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Surface flux density distribution characteristics of bulk high-T c superconductor in external magnetic field
International Nuclear Information System (INIS)
Nishikawa, H.; Torii, S.; Yuasa, K.
This paper describes the measured results of the two-dimensional flux density distribution of a YBCO bulk under applied AC magnetic fields with various frequency. Melt-processed oxide superconductors have been developed in order to obtain strong pinning forces. Various electric mechanical systems or magnetic levitation systems use those superconductors. The major problem is that cracks occur because the bulk superconductors are brittle. The bulk may break in magnetizing process after cracks make superconducting state instable. The trapped flux density and the permanent current characteristics of bulk superconductors have been analyzed, so as to examine the magnetizing processes or superconducting states of the bulk. In those studies, the two-dimensional surface flux density distributions of the bulk in static fields are discussed. On the other hand, the distributions in dynamic fields are little discussed. We attempted to examine the states of the bulk in the dynamic fields, and made a unique experimental device which has movable sensors synchronized with AC applied fields. As a result, the two-dimensional distributions in the dynamic fields are acquired by recombining the one-dimensional distributions. The dynamic states of the flux of the bulk and the influences of directions of cracks are observed from the distributions. In addition, a new method for measuring two-dimensional flux density distribution under dynamic magnetic fields is suggested
Surface flux density distribution characteristics of bulk high-Tc superconductor in external magnetic field
International Nuclear Information System (INIS)
Torii, S.; Yuasa, K.
Various magnetic levitation systems using oxide superconductors are developed as strong pinning forces are obtained in melt-processed bulk. However, the trapped flux of superconductor is moved by flux creep and fluctuating magnetic field. Therefore, to examine the internal condition of superconductor, the authors measure the dynamic surface flux density distribution of YBCO bulk. Flux density measurement system has a structure with the air-core coil and the Hall sensors. Ten Hall sensors are arranged in series. The YBCO bulk, which has 25 mm diameter and 13 mm thickness, is field cooled by liquid nitrogen. After that, magnetic field is changed by the air-core coil. This paper describes about the measured results of flux density distribution of YBCO bulk in the various frequencies of air-core coils currents
Surface flux density distribution characteristics of bulk high- Tc superconductor in external magnetic field
Torii, S.; Yuasa, K.
Various magnetic levitation systems using oxide superconductors are developed as strong pinning forces are obtained in melt-processed bulk. However, the trapped flux of superconductor is moved by flux creep and fluctuating magnetic field. Therefore, to examine the internal condition of superconductor, the authors measure the dynamic surface flux density distribution of YBCO bulk. Flux density measurement system has a structure with the air-core coil and the Hall sensors. Ten Hall sensors are arranged in series. The YBCO bulk, which has 25 mm diameter and 13 mm thickness, is field cooled by liquid nitrogen. After that, magnetic field is changed by the air-core coil. This paper describes about the measured results of flux density distribution of YBCO bulk in the various frequencies of air-core coils currents.
Near-surface bulk densities of asteroids derived from dual-polarization radar observations
Virkki, A.; Taylor, P. A.; Zambrano-Marin, L. F.; Howell, E. S.; Nolan, M. C.; Lejoly, C.; Rivera-Valentin, E. G.; Aponte, B. A.
We present a new method to constrain the near-surface bulk density and surface roughness of regolith on asteroid surfaces using planetary radar measurements. The number of radar observations has increased rapidly during the last five years, allowing us to compare and contrast the radar scattering properties of different small-body populations and compositional types. This provides us with new opportunities to investigate their near-surface physical properties such as the chemical composition, bulk density, porosity, or the structural roughness in the scale of centimeters to meters. Because the radar signal can penetrate into a planetary surface up to a few decimeters, radar can reveal information that is hidden from other ground-based methods, such as optical and infrared measurements. The near-surface structure of asteroids and comets in centimeter-to-meter scale is essential information for robotic and human space missions, impact threat mitigation, and understanding the history of these bodies as well as the formation of the whole Solar System.
Surface flux density distribution characteristics of bulk high-T{sub c} superconductor in external magnetic field
Energy Technology Data Exchange (ETDEWEB)
Torii, S.; Yuasa, K
Various magnetic levitation systems using oxide superconductors are developed as strong pinning forces are obtained in melt-processed bulk. However, the trapped flux of superconductor is moved by flux creep and fluctuating magnetic field. Therefore, to examine the internal condition of superconductor, the authors measure the dynamic surface flux density distribution of YBCO bulk. Flux density measurement system has a structure with the air-core coil and the Hall sensors. Ten Hall sensors are arranged in series. The YBCO bulk, which has 25 mm diameter and 13 mm thickness, is field cooled by liquid nitrogen. After that, magnetic field is changed by the air-core coil. This paper describes about the measured results of flux density distribution of YBCO bulk in the various frequencies of air-core coils currents.
Near surface bulk density estimates of NEAs from radar observations and permittivity measurements of powdered geologic material
Hickson, Dylan; Boivin, Alexandre; Daly, Michael G.; Ghent, Rebecca; Nolan, Michael C.; Tait, Kimberly; Cunje, Alister; Tsai, Chun An
The variations in near-surface properties and regolith structure of asteroids are currently not well constrained by remote sensing techniques. Radar is a useful tool for such determinations of Near-Earth Asteroids (NEAs) as the power of the reflected signal from the surface is dependent on the bulk density, ρbd, and dielectric permittivity. In this study, high precision complex permittivity measurements of powdered aluminum oxide and dunite samples are used to characterize the change in the real part of the permittivity with the bulk density of the sample. In this work, we use silica aerogel for the first time to increase the void space in the samples (and decrease the bulk density) without significantly altering the electrical properties. We fit various mixing equations to the experimental results. The Looyenga-Landau-Lifshitz mixing formula has the best fit and the Lichtenecker mixing formula, which is typically used to approximate planetary regolith, does not model the results well. We find that the Looyenga-Landau-Lifshitz formula adequately matches Lunar regolith permittivity measurements, and we incorporate it into an existing model for obtaining asteroid regolith bulk density from radar returns which is then used to estimate the bulk density in the near surface of NEA's (101955) Bennu and (25143) Itokawa. Constraints on the material properties appropriate for either asteroid give average estimates of ρbd = 1.27 ± 0.33g/cm3 for Bennu and ρbd = 1.68 ± 0.53g/cm3 for Itokawa. We conclude that our data suggest that the Looyenga-Landau-Lifshitz mixing model, in tandem with an appropriate radar scattering model, is the best method for estimating bulk densities of regoliths from radar observations of airless bodies.
Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell
International Nuclear Information System (INIS)
Arora, Swati; Singh, Vinamrita; Arora, Manoj; Pal Tandon, Ram
Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10 12 -10 13 cm -2 eV -1 , which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.
Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell
Energy Technology Data Exchange (ETDEWEB)
Arora, Swati, E-mail: firstname.lastname@example.com [Department of Physics, Zakir Husain College, University of Delhi, Delhi 110002 (India); Singh, Vinamrita [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Arora, Manoj [Department of Physics, Ramjas College, University of Delhi, Delhi 110007 (India); Pal Tandon, Ram [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)
Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10{sup 12}-10{sup 13} cm{sup -2} eV{sup -1}, which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.
Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors
Ryno, Sean
The polarizable environment surrounding charge carriers in organic semiconductors impacts the efficiency of the charge transport process. Here, we consider two representative organic semiconductors, tetracene and rubrene, and evaluate their polarization energies in the bulk and at the organic-vacuum interface using a polarizable force field that accounts for induced-dipole and quadrupole interactions. Though both oligoacenes pack in a herringbone motif, the tetraphenyl substituents on the tetracene backbone of rubrene alter greatly the nature of the packing. The resulting change in relative orientations of neighboring molecules is found to reduce the bulk polarization energy of holes in rubrene by some 0.3 eV when compared to tetracene. The consideration of model organic-vacuum interfaces highlights the significant variation in the electrostatic environment for a charge carrier at a surface although the net change in polarization energy is small; interestingly, the environment of a charge even just one layer removed from the surface can be viewed already as representative of the bulk. Overall, it is found that in these herringbone-type layered crystals the polarization energy has a much stronger dependence on the intralayer packing density than interlayer packing density.
Evolution of Mars' Northern Polar Seasonal CO2 deposits: variations in surface brightness and bulk density
Mount, Christopher P.; Titus, Timothy N.
Small scale variations of seasonal ice are explored at different geomorphic units on the Northern Polar Seasonal Cap (NPSC). We use seasonal rock shadow measurements, combined with visible and thermal observations, to calculate density over time. The coupling of volume density and albedo allows us to determine the microphysical state of the seasonal CO2 ice. We find two distinct endmembers across the NPSC: 1) Snow deposits may anneal to form an overlying slab layer that fractures. These low density deposits maintain relatively constant densities over springtime. 2) Porous slab deposits likely anneal rapidly in early spring and fracture in late spring. These high density deposits dramatically increase in density over time. The endmembers appear to be correlated with latitude.
Reliability of AlGaN/GaN high electron mobility transistors on low dislocation density bulk GaN substrate: Implications of surface step edges
Energy Technology Data Exchange (ETDEWEB)
Killat, N., E-mail: firstname.lastname@example.com, E-mail: firstname.lastname@example.com; Montes Bajo, M.; Kuball, M., E-mail: email@example.com, E-mail: email@example.com [Center for Device Thermography and Reliability (CDTR), H.H. Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Paskova, T. [Kyma Technologies, Inc., Raleigh, North Carolina 27617 (United States); Materials Science and Engineering Department, North Carolina State University, Raleigh, North Carolina 27695 (United States); Evans, K. R. [Kyma Technologies, Inc., Raleigh, North Carolina 27617 (United States); Leach, J. [Kyma Technologies, Inc., Raleigh, North Carolina 27617 (United States); Electrical and Computer Engineering Department, Virginia Commonwealth University, Richmond, Virginia 23284 (United States); Li, X.; Özgür, Ü.; Morkoç, H. [Electrical and Computer Engineering Department, Virginia Commonwealth University, Richmond, Virginia 23284 (United States); Chabak, K. D.; Crespo, A.; Gillespie, J. K.; Fitch, R.; Kossler, M.; Walker, D. E.; Trejo, M.; Via, G. D.; Blevins, J. D. [Air Force Research Laboratory, Wright-Patterson Air Force Base, Dayton, Ohio 45433 (United States)
To enable gaining insight into degradation mechanisms of AlGaN/GaN high electron mobility transistors, devices grown on a low-dislocation-density bulk-GaN substrate were studied. Gate leakage current and electroluminescence (EL) monitoring revealed a progressive appearance of EL spots during off-state stress which signify the generation of gate current leakage paths. Atomic force microscopy evidenced the formation of semiconductor surface pits at the failure location, which corresponds to the interaction region of the gate contact edge and the edges of surface steps.
Theory of bulk-surface coupling in topological insulator films
Saha, Kush; Garate, Ion
We present a quantitative microscopic theory of the disorder- and phonon-induced coupling between surface and bulk states in doped topological insulator films. We find a simple mathematical structure for the surface-to-bulk scattering matrix elements and confirm the importance of bulk-surface coupling in transport and photoemission experiments, assessing its dependence on temperature, carrier density, film thickness, and particle-hole asymmetry.
On-surface synthesis on a bulk insulator surface
Richter, Antje; Floris, Andrea; Bechstein, Ralf; Kantorovich, Lev; Kühnle, Angelika
On-surface synthesis has rapidly emerged as a most promising approach to prepare functional molecular structures directly on a support surface. Compared to solution synthesis, performing chemical reactions on a surface offers several exciting new options: due to the absence of a solvent, reactions can be envisioned that are otherwise not feasible due to the insolubility of the reaction product. Perhaps even more important, the confinement to a two-dimensional surface might enable reaction pathways that are not accessible otherwise. Consequently, on-surface synthesis has attracted great attention in the last decade, with an impressive number of classical reactions transferred to a surface as well as new reactions demonstrated that have no classical analogue. So far, the majority of the work has been carried out on conducting surfaces. However, when aiming for electronic decoupling of the resulting structures, e.g. for the use in future molecular electronic devices, non-conducting surfaces are highly desired. Here, we review the current status of on-surface reactions demonstrated on the (10.4) surface of the bulk insulator calcite. Besides thermally induced C-C coupling of halogen-substituted aryls, photochemically induced [2 + 2] cycloaddition has been proven possible on this surface. Moreover, experimental evidence exists for coupling of terminal alkynes as well as diacetylene polymerization. While imaging of the resulting structures with dynamic atomic force microscopy provides a direct means of reaction verification, the detailed reaction pathway often remains unclear. Especially in cases where the presence of metal atoms is known to catalyze the corresponding solution chemistry reaction (e.g. in the case of the Ullmann reaction), disclosing the precise reaction pathway is of importance to understand and generalize on-surface reactivity on a bulk insulator surface. To this end, density-functional theory calculations have proven to provide atomic
Bulk density and porosity distributions in a compost pile
Ginkel, van J.T.; Raats, P.A.C.; Haneghem, van I.A.
This paper mainly deals with the description of the initial distribution of bulk density and porosity at the moment a compost pile is built or rebuilt. A relationship between bulk density and vertical position in a pile is deduced from theoretical and empirical considerations. Formulae to calculate
Bulk density calculations from prompt gamma ray yield
International Nuclear Information System (INIS)
Naqvi, A.A.; Nagadi, M.M.; Al-Amoudi, O.S.B.; Maslehuddin, M.
Full text: The gamma ray yield from a Prompt Gamma ray Neutron Activation Analysis (PGNAA) setup is a linear function of element concentration and neutron flux in a the sample with constant bulk density. If the sample bulk density varies as well, then the element concentration and the neutron flux has a nonlinear correlation with the gamma ray yield [1]. The measurement of gamma ray yield non-linearity from samples and a standard can be used to estimate the bulk density of the samples. In this study the prompt gamma ray yield from Blast Furnace Slag, Fly Ash, Silica Fumes and Superpozz cements samples have been measured as a function of their calcium and silicon concentration using KFUPM accelerator-based PGNAA setup [2]. Due to different bulk densities of the blended cement samples, the measured gamma ray yields have nonlinear correlation with calcium and silicon concentration of the samples. The non-linearity in the yield was observed to increase with gamma rays energy and element concentration. The bulk densities of the cement samples were calculated from ratio of gamma ray yield from blended cement and that from a Portland cement standard. The calculated bulk densities have good agreement with the published data. The result of this study will be presented
Is the bulk mode conversion important in high density helicon plasma?
Energy Technology Data Exchange (ETDEWEB)
Isayama, Shogo; Hada, Tohru [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasuga-Kohen, Kasuga, Fukuoka 816-8580 (Japan); Shinohara, Shunjiro [Institute of Engineering, Tokyo University of Agriculture and Technology, 2-24-16, Naka-cho, Koganei, Tokyo 184-8588 (Japan); Tanikawa, Takao [Research Institute of Science and Technology, Tokai University 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan)
In a high-density helicon plasma production process, a contribution of Trivelpiece-Gould (TG) wave for surface power deposition is widely accepted. The TG wave can be excited either due to an abrupt density gradient near the plasma edge (surface conversion) or due to linear mode conversion from the helicon wave in a density gradient in the bulk region (bulk mode conversion). By numerically solving the boundary value problem of linear coupling between the helicon and the TG waves in a background with density gradient, we show that the efficiency of the bulk mode conversion strongly depends on the dissipation included in the plasma, and the bulk mode conversion is important when the dissipation is small. Also, by performing FDTD simulation, we show the time evolution of energy flux associated with the helicon and the TG waves.
Nonlinear AC susceptibility, surface and bulk shielding
van der Beek, C. J.; Indenbom, M. V.; D'Anna, G.; Benoit, W.
We calculate the nonlinear AC response of a thin superconducting strip in perpendicular field, shielded by an edge current due to the geometrical barrier. A comparison with the results for infinite samples in parallel field, screened by a surface barrier, and with those for screening by a bulk current in the critical state, shows that the AC response due to a barrier has general features that are independent of geometry, and that are significantly different from those for screening by a bulk current in the critical state. By consequence, the nonlinear (global) AC susceptibility can be used to determine the origin of magnetic irreversibility. A comparison with experiments on a Bi 2Sr 2CaCu 2O 8+δ crystal shows that in this material, the low-frequency AC screening at high temperature is mainly due to the screening by an edge current, and that this is the unique source of the nonlinear magnetic response at temperatures above 40 K.
Organic carbon organic matter and bulk density relationships in arid ...
African Journals Online (AJOL)
Soil organic matter (SOM) and soil organic carbon (SOC) constitute usually a small portion of soil, but they are one of the most important components of ecosystems. Bulk density (dB or BD) value is necessary to convert organic carbon (OC) content per unit area. Relationships between SOM, SOC and BD were established ...
Estimating forest canopy bulk density using six indirect methods
Robert E. Keane; Elizabeth D. Reinhardt; Joe Scott; Kathy Gray; James Reardon
Canopy bulk density (CBD) is an important crown characteristic needed to predict crown fire spread, yet it is difficult to measure in the field. Presented here is a comprehensive research effort to evaluate six indirect sampling techniques for estimating CBD. As reference data, detailed crown fuel biomass measurements were taken on each tree within fixed-area plots...
Estimating Soil Bulk Density and Total Nitrogen from Catchment ...
African Journals Online (AJOL)
Even though data on soil bulk density (BD) and total nitrogen (TN) are essential for planning modern farming techniques, their data availability is limited for many applications in the developing word. This study is designed to estimate BD and TN from soil properties, land-use systems, soil types and landforms in the ...
Enhancement of surface magnetism due to bulk bond dilution
International Nuclear Information System (INIS)
Tsallis, C.; Sarmento, E.F.; Albuquerque, E.L. de
Within a renormalization group scheme, the phase diagram of a semi-infinite simple cubic Ising ferromagnet is discussed, with arbitrary surface and bulk coupling constants, and including possible dilution of the bulk bonds. It is obtained that dilution makes easier the appearance of surface magnetism in the absence of bulk magnetism. (Author) [pt
Bulk water freezing dynamics on superhydrophobic surfaces
Chavan, S.; Carpenter, J.; Nallapaneni, M.; Chen, J. Y.; Miljkovic, N.
In this study, we elucidate the mechanisms governing the heat-transfer mediated, non-thermodynamic limited, freezing delay on non-wetting surfaces for a variety of characteristic length scales, Lc (volume/surface area, 3 mm commercial superhydrophobic spray coatings, showing a monotonic increase in freezing time with coating thickness. The added thermal resistance of thicker coatings was much larger than that of the nanoscale superhydrophobic features, which reduced the droplet heat transfer and increased the total freezing time. Transient finite element method heat transfer simulations of the water slab freezing process were performed to calculate the overall heat transfer coefficient at the substrate-water/ice interface during freezing, and shown to be in the range of 1-2.5 kW/m2K for these experiments. The results shown here suggest that in order to exploit the heat-transfer mediated freezing delay, thicker superhydrophobic coatings must be deposited on the surface, where the coating resistance is comparable to the bulk water/ice conduction resistance.
Grain bulk density measurement based on wireless network
Directory of Open Access Journals (Sweden)
Wu Fangming
Full Text Available To know the accurate quantity of stored grain, grain density sensors must be used to measure the grain's bulk density. However, multi-sensors should be inserted into the storage facility, to quickly collect data during the inventory checking of stored grain. In this study, the ZigBee and Wi-Fi coexistence network's ability to transmit data collected by density sensors was investigated. A system consisting of six sensor nodes, six router nodes, one gateway and one Android Pad was assembled to measure the grain's bulk density and calculate its quantity. The CC2530 chip with ZigBee technology was considered as the core of the information processing, and wireless nodes detection in sensor, and router nodes. ZigBee worked in difference signal channel with Wi-Fi to avoid interferences and connected with Wi-Fi module by UART serial communications interfaces in gateway. The Android Pad received the measured data through the gateway and processed this data to calculate quantity. The system enabled multi-point and real-time parameter detection inside the grain storage. Results show that the system has characteristics of good expansibility, networking flexibility and convenience.
Photoelectron spectroscopy bulk and surface electronic structures
Suga, Shigemasa
Photoelectron spectroscopy is now becoming more and more required to investigate electronic structures of various solid materials in the bulk, on surfaces as well as at buried interfaces. The energy resolution was much improved in the last decade down to 1 meV in the low photon energy region. Now this technique is available from a few eV up to 10 keV by use of lasers, electron cyclotron resonance lamps in addition to synchrotron radiation and X-ray tubes. High resolution angle resolved photoelectron spectroscopy (ARPES) is now widely applied to band mapping of materials. It attracts a wide attention from both fundamental science and material engineering. Studies of the dynamics of excited states are feasible by time of flight spectroscopy with fully utilizing the pulse structures of synchrotron radiation as well as lasers including the free electron lasers (FEL). Spin resolved studies also made dramatic progress by using higher efficiency spin detectors and two dimensional spin detectors. Polarization depend...
A density gradient theory based method for surface tension calculations
DEFF Research Database (Denmark)
Liang, Xiaodong; Michelsen, Michael Locht; Kontogeorgis, Georgios
The density gradient theory has been becoming a widely used framework for calculating surface tension, within which the same equation of state is used for the interface and bulk phases, because it is a theoretically sound, consistent and computationally affordable approach. Based on the observation...... that the optimal density path from the geometric mean density gradient theory passes the saddle point of the tangent plane distance to the bulk phases, we propose to estimate surface tension with an approximate density path profile that goes through this saddle point. The linear density gradient theory, which...... assumes linearly distributed densities between the two bulk phases, has also been investigated. Numerical problems do not occur with these density path profiles. These two approximation methods together with the full density gradient theory have been used to calculate the surface tension of various...
A two-population sporadic meteoroid bulk density distribution and its implications for environment models
Moorhead, Althea V.; Blaauw, Rhiannon C.; Moser, Danielle E.; Campbell-Brown, Margaret D.; Brown, Peter G.; Cooke, William J.
The bulk density of a meteoroid affects its dynamics in space, its ablation in the atmosphere, and the damage it does to spacecraft and lunar or planetary surfaces. Meteoroid bulk densities are also notoriously difficult to measure, and we are typically forced to assume a density or attempt to measure it via a proxy. In this paper, we construct a density distribution for sporadic meteoroids based on existing density measurements. We considered two possible proxies for density: the KB parameter introduced by Ceplecha and Tisserand parameter, TJ. Although KB is frequently cited as a proxy for meteoroid material properties, we find that it is poorly correlated with ablation-model-derived densities. We therefore follow the example of Kikwaya et al. in associating density with the Tisserand parameter. We fit two density distributions to meteoroids originating from Halley-type comets (TJ 2); the resulting two-population density distribution is the most detailed sporadic meteoroid density distribution justified by the available data. Finally, we discuss the implications for meteoroid environment models and spacecraft risk assessments. We find that correcting for density increases the fraction of meteoroid-induced spacecraft damage produced by the helion/antihelion source.
Concentration polarization, surface currents, and bulk advection in a microchannel
DEFF Research Database (Denmark)
Nielsen, Christoffer Peder; Bruus, Henrik
. A remarkable outcome of the investigations is the discovery of strong couplings between bulk advection and the surface current; without a surface current, bulk advection is strongly suppressed. The numerical simulations are supplemented by analytical models valid in the long channel limit as well...... as in the limit of negligible surface charge. By including the effects of diffusion and advection in the diffuse part of the electric double layers, we extend a recently published analytical model of overlimiting current due to surface conduction....
Soil bulk density changes caused by mechanized harvesting: A case study in central Appalachia
Jingxin Wang; Chris B. LeDoux; Pam Edwards; Mark Jones; Mark Jones
A mechanized harvesting system consisting of a feller-buncher and a grapple skidder was examined to quantify soil bulk density changes in a central Appalachian hardwood forest site. Soil bulk density was measured using a nuclear gauge pre-harvest and post-harvest systematically across the harvest unit and on transects across skid trails. Bulk density also was measured...
Bulk contribution to magnetotransport properties of low-defect-density Bi2Te3 topological insulator thin films
Ngabonziza, P.; Wang, Y.; Brinkman, A.
An important challenge in the field of topological materials is to carefully disentangle the electronic transport contribution of the topological surface states from that of the bulk. For Bi2Te3 topological insulator samples, bulk single crystals and thin films exposed to air during fabrication processes are known to be bulk conducting, with the chemical potential in the bulk conduction band. For Bi2Te3 thin films grown by molecular beam epitaxy, we combine structural characterization (transmission electron microscopy), chemical surface analysis as function of time (x-ray photoelectron spectroscopy) and magnetotransport analysis to understand the low defect density and record high bulk electron mobility once charge is doped into the bulk by surface degradation. Carrier densities and electronic mobilities extracted from the Hall effect and the quantum oscillations are consistent and reveal a large bulk carrier mobility. Because of the cylindrical shape of the bulk Fermi surface, the angle dependence of the bulk magnetoresistance oscillations is two dimensional in nature.
Bulk density and aggregate stability assays in percolation columns
Directory of Open Access Journals (Sweden)
М. М. Хордан
Full Text Available The restoration technologies in areas degraded by extractive activities require the use of their own mine spoils. Reducing deficiencies in physical properties, organic matter, and nutrients with a contribution of treated sewage sludge is proposed. This experiment was based on a controlled study using columns. The work was done with two mine spoils, both very rich in calcium carbonate. Two sewage sludge doses were undertaken (30,000 and 90,000 kg/ha of sewage sludge in addition to a different mine spoils used as restoration substrates. The water contribution was provided by a device that simulated short duration rain. The leached water was collected 24 hours after the last application. The experiment saw the bulk density decrease and the aggregate stability increase, thereby improving the structure. The improved soil structure decreases its vulnerability to degradation processes such as erosion and compaction.
Pseudopotentials for calculating the bulk and surface properties of solids
International Nuclear Information System (INIS)
Cohen, M.L.
A survey is presented describing research in condensed matter physics using pseudopotentials to calculate electronic, structural, and vibrational properties of solids. Semiconductors are emphasized, and both bulk and surface calculations are discussed. (author) [pt
Palladium diffusion into bulk copper via the (100) surface
Energy Technology Data Exchange (ETDEWEB)
Bussmann, E; Kellogg, G L [Sandia National Laboratories, Albuquerque, NM 87185 (United States); Sun, J; Pohl, K [Department of Physics and Materials Science Program, University of New Hampshire, Durham, NH 03824 (United States)
Using low-energy electron microscopy, we measure the diffusion of Pd into bulk Cu at the Cu(100) surface. Interdiffusion is tracked by measuring the dissolution of the Cu(100)-c(2 x 2)-Pd surface alloy during annealing (T>240 deg. C). The activation barrier for Pd diffusion from the surface alloy into the bulk is determined to be (1.8 +- 0.6) eV. During annealing, we observe the growth of a new layer of Cu near step edges. Under this new Cu layer, dilute Pd remaining near the surface develops a layered structure similar to the Cu{sub 3}Pd L 1{sub 2} bulk alloy phase.
Method of measuring surface density
International Nuclear Information System (INIS)
Gregor, J.
A method is described of measuring surface density or thickness, preferably of coating layers, using radiation emitted by a suitable radionuclide, e.g., 241 Am. The radiation impinges on the measured material, e.g., a copper foil and in dependence on its surface density or thickness part of the flux of impinging radiation is reflected and part penetrates through the material. The radiation which has penetrated through the material excites in a replaceable adjustable backing characteristic radiation of an energy close to that of the impinging radiation (within +-30 keV). Part of the flux of the characteristic radiation spreads back to the detector, penetrates through the material in which in dependence on surface density or thickness of the coating layer it is partly absorbed. The flux of the penetrated characteristic radiation impinging on the face of the detector is a function of surface density or thickness. Only that part of the energy is evaluated of the energy spectrum which corresponds to the energy of characteristic radiation. (B.S.)
Effects of bulk charged impurities on the bulk and surface transport in three-dimensional topological insulators
Energy Technology Data Exchange (ETDEWEB)
Skinner, B.; Chen, T.; Shklovskii, B. I., E-mail: email@example.com [University of Minnesota, Fine Theoretical Physics Institute (United States)
In the three-dimensional topological insulator (TI), the physics of doped semiconductors exists literally side-by-side with the physics of ultrarelativistic Dirac fermions. This unusual pairing creates a novel playground for studying the interplay between disorder and electronic transport. In this mini-review, we focus on the disorder caused by the three-dimensionally distributed charged impurities that are ubiquitous in TIs, and we outline the effects it has on both the bulk and surface transport in TIs. We present self-consistent theories for Coulomb screening both in the bulk and at the surface, discuss the magnitude of the disorder potential in each case, and present results for the conductivity. In the bulk, where the band gap leads to thermally activated transport, we show how disorder leads to a smaller-than-expected activation energy that gives way to variable-range hopping at low temperatures. We confirm this enhanced conductivity with numerical simulations that also allow us to explore different degrees of impurity compensation. For the surface, where the TI has gapless Dirac modes, we present a theory of disorder and screening of deep impurities, and we calculate the corresponding zero-temperature conductivity. We also comment on the growth of the disorder potential in passing from the surface of the TI into the bulk. Finally, we discuss how the presence of a gap at the Dirac point, introduced by some source of time-reversal symmetry breaking, affects the disorder potential at the surface and the mid-gap density of states.
Effects of bulk charged impurities on the bulk and surface transport in three-dimensional topological insulators
International Nuclear Information System (INIS)
Skinner, B.; Chen, T.; Shklovskii, B. I.
In the three-dimensional topological insulator (TI), the physics of doped semiconductors exists literally side-by-side with the physics of ultrarelativistic Dirac fermions. This unusual pairing creates a novel playground for studying the interplay between disorder and electronic transport. In this mini-review, we focus on the disorder caused by the three-dimensionally distributed charged impurities that are ubiquitous in TIs, and we outline the effects it has on both the bulk and surface transport in TIs. We present self-consistent theories for Coulomb screening both in the bulk and at the surface, discuss the magnitude of the disorder potential in each case, and present results for the conductivity. In the bulk, where the band gap leads to thermally activated transport, we show how disorder leads to a smaller-than-expected activation energy that gives way to variable-range hopping at low temperatures. We confirm this enhanced conductivity with numerical simulations that also allow us to explore different degrees of impurity compensation. For the surface, where the TI has gapless Dirac modes, we present a theory of disorder and screening of deep impurities, and we calculate the corresponding zero-temperature conductivity. We also comment on the growth of the disorder potential in passing from the surface of the TI into the bulk. Finally, we discuss how the presence of a gap at the Dirac point, introduced by some source of time-reversal symmetry breaking, affects the disorder potential at the surface and the mid-gap density of states
The determination of bulk (apparent) density of plant fibres by density method
International Nuclear Information System (INIS)
Sharifah Hanisah Syed Abd Aziz; Raja Jamal Raja hedar; Zahid Abdullah
The absolute density of plant fibres excludes all pores and lumen and therefore is a measure of the solid matter of the fibres. On the other hand the bulk density, which is being discussed here, includes all the solid matter and the pores of the fibres. In this work, the apparent density of the fibre was measured by using the Archimedes principle, which involves the immersion of a known weight of fibre into a solvent of lower density than the fibre. Toluene with a density of about 860 kg/m3 was chosen as a solvent. A tuft of fibre was weighed and recorded as W fa . The fibre was then immersed in toluene, which wetted the fibre, and made to rest on the weighing pan submerged in the solvent and the weight of the immersed fibre was recorded as W fs . The apparent density was then calculated using the equation. All the measurements were taken at room temperature. The fibre samples were not oven dried prior to measurement. (Author)
Bulk-mediated surface diffusion: non-Markovian desorption dynamics
International Nuclear Information System (INIS)
Revelli, Jorge A; Budde, Carlos E; Prato, Domingo; Wio, Horacio S
Here we analyse the dynamics of adsorbed molecules within the bulk-mediated surface diffusion framework, when the particle's desorption mechanism is characterized by a non-Markovian process, while the particle's adsorption as well as its motion in the bulk is governed by Markovian dynamics. We study the diffusion of particles in both semi-infinite and finite cubic lattices, analysing the conditional probability to find the system on the reference absorptive plane as well as the surface dispersion as functions of time. The results are compared with known Markovian cases showing the differences that can be exploited to distinguish between Markovian and non-Markovian desorption mechanisms in experimental situations
Changes in soil bulk density resulting from construction and conventional cable skidding using preplanned skid trails
Jingxin Wang; Chris B. LeDoux; Pam Edwards
A harvesting system consisting of chainsaw felling and cable skidder extraction was studied to determine soil bulk density changes in a central Appalachian hardwood forest site. Soil bulk density was measured using a nuclear gauge preharvest and postharvest systematically across the harvest site, on transects across skid trails, and for a subset of skid trail transects...
Sample sizes to control error estimates in determining soil bulk density in California forest soils
Youzhi Han; Jianwei Zhang; Kim G. Mattson; Weidong Zhang; Thomas A. Weber
Characterizing forest soil properties with high variability is challenging, sometimes requiring large numbers of soil samples. Soil bulk density is a standard variable needed along with element concentrations to calculate nutrient pools. This study aimed to determine the optimal sample size, the number of observation (n), for predicting the soil bulk density with a...
The Relations Between Soil Water Retention Characteristics, Particle Size Distributions, Bulk Densities and Calcium Carbonate Contents for Danish Soils
DEFF Research Database (Denmark)
Jensen, Niels H.; Balstrøm, Thomas; Breuning-Madsen, Henrik
functions developed in HYPRES (Hydraulic Properties of European Soils). Introducing bulk density as a predictor improved the equation for pressure head –1 kPa but not for lower ones. The grouping of data sets in surface and subsurface horizons or in textural classes did not improve the equations. Based...
3D-Laser-Scanning Technique Applied to Bulk Density Measurements of Apollo Lunar Samples
Macke, R. J.; Kent, J. J.; Kiefer, W. S.; Britt, D. T.
In order to better interpret gravimetric data from orbiters such as GRAIL and LRO to understand the subsurface composition and structure of the lunar crust, it is import to have a reliable database of the density and porosity of lunar materials. To this end, we have been surveying these physical properties in both lunar meteorites and Apollo lunar samples. To measure porosity, both grain density and bulk density are required. For bulk density, our group has historically utilized sub-mm bead immersion techniques extensively, though several factors have made this technique problematic for our work with Apollo samples. Samples allocated for measurement are often smaller than optimal for the technique, leading to large error bars. Also, for some samples we were required to use pure alumina beads instead of our usual glass beads. The alumina beads were subject to undesirable static effects, producing unreliable results. Other investigators have tested the use of 3d laser scanners on meteorites for measuring bulk volumes. Early work, though promising, was plagued with difficulties including poor response on dark or reflective surfaces, difficulty reproducing sharp edges, and large processing time for producing shape models. Due to progress in technology, however, laser scanners have improved considerably in recent years. We tested this technique on 27 lunar samples in the Apollo collection using a scanner at NASA Johnson Space Center. We found it to be reliable and more precise than beads, with the added benefit that it involves no direct contact with the sample, enabling the study of particularly friable samples for which bead immersion is not possible
Atomistic simulations of bulk, surface and interfacial polymer properties
Natarajan, Upendra
In chapter I, quasi-static molecular mechanics based simulations are used to estimate the activation energy of phenoxy rings flips in the amorphous region of a semicrystalline polyimide. Intra and intermolecular contributions to the flip activation energy, the torsional cooperativity accompanying the flip, and the effect of the flip on the motion in the glassy bulk state, are looked at. Also, comparison of the weighted mean activation energy is made with experimental data from solid state NMR measurements; the simulated value being 17.5 kcal/mol., while the experimental value was observed to be 10.5 kcal/mol. Chapter II deals with construction of random copolymer thin films of styrene-butadiene (SB) and styrene-butadiene-acrylonitrile (SBA). The structure and properties of the free surfaces presented by these thin films are analysed by, the atom mass density profiles, backbone bond orientation function, and the spatial distribution of acrylonitrile groups and styrene rings. The surface energies of SB and SBA are calculated using an atomistic equation and are compared with experimental data in the literature. In chapter III, simulations of polymer-polymer interfaces between like and unlike polymers, specifically cis-polybutadiene (PBD) and atatic polypropylene (PP), are presented. The structure of an incompatible polymer-polymer interface, and the estimation of the thermodynamic work of adhesion and interfacial energy between different incompatible polymers, form the focus here. The work of adhesion is calculated using an atomistic equation and is further used in a macroscopic equation to estimate the interfacial energy. The interfacial energy is compared with typical values for other immiscible systems in the literature. The interfacial energy compared very well with interfacial energy values for a few other immiscible hydrocarbon pairs. In chapter IV, the study proceeds to look at the interactions between nonpolar and polar small molecules with SB and SBA thin
Bulk ordering and surface segregation in Ni50Pt50
DEFF Research Database (Denmark)
Pourovskii, L.P.; Ruban, Andrei; Abrikosov, I.A.
in the bulk compare well with experimental data. The surface-alloy compositions for the (111) and (110) facets above the ordering transition temperature are also found to be in a good agreement with experiments. It is demonstrated that the segregation profile at the (110) surface of NiPt is mainly caused...... by the unusually strong segregation of Pt into the second layer and the interlayer ordering due to large chemical nearest-neighbor interactions....
Surface and Bulk Nanostructuring of Insulators by Ultrashort Laser Pulses
non perturbative effects leading to HHG. 15. SUBJECT TERMS Nanostructuring of bulk insulators, sub-picosecond electronic and structural events , photo...time, the charge density oscillations follow the time periodicity of the incident radiation. These transient charge oscillations are exclusively due...As in section II photoexcitation and the dielectric response of laser-irradiated diamond are treated in independent particle approximation based on the
A new approach to the problem of bulk-mediated surface diffusion.
Berezhkovskii, Alexander M; Dagdug, Leonardo; Bezrukov, Sergey M
This paper is devoted to bulk-mediated surface diffusion of a particle which can diffuse both on a flat surface and in the bulk layer above the surface. It is assumed that the particle is on the surface initially (at t = 0) and at time t, while in between it may escape from the surface and come back any number of times. We propose a new approach to the problem, which reduces its solution to that of a two-state problem of the particle transitions between the surface and the bulk layer, focusing on the cumulative residence times spent by the particle in the two states. These times are random variables, the sum of which is equal to the total observation time t. The advantage of the proposed approach is that it allows for a simple exact analytical solution for the double Laplace transform of the conditional probability density of the cumulative residence time spent on the surface by the particle observed for time t. This solution is used to find the Laplace transform of the particle mean square displacement and to analyze the peculiarities of its time behavior over the entire range of time. We also establish a relation between the double Laplace transform of the conditional probability density and the Fourier-Laplace transform of the particle propagator over the surface. The proposed approach treats the cases of both finite and infinite bulk layer thicknesses (where bulk-mediated surface diffusion is normal and anomalous at asymptotically long times, respectively) on equal footing.
Electronic structure of bulk AnO{sub 2} (An = U, Np, Pu) and water adsorption on the (111) and (110) surfaces of UO{sub 2} and PuO{sub 2} from hybrid density functional theory within the periodic electrostatic embedded cluster method
Energy Technology Data Exchange (ETDEWEB)
Wellington, Joseph P.W. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Kerridge, Andrew [Department of Chemistry, Lancaster University, Bailrigg, Lancaster LA1 4YP (United Kingdom); Austin, Jonathan [National Nuclear Laboratory, Chadwick House, Warrington Road, Birchwood Park, Warrington WA3 6AE (United Kingdom); Kaltsoyannis, Nikolas, E-mail: firstname.lastname@example.com [School of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom)
Generalised gradient approximation (PBE) and hybrid (PBE0) density functional theory (DFT) within the periodic electrostatic embedded cluster method have been used to study AnO{sub 2} bulk and surfaces (An = U, Np, Pu). The electronic structure has been investigated by examining the projected density of states (PDOS). While PBE incorrectly predicts these systems to be metallic, PBE0 finds them to be insulators, with the composition of the valence and conduction levels agreeing well with experiment. Molecular and dissociative water adsorption on the (111) and (110) surfaces of UO{sub 2} and PuO{sub 2} has been investigated, with that on the (110) surface being stronger than on the (111). Similar energies are found for molecular and dissociative adsorption on the (111) surfaces, while on the (110) there is a clear preference for dissociative adsorption. Adsorption energies and geometries on the (111) surface of UO{sub 2} are in good agreement with recent periodic DFT studies using the GGA+U approach, and our data for dissociative adsorption on the (110) surface of PuO{sub 2} match experiment rather well, especially when dispersion corrections are included. - Graphical abstract: The electronic structures of AnO{sub 2} (An = U, Np, Pu) are studied computationally with hybrid density functional theory, and the geometries and energetics of water adsorption on the low index surfaces are presented.
Nuclear techniques for bulk and surface analysis of materials
International Nuclear Information System (INIS)
D'Agostino, M.D.; Kamykowski, E.A.; Kuehne, F.J.; Padawer, G.M.; Schneid, E.J.; Schulte, R.L.; Stauber, M.C.; Swanson, F.R.
A review is presented summarizing several nondestructive bulk and surface analysis nuclear techniques developed in the Grumman Research Laboratories. Bulk analysis techniques include 14-MeV-neutron activation analysis and accelerator-based neutron radiography. The surface analysis techniques include resonant and non-resonant nuclear microprobes for the depth profile analysis of light elements (H, He, Li, Be, C, N, O and F) in the surface of materials. Emphasis is placed on the description and discussion of the unique nuclear microprobe analytical capacibilities of immediate importance to a number of current problems facing materials specialists. The resolution and contrast of neutron radiography was illustrated with an operating heat pipe system. The figure shows that the neutron radiograph has a resolution of better than 0.04 cm with sufficient contrast to indicate Freon 21 on the inner capillaries of the heat pipe and pooling of the liquid at the bottom. (T.G.)
Surface processing for bulk niobium superconducting radio frequency cavities
Kelly, M. P.; Reid, T.
The majority of niobium cavities for superconducting particle accelerators continue to be fabricated from thin-walled (2-4 mm) polycrystalline niobium sheet and, as a final step, require material removal from the radio frequency (RF) surface in order to achieve performance needed for use as practical accelerator devices. More recently bulk niobium in the form of, single- or large-grain slices cut from an ingot has become a viable alternative for some cavity types. In both cases the so-called damaged layer must be chemically etched or electrochemically polished away. The methods for doing this date back at least four decades, however, vigorous empirical studies on real cavities and more fundamental studies on niobium samples at laboratories worldwide have led to seemingly modest improvements that, when taken together, constitute a substantial advance in the reproducibility for surface processing techniques and overall cavity performance. This article reviews the development of niobium cavity surface processing, and summarizes results of recent studies. We place some emphasis on practical details for real cavity processing systems which are difficult to find in the literature but are, nonetheless, crucial for achieving the good and reproducible cavity performance. New approaches for bulk niobium surface treatment which aim to reduce cost or increase performance, including alternate chemical recipes, barrel polishing and 'nitrogen doping' of the RF surface, continue to be pursued and are closely linked to the requirements for surface processing.
Porosity, Bulk Density, and Volume Reduction During Drying: Review of Measurement Methods and Coefficient Determinations
Qiu, J.; Khalloufi, S.; Martynenko, A.; Dalen, van G.; Schutyser, M.A.I.; Almeida-Rivera, C.
Several experimental methods for measuring porosity, bulk density and volume reduction during drying of foodstuff are available. These methods include among others geometric dimension, volume displacement, mercury porosimeter, micro-CT, and NMR. However, data on their accuracy, sensitivity, and
Development of Low Density CaMg-A1-Based Bulk Metallic Glasses (Preprint)
National Research Council Canada - National Science Library
Senkov, O. N; Scott, J. M; Miracle, D. B
Low density Ca-Mg-Al-based bulk metallic glasses containing additionally Cu and Zn, were produced by a copper mold casting method as wedge-shaped samples with thicknesses varying from 0.5 mm to 10 rom...
Effect of density increase on self-absorption property of bulk samples
International Nuclear Information System (INIS)
Dao Anh Minh; Tran Duc Thiep
Asymptotic behaviour due to self-absorption of photon attenuation function in terms of material density for bulk samples has been considered. Some practical applications have also been presented. (author). 9 refs., 4 figs., 2 tabs
Experimental surface charge density of the Si (100)-2x1H surface
DEFF Research Database (Denmark)
Ciston, J.; Marks, L.D.; Feidenhans'l, R.
We report a three-dimensional charge density refinement from x-ray diffraction intensities of the Si (100) 2x1H surface. By paying careful attention to parameterizing the bulk Si bonding, we are able to locate the hydrogen atoms at the surface, which could not be done previously. In addition, we...
Bulk density estimation using a 3-dimensional image acquisition and analysis system
Directory of Open Access Journals (Sweden)
Heyduk Adam
Full Text Available The paper presents a concept of dynamic bulk density estimation of a particulate matter stream using a 3-d image analysis system and a conveyor belt scale. A method of image acquisition should be adjusted to the type of scale. The paper presents some laboratory results of static bulk density measurements using the MS Kinect time-of-flight camera and OpenCV/Matlab software. Measurements were made for several different size classes.
Tapping of Love waves in an isotropic surface waveguide by surface-to-bulk wave transduction.
Tuan, H.-S.; Chang, C.-P.
A theoretical study of tapping a Love wave in an isotropic microacoustic surface waveguide is given. The surface Love wave is tapped by partial transduction into a bulk wave at a discontinuity. It is shown that, by careful design of the discontinuity, the converted bulk wave power and the radiation pattern may be controlled. General formulas are derived for the calculation of these important characteristics from a relatively general surface contour deformation.
Optical bulk and surface waves with negative refraction
International Nuclear Information System (INIS)
Agranovich, V.M.; Shen, Y.R.; Baughman, R.H.; Zakhidov, A.A.
In materials with negative refraction, the direction of wave propagation is opposite to the direction of the wave vector. Using an approach that characterizes the optical response of a medium totally by a generalized dielectric permittivity, ε-bar (ω,k-bar), we discuss the possibility of seeing negative refraction for optical waves in a number of nonmagnetic media. These include bulk waves in organic materials and in gyrotropic materials where additional exciton-polariton waves can have a negative group velocity. It is known that dispersion of surface waves can be engineered by tailoring a surface transition layer. We show how this effect can be used to obtain surface waves with negative refraction
Directory of Open Access Journals (Sweden)
Henrique Seixas Barros
Full Text Available Under field conditions in the Amazon forest, soil bulk density is difficult to measure. Rigorous methodological criteria must be applied to obtain reliable inventories of C stocks and soil nutrients, making this process expensive and sometimes unfeasible. This study aimed to generate models to estimate soil bulk density based on parameters that can be easily and reliably measured in the field and that are available in many soil-related inventories. Stepwise regression models to predict bulk density were developed using data on soil C content, clay content and pH in water from 140 permanent plots in terra firme (upland forests near Manaus, Amazonas State, Brazil. The model results were interpreted according to the coefficient of determination (R2 and Akaike information criterion (AIC and were validated with a dataset consisting of 125 plots different from those used to generate the models. The model with best performance in estimating soil bulk density under the conditions of this study included clay content and pH in water as independent variables and had R2 = 0.73 and AIC = -250.29. The performance of this model for predicting soil density was compared with that of models from the literature. The results showed that the locally calibrated equation was the most accurate for estimating soil bulk density for upland forests in the Manaus region.
The effects of forward speed and depth of conservation tillage on soil bulk density
Directory of Open Access Journals (Sweden)
A Mahmoudi
Full Text Available Introduction: In recent years, production techniques and equipment have been developed for conservation of tillage systems that have been adopted by many farmers. With proper management, overall yield averages for conventional and reduced tillage systems are nearly identical. Sometimes, field operations can be combined by connecting two or more implements. Combined operations reduce both fuel consumption, and time and labor requirements by eliminating at least one individual trip over the field. Light tillage, spraying, or fertilizing operations can be combined with either primary or secondary tillage or planting operations. Tillage helps seed growth and germination through providing appropriate conditions for soil to absorb sufficient temperature and humidity. Moreover, it helps easier development of root through reducing soil penetration resistance. Tillage is a time-consuming and expensive procedure. With the application of agricultural operations, we can save substantial amounts of fuel, time and energy consumption. Conservation tillage loosens the soil without turning, but by remaining the plant left overs, stems and roots. Bulk density reflects the soil's ability to function for structural support, water and solute movement, and soil aeration. Bulk densities above thresholds indicate impaired function. Bulk density is also used to convert between weight and volume of soil. It is used to express soil physical, chemical and biological measurements on a volumetric basis for soil quality assessment and comparisons between management systems. This increases the validity of comparisons by removing the error associated with differences in soil density at the time of sampling. The aim of conservation tillage is to fix the soil structure. This investigation was carried out considering the advantages of conservation tillage and less scientific research works on imported conservation tillage devices and those which are made inside the country
Bulk-surface relationship of an electronic structure for high-throughput screening of metal oxide catalysts
International Nuclear Information System (INIS)
Kweun, Joshua Minwoo; Li, Chenzhe; Zheng, Yongping; Cho, Maenghyo; Kim, Yoon Young; Cho, Kyeongjae
Graphical abstract: - Highlights: • Bulk-surface relationship was predicted by the ligand field nature of metal oxides. • Antibonding and bonding d-bands occupancy clarified the bulk-surface relationship. • Different surface relaxations were explained by the bulk electronic structures. • Transition from the bulk to the surface state was simulated by oxygen adsorption. - Abstract: Designing metal-oxides consisting of earth-abundant elements has been a crucial issue to replace precious metal catalysts. To achieve efficient screening of metal-oxide catalysts via bulk descriptors rather than surface descriptors, we investigated the relationship between the electronic structure of bulk and that of the surface for lanthanum-based perovskite oxides, LaMO_3 (M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu). Through density functional theory calculations, we examined the d-band occupancy of the bulk and surface transition-metal atoms (n_B_u_l_k and n_S_u_r_f) and the adsorption energy of an oxygen atom (E_a_d_s) on (001), (110), and (111) surfaces. For the (001) surface, we observed strong correlation between the n_B_u_l_k and n_S_u_r_f with an R-squared value over 94%, and the result was interpreted in terms of ligand field splitting and antibonding/bonding level splitting. Moreover, the E_a_d_s on the surfaces was highly correlated with the n_B_u_l_k with an R-squared value of more than 94%, and different surface relaxations could be explained by the bulk electronic structure (e.g., LaMnO_3 vs. LaTiO_3). These results suggest that a bulk-derived descriptor such as n_B_u_l_k can be used to screen metal-oxide catalysts.
Technique of Critical Current Density Measurement of Bulk Superconductor with Linear Extrapolation Method
International Nuclear Information System (INIS)
Adi, Wisnu Ari; Sukirman, Engkir; Winatapura, Didin S.
Technique of critical current density measurement (Jc) of HTc bulk ceramic superconductor has been performed by using linear extrapolation with four-point probes method. The measurement of critical current density HTc bulk ceramic superconductor usually causes damage in contact resistance. In order to decrease this damage factor, we introduce extrapolation method. The extrapolating data show that the critical current density Jc for YBCO (123) and BSCCO (2212) at 77 K are 10,85(6) Amp.cm - 2 and 14,46(6) Amp.cm - 2, respectively. This technique is easier, simpler, and the use of the current flow is low, so it will not damage the contact resistance of the sample. We expect that the method can give a better solution for bulk superconductor application. Key words. : superconductor, critical temperature, and critical current density
Influence of growth temperature on bulk and surface defects in hybrid lead halide perovskite films
Peng, Weina; Anand, Benoy; Liu, Lihong; Sampat, Siddharth; Bearden, Brandon E.; Malko, Anton V.; Chabal, Yves J.
The rapid development of perovskite solar cells has focused its attention on defects in perovskites, which are gradually realized to strongly control the device performance. A fundamental understanding is therefore needed for further improvement in this field. Recent efforts have mainly focused on minimizing the surface defects and grain boundaries in thin films. Using time-resolved photoluminescence spectroscopy, we show that bulk defects in perovskite samples prepared using vapor assisted solution process (VASP) play a key role in addition to surface and grain boundary defects. The defect state density of samples prepared at 150 °C (~1017 cm-3) increases by 5 fold at 175 °C even though the average grains size increases slightly, ruling out grain boundary defects as the main mechanism for the observed differences in PL properties upon annealing. Upon surface passivation using water molecules, the PL intensity and lifetime of samples prepared at 200 °C are only partially improved, remaining significantly lower than those prepared at 150 °C. Thus, the present study indicates that the majority of these defect states observed at elevated growth temperatures originates from bulk defects and underscores the importance to control the formation of bulk defects together with grain boundary and surface defects to further improve the optoelectronic properties of perovskites.The rapid development of perovskite solar cells has focused its attention on defects in perovskites, which are gradually realized to strongly control the device performance. A fundamental understanding is therefore needed for further improvement in this field. Recent efforts have mainly focused on minimizing the surface defects and grain boundaries in thin films. Using time-resolved photoluminescence spectroscopy, we show that bulk defects in perovskite samples prepared using vapor assisted solution process (VASP) play a key role in addition to surface and grain boundary defects. The defect state
Temporary surface passivation for characterisation of bulk defects in silicon : a review
Grant, Nicholas E.; Murphy, John D.
Accurate measurements of the bulk minority carrier lifetime in high-quality silicon materials is challenging due to the influence of surface recombination. Conventional surface passivation processes such as thermal oxidation or dielectric deposition often modify the bulk lifetime significantly before measurement. Temporary surface passivation processes at room or very low temperatures enable a more accurate measurement of the true bulk lifetime, as they limit thermal reconfiguration of bulk d...
Bulk and surface characterization of novel photoresponsive polymeric systems
Venkataramani, Shivshankar
This dissertation presents a detailed characterization of two important classes of photoresponsive polymers-polydiacetylenes (PDAs) and azopolymers. Bulk and surface characterization techniques were used to evaluate the structure-property relationships of the PDAs and surface characterization, in particular-atomic force microscopy (AFM) was used to characterize the azopolymers. PDAs from bis-alkylurethanes of 5,7 dodecadiyn 1,12-diol (viz.,) ETCD, IPUDO and PUDO are of particular interest in view of reports of reversible thermochromic and photochromic phase transitions in these materials. Thermochromism in the above PDAs is associated with a first order phase transition involving expansion of the crystallographic unit cell, the preservation of the urethane hydrogen bonding and possibly some relief of mechanical strain upon heating. Insights into thermochromism obtained from studies of nonthermochromic forms of PDA-ETCD are discussed. Some of the bulk characterization experiments reported In the literature are repeated. The motivation to investigate the surface morphology of the PDA single crystals using AFM was derived from Raman spectroscopy studies of various PDAs in which dispersion of the Raman spectrum indicating surface heterogeneity was observed. Micron scale as well as molecularly resolved images were obtained The micron scale images indicated a variable surface of the crystals. The molecularly resolved images showed a well defined 2-D lattice and are interpreted in terms of known crystallographic data. The surface parameters obtained from AFM measurements are similar to those determined from X-ray diffraction. During an attempt of AFM imaging of IPUDO crystals exposed to 254 nm ultraviolet light, it was observed that these crystals undergo a "macroscopic shattering". In the interest of rigorously defining conditions for photochromism, this research has undertaken a combined study of the surface morphology of the above mentioned PDA crystals by AFM and the
International Nuclear Information System (INIS)
Šafránková, J.; Němeček, Z.; Němec, F.; Přech, L.; Chen, C. H. K.; Zastenker, G. N.
This paper analyzes solar wind power spectra of bulk and thermal speed fluctuations that are computed with a time resolution of 32 ms in the frequency range of 0.001–2 Hz. The analysis uses measurements of the Bright Monitor of the Solar Wind on board the Spektr-R spacecraft that are limited to 570 km s 1 bulk speed. The statistics, based on more than 42,000 individual spectra, show that: (1) the spectra of bulk and thermal speeds can be fitted by two power-law segments; (2) despite their large variations, the parameters characterizing frequency spectrum fits computed on each particular time interval are very similar for both quantities; (3) the median slopes of the bulk and thermal speeds of the segment attributed to the MHD scale are 1.43 and 1.38, respectively, whereas they are 3.08 and 2.43 in the kinetic range; (4) the kinetic range slopes of bulk and thermal speed spectra become equal when either the ion density or magnetic field strength are high; (5) the break between MHD and kinetic scales seems to be controlled by the ion β parameter; (6) the best scaling parameter for bulk and thermal speed variations is a sum of the inertial length and proton thermal gyroradius; and (7) the above conclusions can be applied to the density variations if the background magnetic field is very low.
Energy Technology Data Exchange (ETDEWEB)
Šafránková, J.; Němeček, Z.; Němec, F.; Přech, L. [Charles University, Faculty of Mathematics and Physics, V Holešovičkách 2, 180 00 Prague 8 (Czech Republic); Chen, C. H. K. [Department of Physics, Imperial College London, London SW7 2AZ (United Kingdom); Zastenker, G. N., E-mail: firstname.lastname@example.com [Space Research Institute of Russian Academy of Sciences, Moscow, Russia, Profsoyuznaya ul. 84/32, Moscow 117997 (Russian Federation)
This paper analyzes solar wind power spectra of bulk and thermal speed fluctuations that are computed with a time resolution of 32 ms in the frequency range of 0.001–2 Hz. The analysis uses measurements of the Bright Monitor of the Solar Wind on board the Spektr-R spacecraft that are limited to 570 km s{sup 1} bulk speed. The statistics, based on more than 42,000 individual spectra, show that: (1) the spectra of bulk and thermal speeds can be fitted by two power-law segments; (2) despite their large variations, the parameters characterizing frequency spectrum fits computed on each particular time interval are very similar for both quantities; (3) the median slopes of the bulk and thermal speeds of the segment attributed to the MHD scale are 1.43 and 1.38, respectively, whereas they are 3.08 and 2.43 in the kinetic range; (4) the kinetic range slopes of bulk and thermal speed spectra become equal when either the ion density or magnetic field strength are high; (5) the break between MHD and kinetic scales seems to be controlled by the ion β parameter; (6) the best scaling parameter for bulk and thermal speed variations is a sum of the inertial length and proton thermal gyroradius; and (7) the above conclusions can be applied to the density variations if the background magnetic field is very low.
Food Simulating Organic Solvents for Evaluating Crosslink Density of Bulk Fill Composite Resin
Directory of Open Access Journals (Sweden)
Neveen M. Ayad
Full Text Available Objectives. To evaluate crosslink densities of two bulk fill composite resins and determine if the used Food Simulating Organic Solvent (FSOS affected them. Methods. Forty specimens were prepared from SureFill and SonicFill bulk fill composite resins, 20 each. All specimens were stored dry for 24 h. Each group was divided into 2 subgroups: stored in ethanol (E 75% or in methyl ethyl ketone (MEK 100% for 24 h. Crosslink density was evaluated by calculating the difference between the Vickers hardness numbers of the specimens stored dry and after their storage in FSOS. The data were statistically analyzed using t-test. Results. The means of crosslink density in E and MEK were 6.99% and 9.44% for SureFill and 10.54% and 11.92% for SonicFill, respectively. t-test displayed significant differences between crosslink densities of SureFill and SonicFill: (P<0.0001 in E and (P=0.02 in MEK and between crosslink densities of SureFill in E and MEK (P=0.02. Conclusions. Crosslink density of bulk fill composite resin can be evaluated using E or MEK. SureFill has higher crosslink density than SonicFill in both E and MEK.
Dissociative electron attachment on surfaces and in bulk media
International Nuclear Information System (INIS)
Fabrikant, Ilya I.
A theory of dissociative electron attachment to molecules condensed at surfaces and embedded within bulk media is developed. The theory of low-energy electron diffraction is used to obtain the width for electron-molecule resonance scattering in the condensed phase from the width for the gas phase. It is then employed for the calculation of dissociative attachment in the framework of the nonlocal complex potential theory. Specific calculations using the effective mass approximation are carried out for electron attachment to CH 3 Cl and CF 3 Cl molecules physisorbed on the surface of a Kr film. The role of image states and image-potential resonances is analyzed. The results show an increase by several orders of magnitude in the cross section for physisorbed molecules as compared with gas-phase molecules. This is in general agreement with the measured cross sections. However, the position of the peak in the cross section for CH 3 Cl is significantly shifted towards higher energies as compared to experiment [K. Nagesha et al., J. Chem. Phys. 114, 4934 (2001)], and the magnitude of the calculated cross section for CF 3 Cl at the surface is significantly higher than the measured value. Possible reasons for disagreements are analyzed
Surface current density K: an introduction
DEFF Research Database (Denmark)
McAllister, Iain Wilson
The author discusses the vector surface of current density K used in electrical insulation studies. K is related to the vector tangential electric field Kt at the surface of a body by the vector equation K=ΓE t where Γ represents the surface conductivity. The author derives a surface continuity...
Laser ultrasonics for bulk-density distribution measurement on green ceramic tiles
Revel, G. M.; Cavuto, A.; Pandarese, G.
In this paper a Laser Ultrasonics (LUT) system is developed and applied to measure bulk density distribution of green ceramic tiles, which are porous materials with low heat conductivity. Bulk density of green ceramic bodies is a fundamental parameter to be kept under control in the industrial production of ceramic tiles. The LUT system proposed is based on a Nd:YAG pulsed laser for excitation and an air-coupled electro-capacitive transducer for detection. The paper reports experimental apparent bulk-density measurements on white ceramic bodies after a calibration procedures. The performances observed are better than those previously achieved by authors using air-coupled ultrasonic probes for both emission and detection, allowing to reduce average uncertainty down to about ±6 kg/m3 (±0.3%), thanks to the increase in excitation efficiency and lateral resolution, while maintaining potential flexibility for on-line application. The laser ultrasonic procedure proposed is available for both on-line and off-line application. In this last case it is possible to obtain bulk density maps with high spatial resolution by a 2D scan without interrupting the production process.
Using machine learning to predict soil bulk density on the basis of visual parameters
Bondi, Giulia; Creamer, Rachel; Ferrari, Alessio; Fenton, Owen; Wall, David
Soil structure is a key factor that supports all soil functions. Extracting intact soil cores and horizon specific samples for determination of soil physical parameters (e.g. bulk density (Bd) or particle size distribution) is a common practice for assessing indicators of soil structure. However,
The relationship between the bulk density and the compactibility of lactose granulations was studied. The granulations were prepared from different alpha-lactose monohydrate and roller dried beta-lactose powders by wet granulation, using different techniques with only water as a binder, or by
Surface barrier and bulk pinning in MgB$_2$ superconductor
Pissas, M.; Moraitakis, E.; Stamopoulos, D.; Papavassiliou, G.; Psycharis, V.; Koutandos, S.
We present a modified method of preparation of the new superconductor MgB$_2$. The polycrystalline samples were characterized using x-ray and magnetic measurements. The surface barriers control the isothermal magnetization loops in powder samples. In bulk as prepared samples we always observed symmetric magnetization loops indicative of the presence of a bulk pinning mechanism. Magnetic relaxation measurements in the bulk sample reveal a crossover of surface barrier to bulk pinning.
Understanding the effect of surface/bulk defects on the photocatalytic activity of TiO2: anatase versus rutile.
Yan, Junqing; Wu, Guangjun; Guan, Naijia; Li, Landong; Li, Zhuoxin; Cao, Xingzhong
The sole effect of surface/bulk defects of TiO2 samples on their photocatalytic activity was investigated. Nano-sized anatase and rutile TiO2 were prepared by hydrothermal method and their surface/bulk defects were adjusted simply by calcination at different temperatures, i.e. 400-700 °C. High temperature calcinations induced the growth of crystalline sizes and a decrease in the surface areas, while the crystalline phase and the exposed facets were kept unchanged during calcination, as indicated by the characterization results from XRD, Raman, nitrogen adsorption-desorption, TEM and UV-Vis spectra. The existence of surface/bulk defects in calcined TiO2 samples was confirmed by photoluminescence and XPS spectra, and the surface/bulk defect ratio was quantitatively analyzed according to positron annihilation results. The photocatalytic activity of calcined TiO2 samples was evaluated in the photocatalytic reforming of methanol and the photocatalytic oxidation of α-phenethyl alcohol. Based on the characterization and catalytic results, a direct correlation between the surface specific photocatalytic activity and the surface/bulk defect density ratio could be drawn for both anatase TiO2 and rutile TiO2. The surface defects of TiO2, i.e. oxygen vacancy clusters, could promote the separation of electron-hole pairs under irradiation, and therefore, enhance the activity during photocatalytic reaction.
Independent principal component analysis for simulation of soil water content and bulk density in a Canadian Watershed
Directory of Open Access Journals (Sweden)
Alaba Boluwade
Full Text Available Accurate characterization of soil properties such as soil water content (SWC and bulk density (BD is vital for hydrologic processes and thus, it is importance to estimate θ (water content and ρ (soil bulk density among other soil surface parameters involved in water retention and infiltration, runoff generation and water erosion, etc. The spatial estimation of these soil properties are important in guiding agricultural management decisions. These soil properties vary both in space and time and are correlated. Therefore, it is important to find an efficient and robust technique to simulate spatially correlated variables. Methods such as principal component analysis (PCA and independent component analysis (ICA can be used for the joint simulations of spatially correlated variables, but they are not without their flaws. This study applied a variant of PCA called independent principal component analysis (IPCA that combines the strengths of both PCA and ICA for spatial simulation of SWC and BD using the soil data set from an 11 km2 Castor watershed in southern Quebec, Canada. Diagnostic checks using the histograms and cumulative distribution function (cdf both raw and back transformed simulations show good agreement. Therefore, the results from this study has potential in characterization of water content variability and bulk density variation for precision agriculture.
Investigation of bulk electron densities for dose calculations on cone-beam CT images
International Nuclear Information System (INIS)
Lambert, J.; Parker, J.; Gupta, S.; Hatton, J.; Tang, C.; Capp, A.; Denham, J.W.; Wright, P.
Full text: If cone-beam CT images are to be used for dose calculations, then the images must be able to provide accurate electron density information. Twelve patients underwent twice weekly cone-beam CT scans in addition to the planning CT scan. A standardised 5-field treatment plan was applied to 169 of the CBCT images. Doses were calculated using the original electron density values in the CBCT and with bulk electron densities applied. Bone was assigned a density of 288 HU, and all other tissue was assigned to be water equivalent (0 HU). The doses were compared to the dose calculated on the original planning CT image. Using the original HU values in the cone-beam images, the average dose del i vered by the plans from all 12 patients was I. I % lower than the intended 200 cOy delivered on the original CT plans (standard devia tion 0.7%, maximum difference -2.93%). When bulk electron densities were applied to the cone-beam images, the average dose was 0.3% lower than the original CT plans (standard deviation 0.8%, maximum difference -2.22%). Compared to using the original HU values, applying bulk electron densities to the CBCT images improved the dose calculations by almost I %. Some variation due to natural changes in anatomy should be expected. The application of bulk elec tron densities to cone beam CT images has the potential to improve the accuracy of dose calculations due to inaccurate H U values. Acknowledgements This work was partially funded by Cancer Council NSW Grant Number RG 07-06.
Nuclear matter with a pseudo-particle model: static bulk and surface properties
International Nuclear Information System (INIS)
Idier, D.; Benhassine, B.; Farine, M.; Remaud, B.; Sebille, F.
Direct calculations of cold and hot nuclear matter (bulk and surface properties) are carried out within the frame of a pseudo-particle model using a gaussian decomposition of the distribution function. Comparisons with Hartree-Fock calculations, for a large class of effective interactions, show that such a model is reliable to reproduce accurately the equation of state of nuclear matter for large ranges of densities and temperatures. The number of gaussians per nucleon and the gaussian widths are critical parameters in that semi-classical model. (orig.)
Nuclear matter with pseudo-particle model: static bulk and surface properties
Energy Technology Data Exchange (ETDEWEB)
Idier, D.; Benhassine, B.; Farine, M.; Remaud, B.; Sebille, F.
Direct calculations of cold and hot nuclear matter (bulk and surface properties) are carried out within the frame of a pseudo-particle model using a Gaussian decomposition of the distribution function. Comparisons with Hartree-Fock calculations, for a large class of effective interactions, show that such a model is reliable to reproduce accurately the equation of state of nuclear matter for large ranges of densities and temperatures. The number of Gaussian per nucleon and the Gaussian widths are critical parameters in that semi-classical model. (author) 13 refs.; 9 figs.; 2 tabs.
Nuclear matter with pseudo-particle model: static bulk and surface properties
International Nuclear Information System (INIS)
Idier, D.; Benhassine, B.; Farine, M.; Remaud, B.; Sebille, F.
Direct calculations of cold and hot nuclear matter (bulk and surface properties) are carried out within the frame of a pseudo-particle model using a Gaussian decomposition of the distribution function. Comparisons with Hartree-Fock calculations, for a large class of effective interactions, show that such a model is reliable to reproduce accurately the equation of state of nuclear matter for large ranges of densities and temperatures. The number of Gaussian per nucleon and the Gaussian widths are critical parameters in that semi-classical model. (author) 13 refs.; 9 figs.; 2 tabs
Nuclear matter with a pseudo-particle model: static bulk and surface properties
Energy Technology Data Exchange (ETDEWEB)
Idier, D. (Lab. de Physique Nucleaire CNRS/IN2P3, Univ. de Nantes (France)); Benhassine, B. (Lab. de Physique Nucleaire CNRS/IN2P3, Univ. de Nantes (France)); Farine, M. (Lab. de Physique Nucleaire CNRS/IN2P3, Univ. de Nantes (France)); Remaud, B. (Lab. de Physique Nucleaire CNRS/IN2P3, Univ. de Nantes (France)); Sebille, F. (Lab. de Physique Nucleaire CNRS/IN2P3, Univ. de Nantes (France))
Direct calculations of cold and hot nuclear matter (bulk and surface properties) are carried out within the frame of a pseudo-particle model using a gaussian decomposition of the distribution function. Comparisons with Hartree-Fock calculations, for a large class of effective interactions, show that such a model is reliable to reproduce accurately the equation of state of nuclear matter for large ranges of densities and temperatures. The number of gaussians per nucleon and the gaussian widths are critical parameters in that semi-classical model. (orig.)
Does low surface brightness mean low density?
deBlok, WJG; McGaugh, SS
We compare the dynamical properties of two galaxies at identical positions on the Tully-Fisher relation, but with different surface brightnesses. We find that the low surface brightness galaxy UGC 128 has a higher mass-to-light ratio, and yet has lower mass densities than the high surface brightness
Density and surface tension of ionic liquids.
Kolbeck, C; Lehmann, J; Lovelock, K R J; Cremer, T; Paape, N; Wasserscheid, P; Fröba, A P; Maier, F; Steinrück, H-P
We measured the density and surface tension of 9 bis[(trifluoromethyl)sulfonyl]imide ([Tf(2)N](-))-based and 12 1-methyl-3-octylimidazolium ([C(8)C(1)Im](+))-based ionic liquids (ILs) with the vibrating tube and the pendant drop method, respectively. This comprehensive set of ILs was chosen to probe the influence of the cations and anions on density and surface tension. When the alkyl chain length in the [C(n)C(1)Im][Tf(2)N] series (n = 1, 2, 4, 6, 8, 10, 12) is increased, a decrease in density is observed. The surface tension initially also decreases but reaches a plateau for alkyl chain lengths greater than n = 8. Functionalizing the alkyl chains with ethylene glycol groups results in a higher density as well as a higher surface tension. For the dependence of density and surface tension on the chemical nature of the anion, relations are only found for subgroups of the studied ILs. Density and surface tension values are discussed with respect to intermolecular interactions and surface composition as determined by angle-resolved X-ray photoelectron spectroscopy (ARXPS). The absence of nonvolatile surface-active contaminants was proven by ARXPS.
Surface, interface and bulk materials characterization using Indus synchrotron sources
International Nuclear Information System (INIS)
Phase, Deodatta M.
Synchrotron radiation sources, providing intense, polarized and stable beams of ultra violet, soft and hard x-ray photons, are having great impact on physics, chemistry, biology, materials science and other areas research. In particular synchrotron radiation has revolutionized materials characterization techniques by enhancing its capabilities for investigating the structural, electronic and magnetic properties of solids. The availability of synchrotron sources and necessary instrumentation has led to considerable improvements in spectral resolution and intensities. As a result, application scope of different materials characterization techniques has tremendously increased particularly in the analysis of solid surfaces, interfaces and bulk materials. The Indian synchrotron storage ring, Indus-1 and Indus-2 are in operation at RRCAT, Indore. The UGC-DAE CSR with the help of university scientist had designed and developed an angle integrated photoelectron spectroscopy (AlPES) beam line on Indus-1 storage ring of 450 MeV and polarized light beam line for soft x-ray absorption spectroscopy (SXAS) on Indus-2 storage ring of 2.5 GeV. (author)
Mathematical modelling in simulate bulk density as a function of shrinkage and collapse mechanics during drying of food products
Almeida-Rivera, C.; Khalloufi, S.; Janssen, J.; Bongers, P.M.M.; Pierucci, S.; Buzzi Ferraris, G.
During drying, food products undergo several physical and structural changes. These changes have a direct impact on properties such as bulk density which is involved in heat and mass transfer processes. Therefore, the prediction of the bulk density as function of water content will be an interesting
Evaluation of bulk and surfaces absorption edge energy of sol-gel-dip-coating SnO2 thin films
Directory of Open Access Journals (Sweden)
Emerson Aparecido Floriano
Full Text Available The absorption edge and the bandgap transition of sol-gel-dip-coating SnO2 thin films, deposited on quartz substrates, are evaluated from optical absorption data and temperature dependent photoconductivity spectra. Structural properties of these films help the interpretation of bandgap transition nature, since the obtained nanosized dimensions of crystallites are determinant on dominant growth direction and, thus, absorption energy. Electronic properties of the bulk and (110 and (101 surfaces are also presented, calculated by means of density functional theory applied to periodic calculations at B3LYP hybrid functional level. Experimentally obtained absorption edge is compared to the calculated energy band diagrams of bulk and (110 and (101 surfaces. The overall calculated electronic properties in conjunction with structural and electro-optical experimental data suggest that the nature of the bandgap transition is related to a combined effect of bulk and (101 surface, which presents direct bandgap transition.
Optimising mechanical strength and bulk density of dry ceramic bodies through mixture design
Correia, S. L.; Hotza, D.; Segadães, A. M.
In industrial practice, it is desirable to be able to predict, in an expeditious way, what the effects of a change in raw materials or the proportions thereof might be in the various processing steps towards the final product. When the property of interest is basically determined by the combination (or mixture) of raw materials, an optimisation methodology specific to the design of mixture experiments can be successfully used. In the present study, dry bending strength and bulk density were s...
Neutron Gauge Calibration Curve as Affected by Chloride Concentration and Bulk Density of Loam Soil
International Nuclear Information System (INIS)
AL-Hasani, A.A.; Fahad, A.A.; Shihab, R.M.
chloride concentration and bulk density are considered among important factors affecting calibration curve of neutron gauge in the soil.The aim of this study was to investigate the effect of chloride concentration and bulk density of a loam soil on neutron gauge calibration curve.Sufficient amount of loam soil was air dried screened through a 2 mm sieve,and divided into three equal portions.Sodium chloride of 2.5 and 6.6g kg'-1 soil was added to the first and second portions,respectively.The third portion was left as a control.The soil then moistened and mixed well to make volumetric water content within the range of 0.01 to 0.24 cm 3 cm - 3. The moist soil was packed into an iron drum 0.80 m diameter and 1.00 m height to obtain bulk densities of 1.10 and 1.30 to 1.60 Mg m - 3 for uncompacted soil,respectively.Access tube 0.05 m inner diameter was installed in the center of the drum.Three readings from CPN 503 neutron gauge were taken at each 0.15,0.30, 0.45,and 0.75 m depth.Results indicated that the count (counts/standard count) for an aqueous solution decreased with the increase in chloride concentration.Similarly, the slope of the linear calibration curves of the investigated soil decreased with the increase in chloride concentration.Shifting of the curves was 9 to 10%for the uncompacted soil, whereas it was 12 to 14 % for the compacted of low and high concentration of chloride, respectively . Results of changing bulk density always reduced the slope value as compared with the uncorrected count ratio.
Ab-initio investigation of structural, electronic and optical properties BSb compound in bulk and surface (110 states
Directory of Open Access Journals (Sweden)
H A Badehian
Full Text Available In recent work the structural, electronic and optical properties of BSb compound in bulk and surface (110 states have been studied. Calculations have been performed using Full-Potential Augmented Plane Wave (FP-LAPW method by WIEN2k code in Density Functional Theory (DFT framework. The structural properties of the bulk such as lattice constant, bulk module and elastic constants have been investigated using four different approximations. The band gap energy of the bulk and the (110 surface of BSb were obtained about 1.082 and 0.38 eV respectively. Moreover the surface energy, the work function, the surface relaxation, surface state and the band structure of BSb (110 were investigated using symmetric and stoichiometric 15 layers slabs with the vacuum of 20 Bohr. In addition, the real and imaginary parts of the dielectric function of the bulk and the BSb (110 slab were calculated and compared to each other. Our obtained results have a good agreement with the available results.
Effects of gypsum and bulk density on neutron probe calibration curves
International Nuclear Information System (INIS)
Arslan, Awadis; Razzouk, A.K.
The effects of gypsum and bulk density on the neutron probe calibration curve were studied in the laboratory and in the field. The effect of bulk density was negligible for the soil studied in the laboratory, while it was significant for the field calibration. An increase in the slope of moisture content on a volume basis vs. count ratio with increasing gypsum content at the soil was observed in the laboratory calibration. A simple method for correction of the calibration curve for gypsum content was adopted to obtain a specific curve for each layer. The adapted method requires the gypsum fraction to be estimated for each layer and then incorporated in the calibration curve to improve the coefficient of determination. A field calibration showed an improvement of the determination coefficient by introducing bulk density and gypsum fraction, in addition to count ratio using moisture content on a volume basis as a dependent variable in multi linear regression analysis. The same procedure was successful with variable gravel fractions. (author). 18 refs., 3 figs., 2 tabs
The determination of the bulk density of irradiated samples using a mercury pyknometer
International Nuclear Information System (INIS)
Keep, R.H.; Perks, J.M.
A method for determining the bulk density of fragmented UO 2 specimens in the mass range 1 to 10 g by mercury pyknometry has been developed. The factor limiting the accuracy of the technique in this application is the consistency with which the pyknometer can be filled with mercury; this is dependent on the vacuum obtained in the pyknometer prior to filling. It has been found that this method can be used to determine the density of fragments of UO 2 in the mass range specified to an accuracy of better than +- 0.2% (1σ). (author)
Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties
Energy Technology Data Exchange (ETDEWEB)
Lollobrigida, V. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F. [Istituto Nazionale di Ricerca Metrologica (INRIM), I-10135 Torino (Italy); Borgatti, F. [CNR, Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), I-40129 Bologna (Italy); Torelli, P.; Panaccione, G. [CNR, Istituto Officina dei Materiali (IOM), Lab. TASC, I-34149 Trieste (Italy); Tortora, L. [Laboratorio di Analisi di Superficie, Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Ingegneria Meccanica, Università Tor Vergata, I-00133 Rome (Italy); Stefani, G.; Offi, F. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy)
We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.
Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties
Lollobrigida, V.; Basso, V.; Borgatti, F.; Torelli, P.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Tortora, L.; Stefani, G.; Panaccione, G.; Offi, F.
We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.
Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties
International Nuclear Information System (INIS)
Lollobrigida, V.; Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Borgatti, F.; Torelli, P.; Panaccione, G.; Tortora, L.; Stefani, G.; Offi, F.
We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.
In situ Raman spectroscopy studies of bulk and surface metal
Weckhuysen, B.M.; Wachs, I.E.; Jehng, J.M.; Deo, G.; Guliants, V.V.; Benziger, J.B.
Bulk V-P-O and model supported vanadia catalysts were investigated with in situ Raman spectroscopy during n-butane oxidation to maleic anhydride in order to determine the fundamental molecular structure-reactivity/selectivity insights that can be obtained from such experiments. The in situ Raman
Photon density of states for deformed surfaces
International Nuclear Information System (INIS)
Emig, T
A new approach to the Helmholtz spectrum for arbitrarily shaped boundaries and a rather general class of boundary conditions is introduced. We derive the boundary induced change of the density of states in terms of the free Green's function from which we obtain both perturbative and non-perturbative results for the Casimir interaction between deformed surfaces. As an example, we compute the lateral electrodynamic Casimir force between two corrugated surfaces over a wide parameter range. Universal behaviour, fixed only by the largest wavelength component of the surface shape, is identified at large surface separations. This complements known short distance expansions which are also reproduced
Roles of Bulk and Surface Chemistry in the Oxygen Exchange Kinetics and Related Properties of Mixed Conducting Perovskite Oxide Electrodes
Directory of Open Access Journals (Sweden)
Nicola H. Perry
Full Text Available Mixed conducting perovskite oxides and related structures serving as electrodes for electrochemical oxygen incorporation and evolution in solid oxide fuel and electrolysis cells, respectively, play a significant role in determining the cell efficiency and lifetime. Desired improvements in catalytic activity for rapid surface oxygen exchange, fast bulk transport (electronic and ionic, and thermo-chemo-mechanical stability of oxygen electrodes will require increased understanding of the impact of both bulk and surface chemistry on these properties. This review highlights selected work at the International Institute for Carbon-Neutral Energy Research (I2CNER, Kyushu University, set in the context of work in the broader community, aiming to characterize and understand relationships between bulk and surface composition and oxygen electrode performance. Insights into aspects of bulk point defect chemistry, electronic structure, crystal structure, and cation choice that impact carrier concentrations and mobilities, surface exchange kinetics, and chemical expansion coefficients are emerging. At the same time, an understanding of the relationship between bulk and surface chemistry is being developed that may assist design of electrodes with more robust surface chemistries, e.g., impurity tolerance or limited surface segregation. Ion scattering techniques (e.g., secondary ion mass spectrometry, SIMS, or low energy ion scattering spectroscopy, LEIS with high surface sensitivity and increasing lateral resolution are proving useful for measuring surface exchange kinetics, diffusivity, and corresponding outer monolayer chemistry of electrodes exposed to typical operating conditions. Beyond consideration of chemical composition, the use of strain and/or a high density of active interfaces also show promise for enhancing performance.
Unraveling surface and bulk trap states in lead halide perovskite solar cells using impedance spectroscopy
Han, Changfeng; Wang, Kai; Zhu, Xixiang; Yu, Haomiao; Sun, Xiaojuan; Yang, Qin; Hu, Bin
Organic-inorganic hybrid perovskites (OIHPs) have been widely recognized as an excellent candidate for next-generation photovoltaic materials because of their highly efficient power conversion. Acquiring a complete understanding of trap states and dielectric properties in OIHP-based solar cells at the steady state is highly desirable in order to further explore and improve their optoelectronic functionalities and properties. We report CH3NH3PbI3-x Cl x -based planar solar cells with a power conversion efficiency (PCE) of 15.8%. The illumination intensity dependence of the current density-voltage (J-V) revealed the presence of trap-assisted recombination at low fluences. Non-destructive ac impedance spectroscopy (ac-IS) was applied to characterize the device at the steady state. The capacitance-voltage (C-V) spectra exhibited some distinct variations at a wide range of ac modulation frequencies with and without photo-excitations. Since the frequency-dependent chemical capacitance ({{C}μ }) is concerned with the surface and bulk related density of states (DOS) in CH3NH3PbI3-x Cl x , we verified this by fitting the corresponding DOS by a Gaussian distribution function. We ascertained that the electronic sub-gap trap states present in the solution processed CH3NH3PbI3-x Cl x and their distribution differs from the surface to the bulk. In fact, we demonstrated that both surfaces that were adjacent to the electron and hole transport layers featured analogous DOS. Despite this, photo- and bias-induced giant dielectric responses (i.e. both real and imaginary parts) were detected. A remarkable reduction of {{C}μ } at higher frequencies (i.e. more than 100 kHz) was ascribed to the effect of dielectric loss in CH3NH3PbI3-x Cl x .
Theoretical study on the electronic and optical properties of bulk and surface (001) InxGa1-xAs
Liu, XueFei; Ding, Zhao; Luo, ZiJiang; Zhou, Xun; Wei, JieMin; Wang, Yi; Guo, Xiang; Lang, QiZhi
The optical properties of surface and bulk InxGa1-xAs materials are compared systematically first time in this paper. The band structures, density of states and optical properties including dielectric function, reflectivity, absorption coefficient, loss function and refractive index of bulk and surface InxGa1-xAs materials are investigated by first-principles based on plane-wave pseudo-potentials method within the LDA approximation. The results agree well with the available theoretical and experimental studies and indicate that the electronic and optical properties of bulk and surface InxGa1-xAs materials are much different, and the results show that the considered optical properties of the both materials vary with increasing indium composition in an opposite way. The calculations show that the optical properties of surface In0.75Ga0.25As material are unexpected to be far from the other two indium compositions of surface InxGa1-xAs materials while the optical properties of bulk InxGa1-xAs materials vary with increasing indium composition in an expected regular way.
Bulk density, cone index and water content relations for some Ghanian soils
International Nuclear Information System (INIS)
Agodzo, S.K.; Adama, I.
Correlations were established between water content θ, bulk density ρ and cone index Δ for 4 Ghanaian soils, namely, Kumasi, Akroso, Nta and Offin series. The relationship between Δ and θ is in the form Δ = a θ 2 + b θ + c, where the correlation coefficients r 2 for the various soils were found to be very high. Similarly, Δ - ρ relationships were linear but the correlations got weaker with increasing sand content of the soil, as expected. Soil sample sizes and compaction procedures did not conform to standard procedures, yet the results did not deviate from what pertains when standard procedures are used. (author)
Links between matrix bulk density, macropore characteristics and hydraulic behavior of soils
DEFF Research Database (Denmark)
Katuwal, Sheela; Møldrup, Per; Lamandé, Mathieu
characteristics on soil hydraulic functions has rarely been studied. With the objective of studying the links between these parameters we quantified macropore characteristics of intact soil columns (19 cm diameter x 20 cm high) from two agricultural field sites (Silstrup and Faardrup) in Denmark using coarse...... resolution X-ray CT and linked them with laboratory measurements of air permeability and leaching experiment. In addition to macropore characteristics, we also quantified the CT-number of the matrix as a measure of the bulk density of the matrix, i.e., excluding macropores in the soil. Soils from the two...
Surface and Bulk Nanostructuring of Polymers Using Ionizing Radiation
Energy Technology Data Exchange (ETDEWEB)
Güven, O.; Barsbay, M.; Ateş,; Akbulut, M. [Hacettepe University, Department of Chemistry, Ankara (Turkey)
Ionizing radiation has long been known tobe a powerful tool in modifying and controlled the properties, forms and eventually end-uses of polymeric materials for a variety of applications. Industrial applications are full of successful examples of macro scale, bulk property modifications by radiation. Extremely short wavelength of ionizing radiation however, makes it an important and useful tool in creating very small size structures in polymers.
Surface and Bulk Nanostructuring of Polymers Using Ionizing Radiation
International Nuclear Information System (INIS)
Güven, O.; Barsbay, M.; Ateş; Akbulut, M.
Ionizing radiation has long been known tobe a powerful tool in modifying and controlled the properties, forms and eventually end-uses of polymeric materials for a variety of applications. Industrial applications are full of successful examples of macro scale, bulk property modifications by radiation. Extremely short wavelength of ionizing radiation however, makes it an important and useful tool in creating very small size structures in polymers
DETERMINATION OF SURFACE CHARGE DENSITY OF α ...
African Journals Online (AJOL)
The whole set up was interfaced with a computer for easy data acquisition. It was observed that ... parameters. KEY WORDS: Alumina, Surface charge density, Acid-base titration, Point of zero charge ... For instance, Al2(SO4)3 is used in water ...
Exact analytical density profiles and surface tension
Indian Academy of Sciences (India)
journal of. May 2005 physics pp. 785–801. Classical charged fluids at equilibrium near ... is provided by the excess surface tension for an air–water interface, which is determined ... the potential drop created by the electric layer which appears as soon as the fluid has ...... radii, by symmetry, the charge density profile is flat,.
Predictive Simulation of Process Windows for Powder Bed Fusion Additive Manufacturing: Influence of the Powder Bulk Density.
Rausch, Alexander M; Küng, Vera E; Pobel, Christoph; Markl, Matthias; Körner, Carolin
The resulting properties of parts fabricated by powder bed fusion additive manufacturing processes are determined by their porosity, local composition, and microstructure. The objective of this work is to examine the influence of the stochastic powder bed on the process window for dense parts by means of numerical simulation. The investigations demonstrate the unique capability of simulating macroscopic domains in the range of millimeters with a mesoscopic approach, which resolves the powder bed and the hydrodynamics of the melt pool. A simulated process window reveals the influence of the stochastic powder layer. The numerical results are verified with an experimental process window for selective electron beam-melted Ti-6Al-4V. Furthermore, the influence of the powder bulk density is investigated numerically. The simulations predict an increase in porosity and surface roughness for samples produced with lower powder bulk densities. Due to its higher probability for unfavorable powder arrangements, the process stability is also decreased. This shrinks the actual parameter range in a process window for producing dense parts.
Effects of surface and bulk transverse fields on critical behaviour of ferromagnetic films
International Nuclear Information System (INIS)
Saber, A.; Lo Russo, S.; Mattei, G.
The influence of surface and bulk transverse fields on the critical behaviour of a ferromagnetic Ising film is studied using the effective field theory based on a single-site cluster method. Surface exchange enhancement is considered and a critical value is obtained. The dependence of the critical uniform transverse field on film thickness, phase diagrams in the fields, critical surface transverse field versus the bulk one, and exchange coupling ratio are presented. (author)
Ferromagnetic transitions of a spin-one Ising film in a surface and bulk transverse fields
International Nuclear Information System (INIS)
Saber, A.; Lo Russo, S.; Mattei, G.; Mattoni, A.
Using the effective field theory method, we have calculated the Curie temperature of a spin-one Ising ferromagnetic film in a surface and bulk transverse fields. Numerical calculations give phase diagrams under various parameters. Surface exchange enhancement is considered. The dependence of the critical transverse field on film thickness, and phase diagrams in the fields, critical surface transverse field versus the bulk one are presented
Bulk and surface laser damage of silica by picosecond and nanosecond pulses at 1064 nm
International Nuclear Information System (INIS)
Smith, Arlee V.; Do, Binh T.
We measured bulk and surface dielectric breakdown thresholds of pure silica for 14 ps and 8 ns pulses of 1064 nm light. The thresholds are sharp and reproducible. For the 8 ns pulses the bulk threshold irradiance is 4.75 ± 0.25 kW/μm 2 . The threshold is approximately three times higher for 14 ps pulses. For 8 ns pulses the input surface damage threshold can be made equal to the bulk threshold by applying an alumina or silica surface polish
High current density in bulk YBa2Cu3O/sub x/ superconductor
International Nuclear Information System (INIS)
Salama, K.; Selvamanickam, V.; Gao, L.; Sun, K.
A liquid phase processing method for the fabrication of bulk YBa 2 Cu 3 O/sub x/ superconductors with large current carrying capacity has been developed. Slow cooling through the peritectic transformation (1030--980 degree C) has been shown to control the microstructure of these superconductors. A cooling rate of 1 degree C/h in this temperature range has yielded a microstructure with long plate type, thick grains oriented over a wide area. Current density up to 18 500 A/cm 2 has been obtained by continuous direct current measurements and in excess of 62 000 A/cm 2 with pulse current of 10 ms duration and 75 000 A/cm 2 using 1 ms pulse. The strong magnetic field dependence observed in sintered bulk 1-2-3 superconductors is also minimized to a large extent where a current density in excess of 37 000 A/cm 2 is obtained in a field of 6000 G
Density functional theory study of bulk and single-layer magnetic semiconductor CrPS4
Zhuang, Houlong L.; Zhou, Jia
Searching for two-dimensional (2D) materials with multifunctionality is one of the main goals of current research in 2D materials. Magnetism and semiconducting are certainly two desirable functional properties for a single 2D material. In line with this goal, here we report a density functional theory (DFT) study of bulk and single-layer magnetic semiconductor CrPS4. We find that the ground-state magnetic structure of bulk CrPS4 exhibits the A-type antiferromagnetic ordering, which transforms to ferromagnetic (FM) ordering in single-layer CrPS4. The calculated formation energy and phonon spectrum confirm the stability of single-layer CrPS4. The band gaps of FM single-layer CrPS4 calculated with a hybrid density functional are within the visible-light range. We also study the effects of FM ordering on the optical absorption spectra and band alignments for water splitting, indicating that single-layer CrPS4 could be a potential photocatalyst. Our work opens up ample opportunities of energy-related applications of single-layer CrPS4.
How accurate are pedotransfer functions for bulk density for Brazilian soils?
Directory of Open Access Journals (Sweden)
Raquel Stucchi Boschi
Full Text Available ABSTRACT: The aim of this study was to evaluate the performance of pedotransfer functions (PTFs available in the literature to estimate soil bulk density (ρb in different regions of Brazil, using different metrics. The predictive capacity of 25 PTFs was evaluated using the mean absolute error (MAE, mean error (ME, root mean squared error (RMSE, coefficient of determination (R2 and the regression error characteristic (REC curve. The models performed differently when comparing observed and estimated ρb values. In general, the PTFs showed a performance close to the mean value of the bulk density data, considered as the simplest possible estimation of an attribute and used as a parameter to compare the performance of existing models (null model. The models developed by Benites et al. (2007 (BEN-C and by Manrique and Jones (1991 (M&J-B presented the best results. The separation of data into two layers according to depth (0-10 cm and 10-30 cm demonstrated better performance in the 10-30 cm layer. The REC curve allowed for a simple and visual evaluation of the PTFs.
Bulk and surface loss in superconducting transmon qubits
International Nuclear Information System (INIS)
Dial, Oliver; McClure, Douglas T; Poletto, Stefano; Keefe, G A; Rothwell, Mary Beth; Gambetta, Jay M; Abraham, David W; Chow, Jerry M; Steffen, Matthias
Decoherence of superconducting transmon qubits is purported to be consistent with surface loss from two-level systems on the substrate surface. Here, we present a study of surface loss in transmon devices, explicitly designed to have varying sensitivities to different surface loss contributors. Our experiments also encompass two particular different sapphire substrates, which reveal the onset of a yet unknown additional loss mechanism outside of surface loss for one of the substrates. Tests across different wafers and devices demonstrate substantial variation, and we emphasize the importance of testing large numbers of devices for disentangling different sources of decoherence. (paper)
Energy Technology Data Exchange (ETDEWEB)
Nikolov, N; Schunck, N; Nazarewicz, W; Bender, M; Pei, J
We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band-heads in Hg and Pb isotopes, and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear energy density functionals. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface-symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutron-rich matter and description of fission rates for r-process nucleosynthesis.
Scattered surface charge density: A tool for surface characterization
Naydenov, Borislav; Mantega, Mauro; Rungger, Ivan; Sanvito, Stefano; Boland, John J.
We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.
Scattered surface charge density: A tool for surface characterization
Naydenov, Borislav
We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.
Anisotropy and intergrain current density in oriented grained bulk YBa2Cu3Ox superconductor
International Nuclear Information System (INIS)
Selvamanickam, V.; Salama, K.
The intergrain transport current density and its anisotropy have been studied in oriented grained bulk YBa 2 Cu 3 O x superconductors fabricated by the liquid phase processing method. Current density measurements were performed on oriented grained samples with the transport current aligned at different angles to the a-b plane. In these measurements, the transport current passed through several oriented grain boundaries. The results indicate that the critical current density drops rapidly when the transport current flows at small angles to the a-b plane and then decreases slowly at larger angles. At 77 K and zero magnetic field, an anisotropy ratio of about 25 is observed between J c along a-b plane and that perpendicular to the plane. Further, the critical current density in these samples is found to depend weakly on magnetic field even though the current crosses grain boundaries. These results support the notion that grain boundaries of these superconductors are different in nature from those of solid-state sintered samples.
Multilayered nanoclusters of platinum and gold: insights on electrodeposition pathways, electrocatalysis, surface and bulk compositional properties
CSIR Research Space (South Africa)
Mkwizu, TS
Full Text Available Electrochemical, surface and bulk compositional properties of multilayered nanoclusters of Pt and Au, electrochemically deposited on glassy carbon under conditions involving sequential surface–limited redox–replacement reactions (performed at open...
Quantum effects on propagation of bulk and surface waves in a thin quantum plasma film
International Nuclear Information System (INIS)
Moradi, Afshin
The propagation of bulk and surface plasma waves in a thin quantum plasma film is investigated, taking into account the quantum effects. The generalized bulk and surface plasma dispersion relation due to quantum effects is derived, using the quantum hydrodynamic dielectric function and applying appropriate additional boundary conditions. The quantum mechanical and film geometric effects on the bulk and surface modes are discussed. It is found that quantum effects become important for a thin film of small thickness. - Highlights: • New bulk and surface plasma dispersion relations due to quantum effects are derived, in a thin quantum plasma film. • It is found that quantum effects become important for a thin quantum film of small thickness
Silicene-terminated surface of calcium and strontium disilicides: properties and comparison with bulk structures by computational methods
Brázda, Petr; Mutombo, Pingo; Ondráček, Martin; Corrêa, Cinthia Antunes; Kopeček, Jaromír; Palatinus, Lukáš
The bulk and surface structures of calcium and strontium disilicides are investigated by computational methods using density functional theory. The investigated structures are R6, R3 and P1-CaSi2 and P1-SrSi2. The investigated properties are the cleavage energy at the silicene sheet, buckling of the bulk and surface silicene layers, charge transfer from calcium to silicon, band structure of bulk and surface-terminated structures and adsorption energies on H atoms and H2 molecules on the silicene-terminated surface of the R3 phase. The cleavage energy at the silicene surface is low in all cases. Structures P1-CaSi2 and R3-CaSi2 contain silicene sheets with different coordination to Ca, while R6-CaSi2 contains both types of the sheets. It is shown that the properties of the two types of silicene-like sheets in R6-CaSi2 are similar to those of the corresponding sheets in P1-CaSi2 and R3-CaSi2, and the thermodynamically stable R6 phase is a good candidate for experimental investigation of silicene-terminated surface in calcium disilicide.
Quasiparticle interference of the Fermi arcs and surface-bulk connectivity of a Weyl semimetal.
Inoue, Hiroyuki; Gyenis, András; Wang, Zhijun; Li, Jian; Oh, Seong Woo; Jiang, Shan; Ni, Ni; Bernevig, B Andrei; Yazdani, Ali
Weyl semimetals host topologically protected surface states, with arced Fermi surface contours that are predicted to propagate through the bulk when their momentum matches that of the surface projections of the bulk's Weyl nodes. We used spectroscopic mapping with a scanning tunneling microscope to visualize quasiparticle scattering and interference at the surface of the Weyl semimetal TaAs. Our measurements reveal 10 different scattering wave vectors, which can be understood and precisely reproduced with a theory that takes into account the shape, spin texture, and momentum-dependent propagation of the Fermi arc surface states into the bulk. Our findings provide evidence that Weyl nodes act as sinks for electron transport on the surface of these materials. Copyright © 2016, American Association for the Advancement of Science.
Coupling between bulk ordering and surface segregation: from alloy surfaces to surface alloys
International Nuclear Information System (INIS)
Gallis, Coralie
-The knowledge of the alloy surfaces is of prime interest to understand their catalytic properties. On the one hand, the determination of the stability of the surface alloys depends very strongly on the behaviours of the A c B 1-c alloy surfaces. On the other hand, the knowledge of the kinetics of the formation-dissolution of surface alloys can allow to understand the equilibrium segregation isotherm. We have then studied the relation between the equilibrium surface segregation in an alloy A c B 1-c and the kinetics of dissolution of a few metallic layers of A/B and the inverse deposit. We have used an energetic model derived from the electronic structure (T.I.B.M.) allowing us to study the surface segregation both in the disordered state and in the ordered one. The kinetics of dissolution were studied using the kinetic version of this model (K.T.I.B.M.) consistent with the equilibrium model. To illustrate our study, we have chosen the Cu-Pd system, a model for the formation of surface alloys and for which a great number of studies, both experimental and theoretical, are in progress. We then have shown for the (111) surface of this system that the surface alloys obtained during the dissolution are related to the alloy surfaces observed for the equilibrium segregation. The Cu-Pd system is characteristic of systems which have a weak segregation energy. Then, we have performed an equivalent study for a system with a strong segregation energy. Our choice was directly put on the Pt-Sn system. The surface behaviour, both in equilibrium and during the kinetics of dissolution, is very different from the Cu-Pd case. In particular, we have found pure 2-D surface alloys. Finally, a quenched molecular dynamics study has allowed us to determine the relative stability of various possible surface superstructures. (author) [fr
Determination of mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal.
Soluch, Waldemar; Brzozowski, Ernest; Lysakowska, Magdalena; Sadura, Jolanta
Mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal were determined. Mass density was obtained from the measured ratio of mass to volume of a cuboid. The dielectric constants were determined from the measured capacitances of an interdigital transducer (IDT) deposited on a Z-cut plate and from a parallel plate capacitor fabricated from this plate. The elastic and piezoelectric constants were determined by comparing the measured and calculated SAW velocities and electromechanical coupling coefficients on the Z- and X-cut plates. The following new constants were obtained: mass density p = 5986 kg/m(3); relative dielectric constants (at constant strain S) ε(S)(11)/ε(0) = 8.6 and ε(S)(11)/ε(0) = 10.5, where ε(0) is a dielectric constant of free space; elastic constants (at constant electric field E) C(E)(11) = 349.7, C(E)(12) = 128.1, C(E)(13) = 129.4, C(E)(33) = 430.3, and C(E)(44) = 96.5 GPa; and piezoelectric constants e(33) = 0.84, e(31) = -0.47, and e(15) = -0.41 C/m(2).
Millimeter wave surface resistance of grain-aligned Y1Ba2Cu3O(x) bulk material
International Nuclear Information System (INIS)
Wosik, J.; Kranenburg, R.A.; Wolfe, J.C.; Selvamanickam, V.; Salama, K.
Measurements are reported of the millimeter-wave surface resistance of grain-aligned YBa2Cu3O(x) bulk material grown by a liquid-phase process. The measurements were performed by replacing the endplate of a TE(011) cylindrical copper cavity with the superconducting sample. Surface resistance was measured for samples with surfaces oriented perpendicular and parallel to the c-axis of the grains. For the parallel configuration, the surface resistance at 77 K and 80 GHz is given. For a very well-aligned sample with a very low density of Y2BaCuO(y) precipitates, measured in the perpendicular configuration, the transition width (10-90 percent) is about 2 K and the surface resistance is derived at 88 K. The effect of microstructure on surface resistance is discussed. 19 refs
Millimeter wave surface resistance of grain-aligned Y1Ba2Cu3O(x) bulk material
Wosik, J.; Kranenburg, R. A.; Wolfe, J. C.; Selvamanickam, V.; Salama, K.
Measurements of the millimeter wave surface resistance of grain-aligned YBa2Cu3O(x) bulk material grown by a liquid phase process are reported. The measurements were performed by replacing the endplate of a TE011 cylindrical copper cavity with the superconducting sample. Surface resistance was measured for samples with surfaces oriented perpendicular and parallel to the c-axis of the grains. It is shown that, for the parallel configuration, the surface resistance at 77 K and 80 GHz is typically near 100 milliohms. For a very well-aligned sample with a very low density of Y2BaCuO(y) precipitates, measured in the perpendicular configuration, the transition width (10-90 percent) is about 2 K, and the surface resistance is less than 50 milliohms at 88 K. The effect of microstructure on surface resistance is discussed.
Millimeter wave surface resistance of grain-aligned Y1Ba2Cu3Ox bulk material
International Nuclear Information System (INIS)
Wosik, J.; Kranenburg, R.A.; Wolfe, J.C.; Selvamanickam, V.; Salama, K.
We report measurements of the millimeter wave surface resistance of grain-aligned YBa 2 Cu 3 O x bulk material grown by a liquid phase process. The measurements were performed by replacing the endplate of a TE 011 cylindrical copper cavity with the superconducting sample. Surface resistance was measured for samples with surfaces oriented perpendicular and parallel to the c-axis of the grains. We show that, for the parallel configuration, the surface resistance at 77 K and 80 GHz is typically near 100 mΩ. For a very well-aligned sample with a very low density of Y 2 BaCuO y precipitates, measured in the perpendicular configuration, the transition width (10%--90%) is about 2 K and the surface resistance is less than 50 mΩ at 88 K. The effect of microstructure on surface resistance is discussed
Thermal, spectral, and surface properties of LED light-polymerized bulk fill resin composites.
Pişkin, Mehmet Burçin; Atalı, Pınar Yılmaz; Figen, Aysel Kantürk
The aim of this study was to evaluate the thermal, spectral, and surface properties of four different bulk fill materials – SureFil SDR (SDR, Dentsplay DETREY), QuixFil (QF, Dentsplay DETREY), X-tra base (XB, Voco) X-tra fil (XF, Voco) – polymerized by light-emitting diode (LED). Resin matrix, filler type, size and amount, and photoinitiator types influence the degree of conversion. LED-cured bulk fill composites achieved sufficient polymerization. Scanning electron microscope (SEM) analysis revealed different patterns of surface roughness, depending on the composite material. Bulk fill materials showed surface characteristics similar to those of nanohybrid composites. Based on the thermal analysis results, glass transition (T(g)) and initial degradation (T(i)) temperatures changed depending on the bulk fill resin composites.
Slurry erosion induced surface nanocrystallization of bulk metallic glass
Ji, Xiulin; Wu, Jili; Pi, Jinghong; Cheng, Jiangbo; Shan, Yiping; Zhang, Yingtao
Microstructure evolution and phase transformation of metallic glasses (MGs) could occur under heating condition or mechanical deformation. The cross-section of as-cast Zr55Cu30Ni5Al10 MG rod was impacted by the solid particles when subjected to erosion in slurry flow. The surface microstructure was observed by XRD before and after slurry erosion. And the stress-driven de-vitrification increases with the increase of erosion time. A microstructure evolution layer with 1-2 μm thickness was formed on the topmost eroded surface. And a short range atomic ordering prevails in the microstructure evolution layer with crystalline size around 2-3 nm embedded in the amorphous matrix. The XPS analysis reveals that most of the metal elements in the MG surface, except for Cu, were oxidized. And a composite layer with ZrO2 and Al2O3 phases were formed in the topmost surface after slurry erosion. The cooling rate during solidification of MG has a strong influence on the slurry erosion induced nanocrystallization. And a lower cooling rate favors the surface nanocrystallization because of lower activation energy and thermo-stability. Finally, the slurry erosion induced surface nanocrystallization and microstructure evolution result in surface hardening and strengthening. Moreover, the microstructure evolution mechanisms were discussed and it is related to the cooling rate of solidification and the impact-induced temperature rise, as well as the combined effects of the impact-induced plastic flow, inter-diffusion and oxidation of the metal elements.
Solvent Composition Directing Click-Functionalization at the Surface or in the Bulk of Azide-Modified PEDOT
DEFF Research Database (Denmark)
Lind, Johan Ulrik; Hansen, Thomas Steen; Daugaard, Anders Egede
Thin films of the conducting polymer poly(3,4-(1-azidomethylethylene)dioxythiophene) tosylate (PEDOT−N3) can be functionalized by reaction with alkynated reagents in aqueous solutions. Reaction in pure water resulted in surface specific modification of PEDOT−N3 films, whereas both surface and bulk...... studies showed increasing film thickness with increasing DMSO content, with the measured thickness in pure DMSO being >250% of the thickness in pure water. A similar, but less pronounced, behavior was observed for unmodified poly(3,4-ethylenedioxythiophene) tosylate (PEDOT). High-density grafting...
The effect of surface-bulk potential difference on the kinetics of intercalation in core-shell active cathode particles
Kazemiabnavi, Saeed; Malik, Rahul; Orvananos, Bernardo; Abdellahi, Aziz; Ceder, Gerbrand; Thornton, Katsuyo
Surface modification of active cathode particles is commonly observed in battery research as either a surface phase evolving during the cycling process, or intentionally engineered to improve capacity retention, rate capability, and/or thermal stability of the cathode material. Here, a continuum-scale model is developed to simulate the galvanostatic charge/discharge of a cathode particle with core-shell heterostructure. The particle is assumed to be comprised of a core material encapsulated by a thin layer of a second phase that has a different open-circuit voltage. The effect of the potential difference between the surface and bulk phases (Ω) on the kinetics of lithium intercalation and the galvanostatic charge/discharge profiles is studied at different values of Ω, C-rates, and exchange current densities. The difference between the Li chemical potential in the surface and bulk phases of the cathode particle results in a concentration difference between these two phases. This leads to a charge/discharge asymmetry in the galvanostatic voltage profiles, causing a decrease in the accessible capacity of the particle. These effects are more significant at higher magnitudes of surface-bulk potential difference. The proposed model provides detailed insight into the kinetics and voltage behavior of the intercalation/de-intercalation processes in core-shell heterostructure cathode particles.
Characteristic of Polymer-Impregnated Cement Mortar: Composites: Bulk Density and Microstructure
International Nuclear Information System (INIS)
Younes, M.M.; Abo-El-Enein, S.A.; El-Saft, M.M.; Sadek, M.A.; Zohdy, K.M.
The effect of radiation initiated polymerization of some monomers on the physical properties of polymer-incorporated mortar was studied. The monomers used were: castor oil (C.O.), 4, 4'-diphenylmethane diisocyanate (MDI) and methyl methacrylate (MMA). Polymerization was carried out by subjecting the monomer-impregnated mortar specimens to different doses of gamma radiation. Where polyurethane (pu) and polyurethane -methyl methacrylate copolymers were formed within the pore system. The influence of polymer impregnation on the various physico-mechanical characteristics of the resulting composites was studied with respect to bulk density and polymer loading. Scanning electron microscopy (SEM) was employed to study the micro-structural characteristics of the neat hardened Ordinary Portland Cement (OPC) mortar pastes and their polymer-impregnated composites
Simultaneous bulk density and soil moisture determination by attenuation of 137 Cs and 241 Am
International Nuclear Information System (INIS)
Barros Ferraz, E.S. de.
The method of simultaneous bulk density and soil moisture determination by attenuation of 241 Am and 137 Cs gamma-radiation is introduced and studied with detail. Theoretical considerations are made about the attenuation process in the absorbers, the form of solving the problem of two unknowns, the sensitivity of the method the influences of the resolution time of the electronic counting equipment, and of the Compton scattering in the sample. From the methodological point of view studies are made about the influence of the geometry, adjustment of counting system, choice of radiation sources, attenuation coefficient and the manner of obtaining reliable measurements. Data obtained are analysed, discussed and compared with those found in the literature. Finally the author presents some applications of the method, its use in soil-water movement studies, in soil profile compaction studies, and specially in swelling soils. (author)
Density functional theory study of inter-layer coupling in bulk tin selenide
Song, Hong-Yue; Lü, Jing-Tao
We study the inter-layer coupling in bulk tin selenide (SnSe) through density functional theory based calculations. Different approximations for the exchange-correlation functionals and the van der Waals interaction are employed. By performing comparison with graphite, MoS2 and black phosphorus, we analyze the inter-layer coupling from different points of view, including the binding energy, the low frequency inter-layer optical phonons, and the inter-layer charge transfer. We find that, there is a strong charge transfer between layers of SnSe, resulting in the strongest inter-layer coupling. Moreover, the charge transfer renders the inter-layer coupling in SnSe not of van der Waals type. Mechanical exfoliation has been used to fabricate mono- or few-layer graphene, MoS2 and black phosphorus. But, our results show that it may be difficult to apply similar technique to SnSe.
Effect of initial bulk density on high-solids anaerobic digestion of MSW: General mechanism.
Caicedo, Luis M; Wang, Hongtao; Lu, Wenjing; De Clercq, Djavan; Liu, Yanjun; Xu, Sai; Ni, Zhe
Initial bulk density (IBD) is an important variable in anaerobic digestion since it defines and optimizes the treatment capacity of a system. This study reveals the mechanism on how IBD might affect anaerobic digestion of waste. Four different IBD values: D 1 (500-700kgm -3 ), D 2 (900-1000kgm -3 ), D 3 (1100-1200kgm -3 ) and D 4 (1200-1400kgm -3 ) were set and tested over a period of 90days in simulated landfill reactors. The main variables affected by the IBD are the methane generation, saturation degree, extraction of organic matter, and the total population of methanogens. The study identified that IBD >1000kgm -3 may have significant effect on methane generation, either prolonging the lag time or completely inhibiting the process. This study provides a new understanding of the anaerobic digestion process in saturated high-solids systems. Copyright © 2017 Elsevier Ltd. All rights reserved.
Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations
Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.
Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G0W0, GW0 to partially self-consistent sc-GW0, as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW0-BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations.
Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations
International Nuclear Information System (INIS)
Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.
Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G 0 W 0 , GW 0 to partially self-consistent sc-GW 0 , as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW 0 -BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations
Effect of cocoa bran on low-density lipoprotein oxidation and fecal bulking.
Jenkins, D J; Kendall, C W; Vuksan, V; Vidgen, E; Wong, E; Augustin, L S; Fulgoni, V
Legumes have reported benefits in terms of reduced risk for coronary heart disease and of colonic health. A novel legume fiber, cocoa bran, also may have favorable health effects on serum lipid levels, low-density lipoprotein (LDL) cholesterol oxidation, and fecal bulk. Twenty-five healthy normolipidemic subjects (13 men and 12 women) (mean +/- SEM age, 37 +/- 2 years; mean +/- SEM body mass index [calculated as weight in kilograms divided by the square of height in meters], 24.6 +/- 0.7) ate cocoa-bran and chocolate-flavored low-fiber breakfast cereals for 2-week periods, with 2-week washout, in a double-blind crossover study. The cocoa-bran cereal provided 25.0 g/d of total dietary fiber (TDF). The low-fiber cereal (5.6 g/d TDF) was of similar appearance and energy value. Fasting blood samples were obtained at the start and end of each period, and 4-day fecal collections were made from days 11 through 14. High-density lipoprotein (HDL) cholesterol level was higher (7.6% +/- 2.9%; P =.02) and the LDL/HDL cholesterol ratio was lower (6.7% +/- 2.3%; P =.007) for cocoa-bran compared with low-fiber cereal at 2 weeks. No effect was seen on LDL cholesterol oxidation. Mean fecal output was significantly higher for cocoa-bran than for low-fiber cereal (56 +/- 14 g/d; Pchocolate-flavored cocoa-bran cereal increased fecal bulk similarly to wheat bran and was associated with a reduction in the LDL/HDL cholesterol ratio. In view of the low-fat, high-fiber nature of the material, these results suggest a possible role for this novel fiber source in the diets of normal, hyperlipidemic, and constipated subjects.
Gamma-ray attenuation to measure water contents and/or bulk densities of porous materials
International Nuclear Information System (INIS)
Ferraz, E.S.B.
Attenuation of gamma radiation during transmission through soil and porous materials has been used for approximately three decades as a method for determining volumetric water content, theta, and bulk density, rho. This method is particularly suited for laboratory determinations of theta and rho in soil columns but it also has been used with success under field conditions. Measurements of attentuation of a collimated beam of monoernergetic gamma-rays has been used successfully by many investigators to provide rapid, non-destructive determinations for small volumes of soil. For stable soils, i.e. soils which do not swell upon wetting or shrink upon drying, rho may be assumed to remain constant during water flow through the soil, and thus changes in intensity or transmitted radiation may be attributed to changes in water content, theta. However, for unstable soils, the dry bulk density is subject to change with time during water flow through the soil and cannot be assumed to be a constant. Several investigators have utilized either a single beam of dual-energy gamma photons or two separate monoenergetic photon beams with greatly different energies to simultaneously determine theta and rho in these soils. A general review of gamma-ray attenuation methods for determining theta and rho in laboratory soil cores and in field soil profiles is reported in this paper. Theoretical equations for transmission and attenuation of gamma radiation in soils are presented for both single and double beams of gamma photons. Sensitivity, precision, accuracy, and experimental errors for the method are evaluated and discussed with respect to the theory. (author)
Porous 3D graphene-based bulk materials with exceptional high surface area and excellent conductivity for supercapacitors
Zhang, Long; Zhang, Fan; Yang, Xi; Long, Guankui; Wu, Yingpeng; Zhang, Tengfei; Leng, Kai; Huang, Yi; Ma, Yanfeng; Yu, Ao; Chen, Yongsheng
Until now, few sp2 carbon materials simultaneously exhibit superior performance for specific surface area (SSA) and electrical conductivity at bulk state. Thus, it is extremely important to make such materials at bulk scale with those two outstanding properties combined together. Here, we present a simple and green but very efficient approach using two standard and simple industry steps to make such three-dimensional graphene-based porous materials at the bulk scale, with ultrahigh SSA (3523 m2/g) and excellent bulk conductivity. We conclude that these materials consist of mainly defected/wrinkled single layer graphene sheets in the dimensional size of a few nanometers, with at least some covalent bond between each other. The outstanding properties of these materials are demonstrated by their superior supercapacitor performance in ionic liquid with specific capacitance and energy density of 231 F/g and 98 Wh/kg, respectively, so far the best reported capacitance performance for all bulk carbon materials. PMID:23474952
Quantum and Classical Magnetoresistance in Ambipolar Topological Insulator Transistors with Gate-tunable Bulk and Surface Conduction
Tian, Jifa; Chang, Cuizu; Cao, Helin; He, Ke; Ma, Xucun; Xue, Qikun; Chen, Yong P.
Weak antilocalization (WAL) and linear magnetoresistance (LMR) are two most commonly observed magnetoresistance (MR) phenomena in topological insulators (TIs) and often attributed to the Dirac topological surface states (TSS). However, ambiguities exist because these phenomena could also come from bulk states (often carrying significant conduction in many TIs) and are observable even in non-TI materials. Here, we demonstrate back-gated ambipolar TI field-effect transistors in (Bi0.04Sb0.96)2Te3 thin films grown by molecular beam epitaxy on SrTiO3(111), exhibiting a large carrier density tunability (by nearly 2 orders of magnitude) and a metal-insulator transition in the bulk (allowing switching off the bulk conduction). Tuning the Fermi level from bulk band to TSS strongly enhances both the WAL (increasing the number of quantum coherent channels from one to peak around two) and LMR (increasing its slope by up to 10 times). The SS-enhanced LMR is accompanied by a strongly nonlinear Hall effect, suggesting important roles of charge inhomogeneity (and a related classical LMR), although existing models of LMR cannot capture all aspects of our data. Our systematic gate and temperature dependent magnetotransport studies provide deeper insights into the nature of both MR phenomena and reveal differences between bulk and TSS transport in TI related materials. PMID:24810663
Hong Shen
The concepts of curve profile, curve intercept, curve intercept density, curve profile area density, intersection density in containing intersection (or intersection density relied on intersection reference), curve profile intersection density in surface (or curve intercept intersection density relied on intersection of containing curve), and curve profile area density in surface (AS) were defined. AS expressed the amount of curve profile area of Y phase in the unit containing surface area, S...
Electrochemical Characteristics of Layered Transition Metal Oxide Cathode Materials for Lithium Ion Batteries: Surface, Bulk Behavior, and Thermal Properties.
Tian, Chixia; Lin, Feng; Doeff, Marca M
Layered lithium transition metal oxides, in particular, NMCs (LiNi x Co y Mn z O 2 ) represent a family of prominent lithium ion battery cathode materials with the potential to increase energy densities and lifetime, reduce costs, and improve safety for electric vehicles and grid storage. Our work has focused on various strategies to improve performance and to understand the limitations to these strategies, which include altering compositions, utilizing cation substitutions, and charging to higher than usual potentials in cells. Understanding the effects of these strategies on surface and bulk behavior and correlating structure-performance relationships advance our understanding of NMC materials. This also provides information relevant to the efficacy of various approaches toward ensuring reliable operation of these materials in batteries intended for demanding traction and grid storage applications. In this Account, we start by comparing NMCs to the isostructural LiCoO 2 cathode, which is widely used in consumer batteries. Effects of changing the metal content (Ni, Mn, Co) upon structure and performance of NMCs are briefly discussed. Our early work on the effects of partial substitution of Al, Fe, and Ti for Co on the electrochemical and bulk structural properties is then covered. The original aim of this work was to reduce the Co content (and thus the raw materials cost) and to determine the effect of the substitutions on the electrochemical and bulk structural properties. More recently, we have turned to the application of synchrotron and advanced microscopy techniques to understand both bulk and surface characteristics of the NMCs. Via nanoscale-to-macroscale spectroscopy and atomically resolved imaging techniques, we were able to determine that the surfaces of NMC undergo heterogeneous reconstruction from a layered structure to rock salt under a variety of conditions. Interestingly, formation of rock salt also occurs under abuse conditions. The surface
Adsorption of trace gases to ice surfaces: surface, bulk and co-adsorbate effects
Kerbrat, Michael; Bartels-Rausch, Thorsten; Huthwelker, Thomas; Schneebeli, Martin; Pinzer, Bernd; Ammann, Markus
Atmospheric ices frequently interact with trace gases and aerosol making them an important storage, transport or reaction medium in the global ecosystem. Further, this also alters the physical properties of the ice particles with potential consequences for the global irradiation balance and for the relative humidity of surrounding air masses. We present recent results from a set of laboratory experiments of atmospheric relevance to investigate the nature of the uptake processes. The focus of this talk will be placed on the partitioning of acidic acid and nitrous acid on ice surfaces.The presented results span from very simple reversible adsorption experiments of a single trace gas onto ice surfaces to more complex, but well controlled, experimental procedures that successfully allowed us to - Disentangle surface adsorption and uptake into the ice matrix using radioactive labelled trace gases. - Show that simultaneous adsorption of acetic acid and nitrous acid to an ice surface is consistent with the Langmuir co-adsorption model. The experiments were done in a packed ice bed flow tube at atmospheric pressure and at temperatures between 213 and 253 K. The HONO gas phase mixing ratio was between 0.4 and 137 ppbv, the mixing ratio of acetic acid between 5 and 160 ppbv . The use of the radioactive labelled nitrous acid molecules for these experiments enabled in situ monitoring of the migration of trace gas in the flow tube. The measurements showed that the interactions do not only occur through adsorption but also via diffusion into polycrystalline ice. A method is suggested to disentangle the bulk and the surface processes. The co-adsorption of acetic and nitrous acids was also investigated. The measurements are well reproduced by a competitive Langmuir adsorption model.
Topological surface states interacting with bulk excitations in the Kondo insulator SmB6 revealed via planar tunneling spectroscopy.
Park, Wan Kyu; Sun, Lunan; Noddings, Alexander; Kim, Dae-Jeong; Fisk, Zachary; Greene, Laura H
Samarium hexaboride (SmB6), a well-known Kondo insulator in which the insulating bulk arises from strong electron correlations, has recently attracted great attention owing to increasing evidence for its topological nature, thereby harboring protected surface states. However, corroborative spectroscopic evidence is still lacking, unlike in the weakly correlated counterparts, including Bi2Se3 Here, we report results from planar tunneling that unveil the detailed spectroscopic properties of SmB6 The tunneling conductance obtained on the (001) and (011) single crystal surfaces reveals linear density of states as expected for two and one Dirac cone(s), respectively. Quite remarkably, it is found that these topological states are not protected completely within the bulk hybridization gap. A phenomenological model of the tunneling process invoking interaction of the surface states with bulk excitations (spin excitons), as predicted by a recent theory, provides a consistent explanation for all of the observed features. Our spectroscopic study supports and explains the proposed picture of the incompletely protected surface states in this topological Kondo insulator SmB6.
Pressure-Dependent Electronic and Transport Properties of Bulk Platinum Oxide by Density Functional Theory
Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh; Nekrasov, Kirill A.; Kichigina, Natalia V.
The structural, electronic, and vibrational properties of bulk platinum oxide (PtO) at compressive pressures in the interval from 0 GPa to 35 GPa are investigated using the density functional theory. The calculated electronic band structure of PtO shows poor metallicity at very low density of states on the Fermi level. However, the hybrid pseudopotential calculation yielded 0.78 eV and 1.30 eV direct band and indirect gap, respectively. Importantly, our results predict that PtO has a direct band gap within the framework of HSE06, and it prefers equally zero magnetic order at different pressures. In the Raman spectra, peaks are slightly shifted towards higher frequency with the decrease in pressure. We have also calculated the thermoelectric properties, namely the electronic thermal conductivity and electrical conductivity, with respect to temperature and thermodynamic properties such as entropy, specific heat at constant volume, enthalpy and Gibbs free energy with respect to pressure. The result shows that PtO is a promising candidate for use as a catalyst, in sensors, as a photo-cathode in water electrolysis, for thermal decomposition of inorganic salt and fuel cells.
International Nuclear Information System (INIS)
We present results on bulk thermodynamic quantities as well as net baryon number, strangeness and electric charge fluctuations in QCD at non-zero density and temperature obtained from lattice calculations with almost physical quark masses for two values of the lattice cut-off aT = 1/4 and 1/6. We show that with our improved p4fa3-action the cut-off effects are under control when using lattices with a temporal extent of 6 or larger and that the contribution to the equation of state, which is due to a finite chemical potential is small for μ q /T < 1. Moreover, at vanishing chemical potential, i.e. under conditions almost realized at RHIC and the LHC, quartic fluctuations of net baryon number and strangeness are large in a narrow temperature interval characterizing the transition region from the low to high temperature phase. At non-zero baryon number density, strangeness fluctuations are enhanced and correlated to fluctuations of the net baryon number. If strangeness is furthermore forced to vanish, as it may be the case in systems created in heavy ion collisions, strangeness fluctuations are significantly smaller than baryon number fluctuations
Exact probability function for bulk density and current in the asymmetric exclusion process
Depken, Martin; Stinchcombe, Robin
We examine the asymmetric simple exclusion process with open boundaries, a paradigm of driven diffusive systems, having a nonequilibrium steady-state transition. We provide a full derivation and expanded discussion and digression on results previously reported briefly in M. Depken and R. Stinchcombe, Phys. Rev. Lett. 93, 040602 (2004). In particular we derive an exact form for the joint probability function for the bulk density and current, both for finite systems, and also in the thermodynamic limit. The resulting distribution is non-Gaussian, and while the fluctuations in the current are continuous at the continuous phase transitions, the density fluctuations are discontinuous. The derivations are done by using the standard operator algebraic techniques and by introducing a modified version of the original operator algebra. As a by-product of these considerations we also arrive at a very simple way of calculating the normalization constant appearing in the standard treatment with the operator algebra. Like the partition function in equilibrium systems, this normalization constant is shown to completely characterize the fluctuations, albeit in a very different manner.
Effects of bulk and surface conductivity on the performance of CdZnTe pixel detectors
DEFF Research Database (Denmark)
Bolotnikov, A.E.; Chen, C.M.H.; Cook, W.R.
, the existence of a thin (10-100 A) oxide layer on the surface of CZT, formed during the fabrication process, affects both bulk and surface leakage currents. We demonstrate that the measured I-V dependencies of bulk current can be explained by considering the CZT detector as a metal-semiconductor-metal system......-collection efficiency in detectors with multicontact geometry; some fraction of the electric field lines that originated on the cathode intersects the surface areas between the pixel contacts where the charge produced by an ionizing particle gets trapped. To overcome this effect, we place a grid of thin electrodes...
On the interrelation between bulk and thin-film Fermi surfaces
Schwingenschlögl, Udo
A general scheme for inferring the Fermi surface of a finite slab from ab initio electronic-structure calculations for the parent bulk system is introduced. The simple cubic ReO 3 oxide is studied as an example system. We show that our scheme provides an accurate approximation of the Fermi surface even for very thin slabs. © 2010 Europhysics Letters Association.
Surface and bulk MHD instabilities due to insulator coating imperfections
International Nuclear Information System (INIS)
Xu Zengyu; Reed, C.B.; Pan Chuanjie
Experiments were performed using copper electrodes inserted into the wall of a perfectly insulated duct to simulate insulator coating flaking or cracking. The results show that surface electric potential U and MHD pressure drop ΔP exhibit a non-monotonic behavior with increasing V 0 , while the magnetic field B 0 is held constant. Additional experiments were also performed keeping all external experimental conditions fixed while measuring the change of U, V 0 , B 0 , and ΔP with increasing time. It was found that while all external experimental conditions were kept constant, the system changed by itself and U, V 0 and ΔP exhibited a non-monotonic behavior with increasing time. The results seem contrary to the law of ΔP∝V 0 B 0 n , but are consistent with conservation of energy, which implies that the change is due to some inherent feature of the system, or possibly instabilities, which may occur due to insulator coating imperfections
Optimising mechanical strength and bulk density of dry ceramic bodies through mixture design
Directory of Open Access Journals (Sweden)
Correia, S. L.
Full Text Available In industrial practice, it is desirable to be able to predict, in an expeditious way, what the effects of a change in raw materials or the proportions thereof might be in the various processing steps towards the final product. When the property of interest is basically determined by the combination (or mixture of raw materials, an optimisation methodology specific to the design of mixture experiments can be successfully used. In the present study, dry bending strength and bulk density were selected as the properties to model, given the simplicity of their experimental determination and because they are frequently used as quality control parameter in the development and manufacture stages of floor and wall ceramic tiles. Ten formulations of three raw materials (a clay mixture, potash feldspar and quartz sand were processed in the laboratory under fixed conditions, similar to those used in the ceramics industry, and characterised. The use of this methodology enabled the calculation of valid regression models (equations relating dry bending strength and bulk density with the contents, in the starting mixture, of the particular raw materials used.
En el trabajo industrial es deseable poder predecir de manera efectiva, los efectos que los cambios en las materias primas o en sus proporciones pueden ejercer sobre las variables del proceso y como estos afectan al producto final. Cuando la propiedad de interés depende preferentemente de la mezcla de las materias primas, una metodología específica de optimización para el diseño de los experimentos de mezclas puede ser empleada con éxito. En este trabajo, la resistencia mecánica en seco y la densidad se emplearon como los parámetros de control en el desarrollo y producción de azulejos cerámicos para pavimento y revestimiento. Diez formulaciones a partir de tres materias primas ( una mezcla de arcilla, feldespato potásico y arena de cuarzo fueron procesadas en el laboratorio bajo
Near-surface and bulk behavior of Ag in SiC
International Nuclear Information System (INIS)
Xiao, H.Y.; Zhang, Y.; Snead, L.L.; Shutthanandan, V.; Xue, H.Z.; Weber, W.J.
Highlights: ► Ag release from SiC poses problems in safe operation of nuclear reactors. ► Near-surface and bulk behavior of Ag are studied by ab initio and ion beam methods. ► Ag prefers to adsorb on the surface rather than in the bulk SiC. ► At high temperature Ag desorbs from the surface instead of diffusion into bulk SiC. ► Surface diffusion may be a dominating mechanism accounting for Ag release from SiC. - Abstract: The diffusive release of fission products, such as Ag, from TRISO particles at high temperatures has raised concerns regarding safe and economic operation of advanced nuclear reactors. Understanding the mechanisms of Ag diffusion is thus of crucial importance for effective retention of fission products. Two mechanisms, i.e., grain boundary diffusion and vapor or surface diffusion through macroscopic structures such as nano-pores or nano-cracks, remain in debate. In the present work, an integrated computational and experimental study of the near-surface and bulk behavior of Ag in silicon carbide (SiC) has been carried out. The ab initio calculations show that Ag prefers to adsorb on the SiC surface rather than in the bulk, and the mobility of Ag on the surface is high. The energy barrier for Ag desorption from the surface is calculated to be 0.85–1.68 eV, and Ag migration into bulk SiC through equilibrium diffusion process is not favorable. Experimentally, Ag ions are implanted into SiC to produce Ag profiles buried in the bulk and peaked at the surface. High-temperature annealing leads to Ag release from the surface region instead of diffusion into the interior of SiC. It is suggested that surface diffusion through mechanical structural imperfection, such as vapor transport through cracks in SiC coatings, may be a dominating mechanism accounting for Ag release from the SiC in the nuclear reactor.
Tuning apparent friction coefficient by controlled patterning bulk metallic glasses surfaces
Li, Ning; Xu, Erjiang; Liu, Ze; Wang, Xinyun; Liu, Lin
Micro-honeycomb structures with various pitches between adjacent cells were hot-embossed on Zr35Ti30Cu8.25Be26.75 bulk metallic glass surface. The effect of pitch geometry on the frictional behavior of metallic glass surface was systematically investigated. The results revealed that all textured metallic glass surfaces show a reduction in friction coefficient compared to smooth surface. More intriguingly, the friction coefficient first decreased and then increased gradually with increasing pitches. Such unique behavior can be understood fundamentally from the perspective of competing effects between contact area and local stress level with increasing pitches. This finding not only enhance the in-depth understanding of the mechanism of the significant role of surface topography on the frictional behavior of metallic glass surface, but also opens a new route towards other functional applications for bulk metallic glasses.
The role of intramolecular crosslinking in the radiolysis of bulk crystallized high density polyethylene
International Nuclear Information System (INIS)
Lyons, B.J.
Intramolecular crosslinks have been suggested to occur in bulk crystallized, irradiated, high density polyethylene (HDPE) and to account for the low rates of gel formation, especially those of previously annealed samples when compared with that manifested by the same resin when previously quenched from the melt. Such crosslinks do not contribute to the development of gel and contribute to only a limited extent to the elastic properties above the crystalline melting point when compared with intermolecular crosslinks, but, if the mesh size of the intra- and inter-molecular networks are comparable, are fully reflected in the rupture elongation. The rupture elongations of a wide range of HDPE resins, for a given sol fraction or elastic modulus, are found to be at least as high as and often higher than those of low (LDPE) or linear low (LLDPE) polyethylene resins, indicating that intramolecular crosslinking of this type does not occur to a significantly greater extent in these higher crystallinity resins. Other factors more likely to account for the reduced rates of inter alia gel formation in some HDPE resins are discussed. (author)
Bulk Density Prediction for Histosols and Soil Horizons with High Organic Matter Content
Directory of Open Access Journals (Sweden)
Sidinei Julio Beutler
Full Text Available ABSTRACT Bulk density (Bd can easily be predicted from other data using pedotransfer functions (PTF. The present study developed two PTFs (PTF1 and PTF2 for Bd prediction in Brazilian organic soils and horizons and compared their performance with nine previously published equations. Samples of 280 organic soil horizons used to develop PTFs and containing at least 80 g kg-1 total carbon content (TOC were obtained from different regions of Brazil. The multiple linear stepwise regression technique was applied to validate all the equations using an independent data set. Data were transformed using Box-Cox to meet the assumptions of the regression models. For validation of PTF1 and PTF2, the coefficient of determination (R2 was 0.47 and 0.37, mean error -0.04 and 0.10, and root mean square error 0.22 and 0.26, respectively. The best performance was obtained for the PTF1, PTF2, Hollis, and Honeysett equations. The PTF1 equation is recommended when clay content data are available, but considering that they are scarce for organic soils, the PTF2, Hollis, and Honeysett equations are the most suitable because they use TOC as a predictor variable. Considering the particular characteristics of organic soils and the environmental context in which they are formed, the equations developed showed good accuracy in predicting Bd compared with already existing equations.
Subthreshold radiation-induced processes in the bulk and on surfaces and interfaces of solids
International Nuclear Information System (INIS)
Itoh, N.
A review is given on the processes induced under irradiation by electronic encounters and by elastic encounters below the knock-on threshold. It is pointed out that electronic encounters cause bond scission that results in defect formation and sputtering in a variety of materials. The conditions for generation of permanent radiation-induced process as a consequence of electronic encounters are critically examined. Two critical issues are localization of electronic excitation energy and energetics. Self-trapping of excitons is one way of localization; otherwise defects are involved in localization and therefore in radiation-induced processes (RIP) by electronic excitation. Arguments on energetics indicate presence of linear and nonlinear electronic process with respect to the density of excitation. The registration of energetic heavy-ion tracks is explained in terms of non-linear electronic processes. The difference in the processes in the bulk, on surfaces and at interfaces is critically discussed. The possible contribution of subthreshold elastic encounters to thermodynamically driven interface reaction is also discussed. (orig.)
Surface-spin magnetism of antiferromagnetic NiO in nanoparticle and bulk morphology
International Nuclear Information System (INIS)
Jagodic, M; Jaglicic, Z; Jelen, A; Dolinsek, J; Lee, Jin Bae; Kim, Hae Jin; Kim, Young-Min
The surface-spin magnetism of the antiferromagnetic (AFM) material NiO in nanoparticle and bulk morphology was investigated by magnetic measurements (temperature-dependent zero-field-cooled (zfc) and field-cooled (fc) dc susceptibility, ac susceptibility and zfc and fc hysteresis loops). We addressed the question of whether the multisublattice ordering of the uncompensated surface spins and the exchange bias (EB) effect are only present in the nanoparticles, originating from their high surface-to-volume ratio or if these surface phenomena are generally present in the AFM materials regardless of their bulky or nanoparticle morphology, but the effect is just too small to be detected experimentally in the bulk due to a very small surface magnetization. Performing experiments on the NiO nanoparticles of different sizes and bulk NiO grains, we show that coercivity enhancement and hysteresis loop shift in the fc experiments, considered to be the key experimental manifestations of multisublattice ordering and the EB effect, are true nanoscale phenomena only present in the nanoparticles and absent in the bulk.
Effect of collimator size and absorber thickness on soil bulk density evaluation by gamma-ray attenuation
International Nuclear Information System (INIS)
Costa, J.C.; Borges, J.A.R.; Pires, L.F.
Representative measurements of the soil bulk density (ρ s ) can be affected depending on the geometry selected for gamma-ray attenuation (GRA) measurements. In this study, the effect of collimator size (2–4 mm diameters) and absorber thickness (2–15 cm) on ρ s measurements of sandy and clayey soils was investigated. In summary, the results obtained for the 137 Cs show that ρ s remained fairly constant for values of thickness larger than 7 cm (both soils). The very same result was observed for collimator sizes 2–4 mm. Regarding the 241 Am source, ρ s values presented variations with the collimator size (both soils) for the different thicknesses. The best values of ρ s were obtained for samples smaller than 5 cm and also for the small collimator diameters. - Highlights: ► Representative measurements of the soil bulk density by gamma-ray attenuation. ► For 137 Cs the best bulk density values were obtained for samples larger than 7 cm. ► For 241 Am the best bulk density values were obtained for samples smaller than 5 cm
Linear magnetoresistance and surface to bulk coupling in topological insulator thin films.
Singh, Sourabh; Gopal, R K; Sarkar, Jit; Pandey, Atul; Patel, Bhavesh G; Mitra, Chiranjib
We explore the temperature dependent magnetoresistance of bulk insulating topological insulator thin films. Thin films of Bi 2 Se 2 Te and BiSbTeSe 1.6 were grown using the pulsed laser deposition technique and subjected to transport measurements. Magnetotransport measurements indicate a non-saturating linear magnetoresistance (LMR) behavior at high magnetic field values. We present a careful analysis to explain the origin of LMR taking into consideration all the existing models of LMR. Here we consider that the bulk insulating states and the metallic surface states constitute two parallel conduction channels. Invoking this, we were able to explain linear magnetoresistance behavior as a competition between these parallel channels. We observe that the cross-over field, where LMR sets in, decreases with increasing temperature. We propose that this cross-over field can be used phenomenologically to estimate the strength of surface to bulk coupling.
Spin-orbit torque in 3D topological insulator-ferromagnet heterostructure: crossover between bulk and surface transport
Ghosh, Sumit; Manchon, Aurelien
Current-driven spin-orbit torques are investigated in a heterostructure composed of a ferromagnet deposited on top of a three dimensional topological insulator using the linear response formalism. We develop a tight-binding model of the heterostructure adopting a minimal interfacial hybridization scheme that promotes induced magnetic exchange on the topological surface states, as well as induced Rashba-like spin-orbit coupling in the ferromagnet. Therefore, our model accounts for spin Hall effect from bulk states together with inverse spin galvanic and magnetoelectric effects at the interface on equal footing. By varying the transport energy across the band structure, we uncover a crossover from surface-dominated to bulk-dominated transport regimes. We show that the spin density profile and the nature of the spin-orbit torques differ substantially in both regimes. Our results, which compare favorably with experimental observations, demonstrate that the large damping torque reported recently is more likely attributed to interfacial magnetoelectric effect, while spin Hall torque remains small even in the bulk-dominated regime.
Spin-orbit torque in a three-dimensional topological insulator–ferromagnet heterostructure: Crossover between bulk and surface transport
Ghosh, Sumit; Manchon, Aurelien
Current-driven spin-orbit torques are investigated in a heterostructure composed of a ferromagnet deposited on top of a three-dimensional topological insulator using the linear response formalism. We develop a tight-binding model of the heterostructure adopting a minimal interfacial hybridization scheme that promotes induced magnetic exchange on the topological surface states, as well as induced Rashba-like spin-orbit coupling in the ferromagnet. Therefore our model accounts for the spin Hall effect from bulk states together with inverse spin galvanic and magnetoelectric effects at the interface on equal footing. By varying the transport energy across the band structure, we uncover a crossover from surface-dominated to bulk-dominated transport regimes. We show that the spin density profile and the nature of the spin-orbit torques differ substantially in both regimes. Our results, which compare favorably with experimental observations, demonstrate that the large dampinglike torque reported recently is more likely attributed to the Berry curvature of interfacial states, while spin Hall torque remains small even in the bulk-dominated regime.
Spin-orbit torque in 3D topological insulator-ferromagnet heterostructure: crossover between bulk and surface transport
Ghosh, Sumit
Current-driven spin-orbit torques are investigated in a heterostructure composed of a ferromagnet deposited on top of a three dimensional topological insulator using the linear response formalism. We develop a tight-binding model of the heterostructure adopting a minimal interfacial hybridization scheme that promotes induced magnetic exchange on the topological surface states, as well as induced Rashba-like spin-orbit coupling in the ferromagnet. Therefore, our model accounts for spin Hall effect from bulk states together with inverse spin galvanic and magnetoelectric effects at the interface on equal footing. By varying the transport energy across the band structure, we uncover a crossover from surface-dominated to bulk-dominated transport regimes. We show that the spin density profile and the nature of the spin-orbit torques differ substantially in both regimes. Our results, which compare favorably with experimental observations, demonstrate that the large damping torque reported recently is more likely attributed to interfacial magnetoelectric effect, while spin Hall torque remains small even in the bulk-dominated regime.
Spin-orbit torque in a three-dimensional topological insulator–ferromagnet heterostructure: Crossover between bulk and surface transport
Ghosh, Sumit
Current-driven spin-orbit torques are investigated in a heterostructure composed of a ferromagnet deposited on top of a three-dimensional topological insulator using the linear response formalism. We develop a tight-binding model of the heterostructure adopting a minimal interfacial hybridization scheme that promotes induced magnetic exchange on the topological surface states, as well as induced Rashba-like spin-orbit coupling in the ferromagnet. Therefore our model accounts for the spin Hall effect from bulk states together with inverse spin galvanic and magnetoelectric effects at the interface on equal footing. By varying the transport energy across the band structure, we uncover a crossover from surface-dominated to bulk-dominated transport regimes. We show that the spin density profile and the nature of the spin-orbit torques differ substantially in both regimes. Our results, which compare favorably with experimental observations, demonstrate that the large dampinglike torque reported recently is more likely attributed to the Berry curvature of interfacial states, while spin Hall torque remains small even in the bulk-dominated regime.
Dynamic effects of soil bulk density on denitrification and mineralisation by 15N labelled lettuce residue and paper wastes
International Nuclear Information System (INIS)
Hua Luo; Cheng Qing; Vinten, A.J.A.
Two laboratory incubation experiments aimed to study the denitrification and mineralisation influenced by different additives ( 15 N labelled lettuce residue, paper wastes and mixture of both) and soil bulk densities were carried out by means of acetylene inhibition at the constant 15 degree C for 107 and 90 days, respectively. The results showed that the changes of N 2 O, CO 2 emission rates, inorganic nitrogen (NO 3 - and NH 4 + ), total N and 15 N abundance in the soils which were affected by adding lettuce residue, paper wastes and mixture of both were investigated. Soil denitrification rate increased after lettuce residue was added into soil for 8 days. The maximum rate of N 2 O emission was 15 times higher than that in soil without any additive. However, paper wastes did not increase N 2 O emission in the first 8 days compared with other treatments, mixed residue and paper wastes could promote soil microbial activity, but N 2 O emission was lower than that in the soil with lettuce residue added and higher than that with paper wastes, indicating that mixture of residue and paper wastes was benefit to soil nitrogen immobilisation. CO 2 emission in all the treatments were declined to the same level on the 107 th day. In the treatment added mixed residues and paper wastes, the released CO 2 quantities were higher than those in other treatments every day. Effect of different bulk density on N 2 O and CO 2 emission were response to the change of bulk density, it seems that N 2 O and CO 2 emission increased with bulk density. High bulk density could affect decomposition of paper wastes and NO 3 - , NH 4 + concentration. (30 ref., 10 tabs.)
Preliminary study of the relationship between surface and bulk water temperatures at the Dresden cooling pond
International Nuclear Information System (INIS)
Wesely, M.L.; Hicks, B.B.; Hess, G.D.
Successful application of bulk aerodynamic formulae to determine the vertical sensible and latent heat fluxes above a cooling lake requires accurate estimates of water surface temperature. Because of the heat loss at the surface and partial insulation by the poorly-mixed outer skin of water in contact with the air-water interface, the surface temperature is usually 0.1 to 2.0 C less than the temperature at a depth greater than 1 cm. For engineering applications requiring estimates of the total heat dissipation capacity of a particular cooling lake, the bulk temperature of the entire mixed layer of subsurface water is more important than the surface temperature. Therefore, in order to simulate the thermal performance of a cooling pond, both the surface temperature and the bulk temperature should be estimated. In the case of cooling ponds, the total heat transfer through the uppermost layer is extremely large and the water beneath the surface is strongly mixed by circulation currents within the pond. The purpose of this report is to describe the magnitude of the temperature difference across the surface skin at the Dresden nuclear power plant cooling pond and to relate this difference to variables used in modeling the thermal performance of cooling ponds
On the interrelation between bulk and thin-film Fermi surfaces
Schwingenschlö gl, Udo; Fré sard, Raymond
A general scheme for inferring the Fermi surface of a finite slab from ab initio electronic-structure calculations for the parent bulk system is introduced. The simple cubic ReO 3 oxide is studied as an example system. We show that our scheme
Bulk and Surface Structures of Palladium-Modified Copper-Zinc Oxides ex Hydroxycarbonate Precursors
López Granados, M.; Melián-Cabrera, I.; Fierro, J.L.G.
(Pd)-Cu-Zn ex hydroxycarbonate precursors were prepared and characterized by several bulk and surface techniques. A palladium-free Cu-Zn precursor (CZ) was prepared by coprecipitation. Two Pd-Cu-Zn samples were prepared by coprecipitation (PCZ-CP) and sequential precipitation (PCZ-SP). It is shown
Effects of Nb and Si on densities of valence electrons in bulk and defects of Fe3Al alloys
Institute of Scientific and Technical Information of China (English)
邓文; 钟夏平; 黄宇阳; 熊良钺; 王淑荷; 郭建亭; 龙期威
Positron lifetime measurements have been performed in binary Fe3Al and Fe3Al doping with Nb or Si alloys. The densities of valence electrons of the bulk and microdefects in all tested samples have been calculated by using the positron lifetime parameters. Density of valence electron is low in the bulk of Fe3Al alloy. It indicates that, the 3d electrons in a Fe atom have strong-localized properties and tend to form covalent bonds with Al atoms, and the bonding nature in Fe3Al is a mixture of metallic and covalent bonds. The density of valence electron is very low in the defects of Fe3Al grain boundary, which makes the bonding cohesion in grain boundary quite weak. The addition of Si to Fe3Al gives rise to the decrease of the densities of valence electrons in the bulk and the grain boundary thus the metallic bonding cohesion. This makes the alloy more brittle. The addition of Nb to Fe3Al results in the decrease of the ordering energy of the alloy and increases the density of valence electron and th
Method of altering the effective bulk density of solid material and the resulting product: hollow polymeric particles
International Nuclear Information System (INIS)
Kool, L.B.; Nolen, R.L.; Solomon, D.E.
Hollow spherical particles are made by spraying a mixture of powdered solid material with a solution of a film-forming polymer in a solvent therefor into a heated chamber where the solvent evaporates. The powder is thereby captured in the wall of the hollow polymer particles formed. Such particles are used to form a suspension in a fluid material. The hollow particles are of such size and wall thickness, in relation to the bulk density of the powdered solid material, that the bulk density of each hollow spherical particle is commensurate with the density of the fluid material. The particles thereby remain in suspension over a substantial period of time with little or no agitation of the fluid. (author)
Surface/state correspondence and bulk local operators in pp-wave holography
Directory of Open Access Journals (Sweden)
Nakwoo Kim
Full Text Available We apply the surface/state correspondence proposal of Miyaji et al. to IIB pp-waves and propose that the bulk local operators should be instantonic D-branes. In line with ordinary AdS/CFT correspondence, the bulk local operators in pp-waves also create a hole, or a boundary, in the dual gauge theory as pointed out by H. Verlinde, and by Y. Nakayama and H. Ooguri. We also present simple calculations which illustrate how to extract the spacetime metric of pp-waves from instantonic D-branes in boundary state formalism.
X-Ray Fluorescence Determination of the Surface Density of Chromium Nanolayers
Mashin, N. I.; Chernjaeva, E. A.; Tumanova, A. N.; Ershov, A. A.
An auxiliary system consisting of thin-film layers of chromium deposited on a polymer film substrate is used to construct calibration curves for the relative intensities of the K α lines of chromium on bulk substrates of different elements as functions of the chromium surface density in the reference samples. Correction coefficients are calculated to take into account the absorption of primary radiation from an x-ray tube and analytical lines of the constituent elements of the substrate. A method is developed for determining the surface density of thin films of chromium when test and calibration samples are deposited on substrates of different materials.
Contact resistance problems applying ERT on low bulk density forested stony soils. Is there a solution?
Deraedt, Deborah; Touzé, Camille; Robert, Tanguy; Colinet, Gilles; Degré, Aurore; Garré, Sarah
contact resistance reduced to 5222 Ω. This improved the contact resistance substantially, but complicates the execution of a pulse tracer experiment. To date we did not find any better solution to this problem and we keep searching a way to improve the contact resistance in stony forested soils with very low bulk density. We would like to exchange on these questions with EGU attendees in order to improve the experimental design or point out a new research path for these specific conditions. This could lead to enhance the use of ERT in soils with low density and high stone content.
Simultaneous surface engineering and bulk hardening of precipitation hardening stainless steel
DEFF Research Database (Denmark)
Frandsen, Rasmus Berg; Christiansen, Thomas; Somers, Marcel A. J.
This article addresses simultaneous bulk precipitation hardening and low temperature surface engineering of two commercial precipitation hardening stainless steels: Sandvik Nanoflex® and Uddeholm Corrax®. Surface engineering comprised gaseous nitriding or gaseous carburising. Microstructural....... The duration and temperature of the nitriding/carburising surface hardening treatment can be chosen in agreement with the thermal treatment for obtaining optimal bulk hardness in the precipitation hardening stainless steel....... characterisation of the cases developed included X-ray diffraction analysis, reflected light microscopy and micro-hardness testing. It was found that the incorporation of nitrogen or carbon resulted in a hardened case consisting of a combination of (tetragonal) martensite and expanded (cubic) austenite...
Bulk-mediated surface diffusion: non-Markovian desorption and biased behaviour in an infinite system
International Nuclear Information System (INIS)
Revelli, Jorge A; Budde, Carlos E; Wio, Horacio S
We analyse the dynamics of adsorbed molecules within the bulk-mediated surface diffusion framework. We consider that the particle's desorption mechanism is characterized by a non-Markovian process, while the particle's adsorption and its motion in the bulk are governed by Markovian dynamics, and include the effect of an external field in the form of a bias in the normal motion to the surface. We study this system for the diffusion of particles in a semi-infinite lattice, analysing the conditional probability to find the system on the reference absorptive plane as well as the surface dispersion as functions of time. The agreement between numerical and analytical asymptotic results is discussed
Immobilization of the Enzyme Glucose Oxidase on Both Bulk and Porous SiO2 Surfaces
Directory of Open Access Journals (Sweden)
Fulvia Sinatra
Full Text Available Silicon dioxide surfaces, both bulk and porous, were used to anchor the enzyme glucose oxidase. The immobilization protocol was optimized and the samples characterized using X-ray Photoelectron Spectroscopy, Energy Dispersive X-rays coupled to scanning electron microscopy and enzymatic activity measurements. We show that a uniform layer was obtained by activating the oxide before immobilization. X-ray Photoelectron Spectroscopy measurements carried out on bulk oxide showed that the silicon substrate signal was fully screened after the enzyme deposition showing the absence of uncovered surface regions. The enzyme presence was detected monitoring both the C 1s and N 1s signals. Finally, enzymatic activity measurements confirmed that the glucose oxidase activity was preserved after immobilization and maintained after three months of shelf life if the sample was properly stored. The importance of using porous silicon oxide to maximize the surface area was also evidenced.
The effect of bulk/surface defects ratio change on the photocatalysis of TiO_2 nanosheet film
International Nuclear Information System (INIS)
Wang, Fangfang; Ge, Wenna; Shen, Tong; Ye, Bangjiao; Fu, Zhengping; Lu, Yalin
Highlights: • The defect behaviors of TiO_2 nanosheet array films were studied by positron annihilation spectroscopy. • Different bulk/surface defect ratios were realized by annealing at different temperature. • It was concluded that bulk defects are mainly Ti"3"+ vacancy defects. • The separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio. - Abstract: The photocatalysis behavior of TiO_2 nanosheet array films was studied, in which the ratio of bulk/surface defects were adjusted by annealing at different temperature. Combining positron annihilation spectroscopy, EPR and XPS, we concluded that the bulk defects belonged to Ti"3"+ related vacancy defects. The results show that the separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio of TiO_2 nanosheet films, and in turn enhancing the photocatalysis behaviors.
The effect of bulk/surface defects ratio change on the photocatalysis of TiO{sub 2} nanosheet film
Energy Technology Data Exchange (ETDEWEB)
Wang, Fangfang [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Ge, Wenna [State Key Laboratory of Particle Detection and Electronics, University of Science and Technology of China, Hefei 230026 (China); Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Shen, Tong [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Ye, Bangjiao [State Key Laboratory of Particle Detection and Electronics, University of Science and Technology of China, Hefei 230026 (China); Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Fu, Zhengping, E-mail: firstname.lastname@example.com [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Lu, Yalin, E-mail: email@example.com [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Synergetic Innovation Center of Quantum Information & Stop Quantum Physics, University of Science and Technology of China, Hefei 230026 (China); National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026, Anhui (China)
Highlights: • The defect behaviors of TiO{sub 2} nanosheet array films were studied by positron annihilation spectroscopy. • Different bulk/surface defect ratios were realized by annealing at different temperature. • It was concluded that bulk defects are mainly Ti{sup 3+} vacancy defects. • The separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio. - Abstract: The photocatalysis behavior of TiO{sub 2} nanosheet array films was studied, in which the ratio of bulk/surface defects were adjusted by annealing at different temperature. Combining positron annihilation spectroscopy, EPR and XPS, we concluded that the bulk defects belonged to Ti{sup 3+} related vacancy defects. The results show that the separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio of TiO{sub 2} nanosheet films, and in turn enhancing the photocatalysis behaviors.
Influence of soft ferromagnetic sections on the magnetic flux density profile of a large grain, bulk Y–Ba–Cu–O superconductor
International Nuclear Information System (INIS)
Philippe, M P; Wéra, L; Fagnard, J-F; Vanderheyden, B; Vanderbemden, P; Ainslie, M D; Dennis, A R; Shi, Y-H; Cardwell, D A
Bulk, high temperature superconductors have significant potential for use as powerful permanent magnets in a variety of practical applications due to their ability to trap record magnetic fields. In this paper, soft ferromagnetic sections are combined with a bulk, large grain Y–Ba–Cu–O high temperature superconductor to form superconductor/ferromagnet hybrid structures. We study how the ferromagnetic sections influence the shape of the profile of the trapped magnetic induction at the surface of each structure and report the surface magnetic flux density measured by Hall probe mapping. These configurations have been modelled using a 2D axisymmetric finite element method based on the H-formulation and the results show excellent qualitative and quantitative agreement with the experimental measurements. The model has also been used to study the magnetic flux distribution and predict the behaviour for other constitutive laws and geometries. The results show that the ferromagnetic material acts as a magnetic shield, but the flux density and its gradient are enhanced on the face opposite to the ferromagnet. The thickness and saturation magnetization of the ferromagnetic material are important and a characteristic ferromagnet thickness d* is derived: below d*, saturation of the ferromagnet occurs, and above d*, a weak thickness-dependence is observed. The influence of the ferromagnet is observed even if its saturation magnetization is lower than the trapped flux density of the superconductor. Conversely, thin ferromagnetic discs can be driven to full saturation even though the outer magnetic field is much smaller than their saturation magnetization. (paper)
A comparative study on optical and magnetic resonance properties of near-surface NV centers in nano and bulk diamond
International Nuclear Information System (INIS)
Frederico Brandao
Using shallow nitrogen-vacancy (NV) centers in diamond for applications in magnetometry requires the generation of stable defects in the NV charge state in sufficiently high density and high quality spin properties. Recent studies reported about NV defects close to the surface created by ion implantation or during chemical vapor deposition growth technique and in nanodiamonds point to a scenario where defects are stabilized in the neutral charge state and that the minority of negatively charged state defects have poor spin properties, i.e.g shorter coherence times compared to NV defects deeply localized in bulk diamond. This undesirable behavior appears to result from the interaction with rapidly fluctuating electric fields created by moving charges at the surface and with interface effects associated with the termination of the diamond surface. Here we report studies of photoluminescence and magnetic resonance properties of shallow NV ensembles created by low energy nitrogen ion implantation in electronic grade diamond substrate and nanodiamonds with low nitrogen concentration. We verified the shallow NV center spin properties through pulsed optically detected magnetic resonance (ODMR) protocols and found longitudinal time constant (T1) of a few milliseconds and transversal relaxation time constant (T2) of a few microseconds for shallow defects implanted in bulk diamond. For nanodiamonds, the T2 coherence time is similar to the case in bulk sample but on the other hand the T1 coherence time is ten times shorter than in bulk. Additionally was found the T2* is around one microsecond for shallow NV defects in bulk samples meanwhile in nanodiamonds it is around twenty nanoseconds. It worth to mention that all the measurements were performed in NV ensembles which show just two ODMR resonance lines with applied magnetic field as if they were magnetically equivalent. In that sense we are trying to apply chirped pulses and Ramsey pulse sequence to check this assumption
A Semi-Analytical Extraction Method for Interface and Bulk Density of States in Metal Oxide Thin-Film Transistors.
Chen, Weifeng; Wu, Weijing; Zhou, Lei; Xu, Miao; Wang, Lei; Ning, Honglong; Peng, Junbiao
A semi-analytical extraction method of interface and bulk density of states (DOS) is proposed by using the low-frequency capacitance-voltage characteristics and current-voltage characteristics of indium zinc oxide thin-film transistors (IZO TFTs). In this work, an exponential potential distribution along the depth direction of the active layer is assumed and confirmed by numerical solution of Poisson's equation followed by device simulation. The interface DOS is obtained as a superposition of constant deep states and exponential tail states. Moreover, it is shown that the bulk DOS may be represented by the superposition of exponential deep states and exponential tail states. The extracted values of bulk DOS and interface DOS are further verified by comparing the measured transfer and output characteristics of IZO TFTs with the simulation results by a 2D device simulator ATLAS (Silvaco). As a result, the proposed extraction method may be useful for diagnosing and characterising metal oxide TFTs since it is fast to extract interface and bulk density of states (DOS) simultaneously.
A Semi-Analytical Extraction Method for Interface and Bulk Density of States in Metal Oxide Thin-Film Transistors
Directory of Open Access Journals (Sweden)
Weifeng Chen
Full Text Available A semi-analytical extraction method of interface and bulk density of states (DOS is proposed by using the low-frequency capacitance–voltage characteristics and current–voltage characteristics of indium zinc oxide thin-film transistors (IZO TFTs. In this work, an exponential potential distribution along the depth direction of the active layer is assumed and confirmed by numerical solution of Poisson's equation followed by device simulation. The interface DOS is obtained as a superposition of constant deep states and exponential tail states. Moreover, it is shown that the bulk DOS may be represented by the superposition of exponential deep states and exponential tail states. The extracted values of bulk DOS and interface DOS are further verified by comparing the measured transfer and output characteristics of IZO TFTs with the simulation results by a 2D device simulator ATLAS (Silvaco. As a result, the proposed extraction method may be useful for diagnosing and characterising metal oxide TFTs since it is fast to extract interface and bulk density of states (DOS simultaneously.
Electrical method for the measurements of volume averaged electron density and effective coupled power to the plasma bulk
Henault, M.; Wattieaux, G.; Lecas, T.; Renouard, J. P.; Boufendi, L.
Nanoparticles growing or injected in a low pressure cold plasma generated by a radiofrequency capacitively coupled capacitive discharge induce strong modifications in the electrical parameters of both plasma and discharge. In this paper, a non-intrusive method, based on the measurement of the plasma impedance, is used to determine the volume averaged electron density and effective coupled power to the plasma bulk. Good agreements are found when the results are compared to those given by other well-known and established methods.
Standard Test Method for Water Absorption, Bulk Density, Apparent Porosity, and Apparent Specific Gravity of Fired Whiteware Products
American Society for Testing and Materials. Philadelphia
1.1 This test method covers procedures for determining water absorption, bulk density, apparent porosity, and apparent specific gravity of fired unglazed whiteware products. 1.2 This standard may involve hazardous materials, operations, and equipment. This standard does not purport to address all of the safety problems associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.
Viscous surface flow induced on Ti-based bulk metallic glass by heavy ion irradiation
Energy Technology Data Exchange (ETDEWEB)
Zhang, Kun [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Hu, Zheng [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Science and Technology on Vehicle Transmission Laboratory, China North Vehicle Research Institute, Beijing 100072 (China); Li, Fengjiang [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Wei, Bingchen, E-mail: firstname.lastname@example.com [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China)
Highlights: • Obvious smoothing and roughening phases on the Ti-based MG surface resulted, which correspond respectively to the normal and off-normal incidence angles. • Atomic force microscopy confirms two types of periodic ripples distributed evenly over the rough surface. • The irradiation-induced viscosity of MG is about 4×10{sup 12} Pa·s, which accords with the theoretical prediction for metallic glasses close to glass transition temperature. • Surface-confined viscous flow plays a dominant quantitative role, which is due to radiation-induced softening of the low-viscosity surface layer. - Abstract: Ti-based bulk metallic glass was irradiated by a 20 MeV Cl{sup 4+} ion beam under liquid-nitrogen cooling, which produced remarkable surface smoothing and roughening that respectively correspond to normal and off-normal incidence angles of irradiation. Atomic force microscopy confirms two types of periodic ripples distributed evenly over the rough glass surface. In terms of mechanism, irradiation-induced viscosity agrees with the theoretical prediction for metallic glasses near glass transition temperature. Here, a model is introduced, based on relaxation of confined viscous flow with a thin liquid-like layer, that explains both surface smoothing and ripple formation. This study demonstrates that bulk metallic glass has high morphological instability and low viscosity under ion irradiation, which assets can pave new paths for metallic glass applications.
Imaging of surface spin textures on bulk crystals by scanning electron microscopy
Akamine, Hiroshi; Okumura, So; Farjami, Sahar; Murakami, Yasukazu; Nishida, Minoru
Direct observation of magnetic microstructures is vital for advancing spintronics and other technologies. Here we report a method for imaging surface domain structures on bulk samples by scanning electron microscopy (SEM). Complex magnetic domains, referred to as the maze state in CoPt/FePt alloys, were observed at a spatial resolution of less than 100 nm by using an in-lens annular detector. The method allows for imaging almost all the domain walls in the mazy structure, whereas the visualisation of the domain walls with the classical SEM method was limited. Our method provides a simple way to analyse surface domain structures in the bulk state that can be used in combination with SEM functions such as orientation or composition analysis. Thus, the method extends applications of SEM-based magnetic imaging, and is promising for resolving various problems at the forefront of fields including physics, magnetics, materials science, engineering, and chemistry.
Surface and bulk modified high capacity layered oxide cathodes with low irreversible capacity loss
Manthiram, Arumugam (Inventor); Wu, Yan (Inventor)
The present invention includes compositions, surface and bulk modifications, and methods of making of (1-x)Li[Li.sub.1/3Mn.sub.2/3]O.sub.2.xLi[Mn.sub.0.5-yNi.sub.0.5-yCo.sub.2- y]O.sub.2 cathode materials having an O3 crystal structure with a x value between 0 and 1 and y value between 0 and 0.5, reducing the irreversible capacity loss in the first cycle by surface modification with oxides and bulk modification with cationic and anionic substitutions, and increasing the reversible capacity to close to the theoretical value of insertion/extraction of one lithium per transition metal ion (250-300 mAh/g).
Glass Formation, Chemical Properties and Surface Analysis of Cu-Based Bulk Metallic Glasses
Directory of Open Access Journals (Sweden)
Akihisa Inoue
Full Text Available This paper reviews the influence of alloying elements Mo, Nb, Ta and Ni on glass formation and corrosion resistance of Cu-based bulk metallic glasses (BMGs. In order to obtain basic knowledge for application to the industry, corrosion resistance of the Cu–Hf–Ti–(Mo, Nb, Ta, Ni and Cu–Zr–Ag–Al–(Nb bulk glassy alloy systems in various solutions are reported in this work. Moreover, X-ray photoelectron spectroscopy (XPS analysis is performed to clarify the surface-related chemical characteristics of the alloy before and after immersion in the solutions; this has lead to a better understanding of the correlation between the surface composition and the corrosion resistance.
Inelastic vibrational bulk and surface losses of swift electrons in ionic nanostructures
Hohenester, Ulrich; Trügler, Andreas; Batson, Philip E.; Lagos, Maureen J.
In a recent paper [Lagos et al., Nature (London) 543, 533 (2017), 10.1038/nature21699] we have used electron energy loss spectroscopy with sub-10 meV energy and atomic spatial resolution to map optical and acoustic, bulk and surface vibrational modes in magnesium oxide nanocubes. We found that a local dielectric description works well for the simulation of aloof geometries, similar to related work for surface plasmons and surface plasmon polaritons, while for intersecting geometries such a description fails to reproduce the rich spectral features associated with excitation of bulk acoustic and optical phonons. To account for scatterings with a finite momentum exchange, in this paper we investigate molecular and lattice dynamics simulations of bulk losses in magnesium-oxide nanocubes using a rigid-ion description and investigate the loss spectra for intersecting electron beams. From our analysis we can evaluate the capability of electron energy loss spectroscopy for the investigation of phonon modes at the nanoscale, and we discuss shortcomings of our simplified approach as well as directions for future investigations.
Interplay between surface and bulk states in the Topological Kondo Insulator SmB6
Biswas, Sangram; Hatnean, Monica Ciomaga; Balakrishnan, Geetha; Bid, Aveek
Kondo insulator SmB6 is predicted to have topologically protected conducting surface states(TSS). We have studied electrical transport through surface states(SS) at ultra-low temperatures in single crystals of SmB6 using local-nonlocal transport scheme and found a large nonlocal signal at temperatures lower than bulk Kondo gap scale. Using resistance fluctuation spectroscopy, we probed the local and nonlocal transport channels and showed that at low temperatures, transport in this system takes place only through SS. The measured noise in this temperature range arises due to Universal Conductance Fluctuations whose statistics was found to be consistent with theoretical predictions for that of 2D systems in the Symplectic symmetry class. We studied the temperature dependence of noise and found that, unlike the topological insulators of the dichalcogenide family, the noise in surface and bulk conduction channels in SmB6 are uncorrelated - at sufficiently low temperatures, the bulk has no discernible contribution to electrical transport in SmB6 making it an ideal platform for probing the physics of TSS. Nanomission, Department of Science & Technology (DST) and Indian Institute of Scienc and EPSRC, UK, Grant EP/L014963/1.
Density functional studies: First principles and semiempirical calculations of clusters and surfaces
International Nuclear Information System (INIS)
Sinnott, S.B.
In the research presented here, various theoretical electronic structure techniques are utilized to analyze widely different systems from silicon clusters to transition metal solids and surfaces. For the silicon clusters, first principles density functional methods are used to investigate Si N for N = 2-8. The goal is to understand the different types of bonding that can occur in such small clusters where the coordination of the atoms differs substantially from that of the stable bulk tetrahedral bonding. Such uncoordinated structures can provide a good test of more approximate theories that can be used eventually to model silicon surfaces, of obvious technological importance. For the transition metal systems, non-self-consistent electronic structure methods are used to provide an understanding of the driving force for surface relaxations. An in-depth analysis of the results is presented and the physical basis of surface relaxation within the theory is discussed. In addition, the limitations inherent in calculations of metal surface relaxation are addressed. Finally, in an effort to increase understanding of approximate methods, a novel non-self-consistent density functional electronic structure method is developed that is ∼1000 times faster computationally than more sophisticated methods. This new method is tested for a variety of systems including diatomics, mixed clusters, surfaces and bulk lattices. The strengths and weaknesses of the new theory are discussed in detail, leading to greater understanding of non-self-consistent density functional theories as a whole
Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis.
Wilde, Markus; Ohno, Satoshi; Ogura, Shohei; Fukutani, Katsuyuki; Matsuzaki, Hiroyuki
Nuclear reaction analysis (NRA) via the resonant (1)H((15)N,αγ)(12)C reaction is a highly effective method of depth profiling that quantitatively and non-destructively reveals the hydrogen density distribution at surfaces, at interfaces, and in the volume of solid materials with high depth resolution. The technique applies a (15)N ion beam of 6.385 MeV provided by an electrostatic accelerator and specifically detects the (1)H isotope in depths up to about 2 μm from the target surface. Surface H coverages are measured with a sensitivity in the order of ~10(13) cm(-2) (~1% of a typical atomic monolayer density) and H volume concentrations with a detection limit of ~10(18) cm(-3) (~100 at. ppm). The near-surface depth resolution is 2-5 nm for surface-normal (15)N ion incidence onto the target and can be enhanced to values below 1 nm for very flat targets by adopting a surface-grazing incidence geometry. The method is versatile and readily applied to any high vacuum compatible homogeneous material with a smooth surface (no pores). Electrically conductive targets usually tolerate the ion beam irradiation with negligible degradation. Hydrogen quantitation and correct depth analysis require knowledge of the elementary composition (besides hydrogen) and mass density of the target material. Especially in combination with ultra-high vacuum methods for in-situ target preparation and characterization, (1)H((15)N,αγ)(12)C NRA is ideally suited for hydrogen analysis at atomically controlled surfaces and nanostructured interfaces. We exemplarily demonstrate here the application of (15)N NRA at the MALT Tandem accelerator facility of the University of Tokyo to (1) quantitatively measure the surface coverage and the bulk concentration of hydrogen in the near-surface region of a H2 exposed Pd(110) single crystal, and (2) to determine the depth location and layer density of hydrogen near the interfaces of thin SiO2 films on Si(100).
Photocatalysis with chromium-doped TiO2: Bulk and surface doping
Ould-Chikh, Samy
The photocatalytic properties of TiO2 modified by chromium are usually found to depend strongly on the preparation method. To clarify this problem, two series of chromium-doped titania with a chromium content of up to 1.56 wt % have been prepared under hydrothermal conditions: the first series (Cr:TiO2) is intended to dope the bulk of TiO2, whereas the second series (Cr/TiO2) is intended to load the surface of TiO2 with Cr. The catalytic properties have been compared in the photocatalytic oxidation of formic acid. Characterization data provides evidence that in the Cr/TiO2 catalysts chromium is located on the surface of TiO2 as amorphous CrOOH clusters. In contrast, in the Cr:TiO 2 series, chromium is mostly dissolved in the titania lattice, although a minor part is still present on the surface. Photocatalytic tests show that both series of chromium-doped titania demonstrate visible-light-driven photo-oxidation activity. Surface-doped Cr/TiO2 solids appear to be more efficient photocatalysts than the bulk-doped Cr:TiO2 counterparts. It\\'s classified! The photocatalytic properties of TiO2 modified by chromium depend strongly on the preparation method. To clarify this problem, two types of modified titania are discussed: one with CrIII doped in the bulk and one with CrOOH clusters on the TiO2 surface (see picture). Both series show visible-light-driven photo-oxidation activity. However, surface modification appears to be a more efficient strategy. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Bulk density of an alfisol under cultivation systems in a long-term experiment evaluated with gamma ray computed tomography
International Nuclear Information System (INIS)
Bamberg, Adilson Luis; Silva, Thiago Rech da; Pauletto, Eloy Antonio; Pinto, Luiz Fernando Spinelli; Lima, Ana Claudia Rodrigues de; Timm, Luis Carlos
The sustainability of irrigated rice (Oryza sativa L.) in lowland soils is based on the use of crop rotation and succession, which are essential for the control of red and black rice. The effects on the soil properties deserve studies, particularly on soil compaction. The objective of this study was to identify compacted layers in an albaqualf under different cultivation and tillage systems, by evaluating the soil bulk density (Ds) with Gamma Ray Computed Tomography (TC). The analysis was carried out in a long-term experiment, from 1985 to 2004, at an experimental station of EMBRAPA Clima Temperado, Capao do Leao, RS, Brazil, in a random block design with seven treatments, with four replications (T1 - one year rice with conventional tillage followed by two years fallow; T2 - continuous rice under conventional tillage; T4 - rice and soybean (Glycine Max L.) rotation under conventional tillage; T5 - rice, soybean and corn (Zea maize L.) rotation under conventional tillage; T6 - rice under no-tillage in the summer in succession to rye-grass (Lolium multiflorum L.) in the winter; T7 - rice under no-tillage and soybean under conventional tillage rotation; T8 - control: uncultivated soil). The Gamma Ray Computed Tomography method did not identify compacted soil layers under no tillage rice in succession to rye-grass; two fallow years in the irrigated rice production system did not prevent the formation of a compacted layer at the soil surface; and in the rice, soybean and corn rotation under conventional tillage two compacted layers were identified (0.0 to 1.5 cm and 11 to 14 cm), indicating that they may restrict the agricultural production in this cultivation system on Albaqualf soils. (author)
Versatile Density Functionals for Computational Surface Science
DEFF Research Database (Denmark)
Wellendorff, Jess
Density functional theory (DFT) emerged almost 50 years ago. Since then DFT has established itself as the central electronic structure methodology for simulating atomicscale systems from a few atoms to a few hundred atoms. This success of DFT is due to a very favorable accuracy-to-computational c......Density functional theory (DFT) emerged almost 50 years ago. Since then DFT has established itself as the central electronic structure methodology for simulating atomicscale systems from a few atoms to a few hundred atoms. This success of DFT is due to a very favorable accuracy...... resampling techniques, thereby systematically avoiding problems with overfitting. The first ever density functional presenting both reliable accuracy and convincing error estimation is generated. The methodology is general enough to be applied to more complex functional forms with higher-dimensional fitting...
Bulk and surface event identification in p-type germanium detectors
Yang, L. T.; Li, H. B.; Wong, H. T.; Agartioglu, M.; Chen, J. H.; Jia, L. P.; Jiang, H.; Li, J.; Lin, F. K.; Lin, S. T.; Liu, S. K.; Ma, J. L.; Sevda, B.; Sharma, V.; Singh, L.; Singh, M. K.; Singh, M. K.; Soma, A. K.; Sonay, A.; Yang, S. W.; Wang, L.; Wang, Q.; Yue, Q.; Zhao, W.
The p-type point-contact germanium detectors have been adopted for light dark matter WIMP searches and the studies of low energy neutrino physics. These detectors exhibit anomalous behavior to events located at the surface layer. The previous spectral shape method to identify these surface events from the bulk signals relies on spectral shape assumptions and the use of external calibration sources. We report an improved method in separating them by taking the ratios among different categories of in situ event samples as calibration sources. Data from CDEX-1 and TEXONO experiments are re-examined using the ratio method. Results are shown to be consistent with the spectral shape method.
Determination of surface recombination velocity and bulk lifetime in detector grade silicon and germanium crystals
International Nuclear Information System (INIS)
Derhacobian, N.; Fine, P.; Walton, J.T.; Wong, Y.K.; Rossington, C.S.; Luke, P.N.
Utility of a noncontact photoconductive decay (PCD) technique is demonstrated in measuring bulk lifetime, τ B , and surface recombination velocity, S, in detector grade silicon and germanium crystals. We show that the simple analytical equations which relate the observed effective lifetimes in PCD transients to τ B and S have a limited range of applicability. The noncontact PCD technique is used to determine the effect of several surface treatments on the observed effective lifetimes in Si and Ge. A degradation of the effective lifetime in Si is reported as result of the growth of a thin layer of native oxide at room temperature under atmospheric conditions
Quantitative surface studies of protein adsorption by infrared spectroscopy. II. Quantification of adsorbed and bulk proteins
International Nuclear Information System (INIS)
Fink, D.J.; Hutson, T.B.; Chittur, K.K.; Gendreau, R.M.
Attenuated total reflectance Fourier transform infrared spectra of surface-adsorbed proteins are correlated with concentration measurements determined by 125 I-labeled proteins. This paper demonstrates that linear correlations between the intensity of the major bands of proteins and the quantity of proteins can be obtained for human albumin and immunoglobulin G up to surface concentrations of approximately 0.25 microgram/cm2. A poorer correlation was observed for human fibrinogen. A linear correlation was also observed between the concentration in the bulk solution and the major bands of albumin up to a concentration of 60 mg/ml
Laser generation of nanostructures on the surface and in the bulk of solids
International Nuclear Information System (INIS)
Bityurin, N M
This paper considers nanostructuring of solid surfaces by nano-optical techniques, primarily by laser particle nanolithography. Threshold processes are examined that can be used for laser structuring of solid surfaces, with particular attention to laser swelling of materials. Fundamental spatial resolution issues in three-dimensional (3D) laser nanostructuring are analysed with application to laser nanopolymerisation and 3D optical information recording. The formation of nanostructures in the bulk of solids due to their structural instability under irradiation is exemplified by photoinduced formation of nanocomposites. (photonics and nanotechnology)
The importance of bulk density determination in gravity data processing for structure interpretation
Wildan, D.; Akbar, A. M.; Novranza, K. M. S.; Sobirin, R.; Permadi, A. N.; Supriyanto
Gravity method use rock density variation for determining subsurface lithology and geological structure. In the "green area" where measurement of rock density has not been done, an attemp to find density is usually performed by calculating using Parasnis method, or by using using the average of rock density in the earth's crust (2,67 gr/cm3) or by using theoritical value of dominant rock density in the survey area (2,90 gr/cm3). Those three values of densities are applied to gravity data analysis in the hilly "X" area. And we have compared all together in order to observed which value has represented the structure better. The result showed that the higher value of rock density, the more obvious structure in the Bouguer anomaly profile. It is due to the contrast of maximum and minimum value of Bouguer anomaly that will affect the exageration in distance vs Bouguer anomaly graphic.
Simulation of Field Dependence of Critical Current Densities of Bulk High Tc Superconducting Materials regarding Thermally Activated Flux Motion
Santosh, M.; Naik, S. Pavan Kumar; Koblischka, M. R.
In the upcoming generation, bulk high temperature superconductors (HTS) will play a crucial and a promising role in numerous industrial applications ranging from Maglev trains to magnetic resonance imaging, etc. Especially, the bulk HTS as permanent magnets are suitable due to the fact that they can trap magnetic fields being several orders of magnitude higher than those of the best hard ferromagnets. The bulk HTS LREBa2Cu3O7-δ (LREBCO or LRE-123, LRE: Y, Gd, etc.,) materials could obtain very powerful compact superconducting super-magnets, which can be operated at the cheaper liquid nitrogen temperature or below due to higher critical temperatures (i.e., ∼90 K). As a result, the new advanced technology can be utilized in a more attractive manner for a variety of technological and medical applications which have the capacity to revolutionize the field. An understanding of the magnetic field dependence of the critical current density (J c(H)) is important to develop better adapted materials. To achieve this goal, a variety of Jc (H) behaviours of bulk LREBCO samples were modelled regarding thermally activated flux motion. In essence, the Jc (H) curves follows a certain criterion where an exponential model is applied. However, to fit the complete Jc (H) curve of the LRE-123 samples an unique model is necessary to explain the behavior at low and high fields. The modelling of the various superconducting materials could be understood in terms of the pinning mechanisms.
Bulk and surface properties of magnesium peroxide MgO2
Esch, Tobit R.; Bredow, Thomas
Magnesium peroxide has been identified in Mg/air batteries as an intermediate in the oxygen reduction reaction (ORR) [1]. It is assumed that MgO2 is involved in the solid-electrolyte interphase on the cathode surface. Therefore its structure and stability play a crucial role in the performance of Mg/air batteries. In this work we present a theoretical study of the bulk and low-index surface properties of MgO2. All methods give a good account of the experimental lattice parameters for MgO2 and MgO bulk. The reaction energies, enthalpies and free energies for MgO2 formation from MgO are compared among the different DFT methods and with the local MP2 method. A pronounced dependence from the applied functional is found. At variance with a previous theoretical study but in agreement with recent experiments we find that the MgO2 formation reaction is endothermic (HSE06-D3BJ: ΔH = 51.9 kJ/mol). The stability of low-index surfaces MgO2 (001) (Es = 0.96 J/m2) and (011) (Es = 1.98 J/m2) is calculated and compared to the surface energy of MgO (001). The formation energy of neutral oxygen vacancies in the topmost layer of the MgO2 (001) surface is calculated and compared with defect formation energies for MgO (001).
Surface and bulk crystallization of amorphous solid water films: Confirmation of "top-down" crystallization
Energy Technology Data Exchange (ETDEWEB)
Yuan, Chunqing; Smith, R. Scott; Kay, Bruce D.
The crystallization kinetics of nanoscale amorphous solid water (ASW) films are investigated using temperature-programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS). TPD measurements are used to probe surface crystallization and RAIRS measurements are used to probe bulk crystallization. Isothermal TPD results show that surface crystallization is independent of the film thickness (from 100 to 1000 ML). Conversely, the RAIRS measurements show that the bulk crystallization time increases linearly with increasing film thickness. These results suggest that nucleation and crystallization begin at the ASW/vacuum interface and then the crystallization growth front propagates linearly into the bulk. This mechanism was confirmed by selective placement of an isotopic layer (5% D2O in H2O) at various positions in an ASW (H2O) film. In this case, the closer the isotopic layer was to the vacuum interface, the earlier the isotopic layer crystallized. These experiments provide direct evidence to confirm that ASW crystallization in vacuum proceeds by a "top-down" crystallization mechanism.
First-principles study of native defects in bulk Sm2CuO4 and its (001) surface structure
Zheng, Fubao; Zhang, Qinfang; Meng, Qiangqiang; Wang, Baolin; Song, Fengqi; Yunoki, Seiji; Wang, Guanghou
Using the first-principles calculations based on the density functional theory, we have studied the bulk defect formation and surface structures of Sm2CuO4. To ensure the accuracy of calculations, the spin order of Cu atoms is rechecked and it is the well-known nearest-neighbor antiferromagnetic ground state, which can be attributed to the hole-mediated superexchange through the strong pdσ hybridization interaction between Cu dx2-y2 electron and the neighboring oxygen px (or py) electron. Under each present experimental condition, the Sm vacancy has a very high formation energy and is unlikely to be stable. The Cu vacancy is a shallow acceptor, which is preferred under O-rich conditions, whereas the O vacancy is a donor and energetically favorable under O-poor conditions. To construct its (001) surface structure, CuOO, CuO, and Cu terminated surfaces are found to be most favorable under different experimental conditions. The stable surface structures are always accompanied by significant surface atomic reconstructions and electron charge redistribution, which are intimately correlated to each other.
Soil Aggregation, Organic Carbon Concentration, and Soil Bulk Density As Affected by Cover Crop Species in a No-Tillage System
Directory of Open Access Journals (Sweden)
Adriano Stephan Nascente
Full Text Available Soil aggregation and the distribution of total organic carbon (TOC may be affected by soil tillage and cover crops. The objective of this study was to determine the effects of crop rotation with cover crops on soil aggregation, TOC concentration in the soil aggregate fractions, and soil bulk density under a no-tillage system (NTS and conventional tillage system (CTS, one plowing and two disking. This was a three-year study with cover crop/rice/cover crop/rice rotations in the Brazilian Cerrado. A randomized block experimental design with six treatments and three replications was used. The cover crops (treatments were: fallow, Panicum maximum, Brachiaria ruziziensis, Brachiaria brizantha, and millet (Pennisetum glaucum. An additional treatment, fallow plus CTS, was included as a control. Soil samples were collected at the depths of 0.00-0.05 m, 0.05-0.10 m, and 0.10-0.20 m after the second rice harvest. The treatments under the NTS led to greater stability in the soil aggregates (ranging from 86.33 to 95.37 % than fallow plus CTS (ranging from 74.62 to 85.94 %. Fallow plus CTS showed the highest number of aggregates smaller than 2 mm. The cover crops affected soil bulk density differently, and the millet treatment in the NTS had the lowest values. The cover crops without incorporation provided the greatest accumulation of TOC in the soil surface layers. The TOC concentration was positively correlated with the aggregate stability index in all layers and negatively correlated with bulk density in the 0.00-0.10 m layer.
Developmental morphology of cover crop species exhibit contrasting behaviour to changes in soil bulk density, revealed by X-ray computed tomography.
Burr-Hersey, Jasmine E; Mooney, Sacha J; Bengough, A Glyn; Mairhofer, Stefan; Ritz, Karl
Plant roots growing through soil typically encounter considerable structural heterogeneity, and local variations in soil dry bulk density. The way the in situ architecture of root systems of different species respond to such heterogeneity is poorly understood due to challenges in visualising roots growing in soil. The objective of this study was to visualise and quantify the impact of abrupt changes in soil bulk density on the roots of three cover crop species with contrasting inherent root morphologies, viz. tillage radish (Raphanus sativus), vetch (Vicia sativa) and black oat (Avena strigosa). The species were grown in soil columns containing a two-layer compaction treatment featuring a 1.2 g cm-3 (uncompacted) zone overlaying a 1.4 g cm-3 (compacted) zone. Three-dimensional visualisations of the root architecture were generated via X-ray computed tomography, and an automated root-segmentation imaging algorithm. Three classes of behaviour were manifest as a result of roots encountering the compacted interface, directly related to the species. For radish, there was switch from a single tap-root to multiple perpendicular roots which penetrated the compacted zone, whilst for vetch primary roots were diverted more horizontally with limited lateral growth at less acute angles. Black oat roots penetrated the compacted zone with no apparent deviation. Smaller root volume, surface area and lateral growth were consistently observed in the compacted zone in comparison to the uncompacted zone across all species. The rapid transition in soil bulk density had a large effect on root morphology that differed greatly between species, with major implications for how these cover crops will modify and interact with soil structure.
Analyses and Comparison of Bulk and Coil Surface Samples from the DWPF Slurry Mix Evaporator
International Nuclear Information System (INIS)
Hay, M.; Nash, C.; Stone, M.
Sludge samples from the DWPF Slurry Mix Evaporator (SME) heating coil frame and coil surface were characterized to identify differences that might help identify heat transfer fouling materials. The SME steam coils have seen increased fouling leading to lower boil-up rates. Samples of the sludge were taken from the coil frame somewhat distant from the coil (bulk tank material) and from the coil surface (coil surface sample). The results of the analysis indicate the composition of the two SME samples are very similar with the exception that the coil surface sample shows ∼5-10X higher mercury concentration than the bulk tank sample. Elemental analyses and x-ray diffraction results did not indicate notable differences between the two samples. The ICP-MS and Cs-137 data indicate no significant differences in the radionuclide composition of the two SME samples. Semi-volatile organic analysis revealed numerous organic molecules, these likely result from antifoaming additives. The compositions of the two SME samples also match well with the analyzed composition of the SME batch with the exception of significantly higher silicon, lithium, and boron content in the batch sample indicating the coil samples are deficient in frit relative to the SME batch composition.
Evidence of a Transition Layer between the Free Surface and the Bulk
Ogieglo, Wojciech
The free surface, a very thin layer at the interface between polymer and air, is considered the main source of the perturbations in the properties of ultrathin polymer films, i.e., nanoconfinement effects. The structural relaxation of such a layer is decoupled from the molecular dynamics of the bulk. The free surface is, in fact, able to stay liquid even below the temperature where the polymer resides in the glassy state. Importantly, this surface layer is expected to have a very sharp interface with the underlying bulk. Here, by analyzing the penetration of n-hexane into polystyrene films, we report on the existence of a transition region, not observed by previous investigations, extending for 12 nm below the free surface. The presence of such a layer permits reconciling the behavior of interfacial layers with current models and has profound implications on the performance of ultrathin membranes. We show that the expected increase in the flux of the permeating species is actually overruled by nanoconfinement.
Temperature dependence of the bulk and surface properties of liquid Zn-Cd alloys
Energy Technology Data Exchange (ETDEWEB)
Awe, O.E. [University of Ibadan, Department of Physics, Ibadan (Nigeria); Azeez, A.A. [African University of Science and Technology, Abuja (Nigeria)
The effects of temperature on the bulk and surface properties of liquid Zn-Cd alloys have been theoretically investigated, using a combination of self association model, Darken's thermodynamic equation for diffusion, empirical model for viscosity and a statistical mechanics model. The results from this study show that change in temperature resulted in cross-over effects in bulk and surface properties. We also found that with an increase in temperature, a pronounced asymmetry of viscosity isotherm is significantly reduced, and viscosity isotherm exhibited anomalous behaviour. Our results reveal that the homocoordination tendency in Zn-Cd liquid alloys is not strong and reduces with increasing temperature. The study further suggests a pronounced segregation of Cd-atoms at the surface of Zn-Cd liquid alloys and the extent of segregation reduces with temperature. We as well found that, in addition to the reported understanding that size-factor determines the compositional location of asymmetry of the viscosity isotherm, temperature is an operating parameter that has effect, not only on the composition of asymmetry, but also on the magnitude of asymmetry. In all the properties investigated, the most pronounced effect of temperature (52.9 %) is on the viscosity while the least effect (7.1 %) is on the surface tension. (orig.)
Evidence of a Transition Layer between the Free Surface and the Bulk
Ogieglo, Wojciech; Tempelman, Kristianne; Napolitano, Simone; Benes, Nieck E.
The free surface, a very thin layer at the interface between polymer and air, is considered the main source of the perturbations in the properties of ultrathin polymer films, i.e., nanoconfinement effects. The structural relaxation of such a layer is decoupled from the molecular dynamics of the bulk. The free surface is, in fact, able to stay liquid even below the temperature where the polymer resides in the glassy state. Importantly, this surface layer is expected to have a very sharp interface with the underlying bulk. Here, by analyzing the penetration of n-hexane into polystyrene films, we report on the existence of a transition region, not observed by previous investigations, extending for 12 nm below the free surface. The presence of such a layer permits reconciling the behavior of interfacial layers with current models and has profound implications on the performance of ultrathin membranes. We show that the expected increase in the flux of the permeating species is actually overruled by nanoconfinement.
Electronic and structural properties of TiB2: Bulk, surface, and nanoscale effects
International Nuclear Information System (INIS)
Volonakis, George; Tsetseris, Leonidas; Logothetidis, Stergios
Titanium diboride (TiB 2 ), is a widely used hard material that comprises graphene-like layers of B and intercalated Ti atoms. Here we report the results of extensive first-principles calculations on key properties of bulk TiB 2 , TiB 2 surfaces, and TiB 2 nanocrystals (NCs). The computational approach is first validated based on the agreement between calculated structural and electronic properties of bulk TiB 2 and available experimental and theoretical data. We then obtain the formation energies for several surface cuts and use these values to construct TiB 2 NCs based on the Wulff theorem. Finally, we demonstrate by studying the adsorption of small molecules that hydrogen and oxygen adatoms can be attached through strongly exothermic chemisorption reactions on TiB 2 surfaces. Likewise, water molecules bind on various TiB 2 surfaces and NC facets, with an energetic preference for the latter. The results are relevant to applications that depend on reactivity-related TiB 2 properties, for example resistance to corrosion and interactions with water-based solutions.
Evidence of a Transition Layer between the Free Surface and the Bulk.
Ogieglo, Wojciech; Tempelman, Kristianne; Napolitano, Simone; Benes, Nieck E
The free surface, a very thin layer at the interface between polymer and air, is considered the main source of the perturbations in the properties of ultrathin polymer films, i.e., nanoconfinement effects. The structural relaxation of such a layer is decoupled from the molecular dynamics of the bulk. The free surface is, in fact, able to stay liquid even below the temperature where the polymer resides in the glassy state. Importantly, this surface layer is expected to have a very sharp interface with the underlying bulk. Here, by analyzing the penetration of n-hexane into polystyrene films, we report on the existence of a transition region, not observed by previous investigations, extending for 12 nm below the free surface. The presence of such a layer permits reconciling the behavior of interfacial layers with current models and has profound implications on the performance of ultrathin membranes. We show that the expected increase in the flux of the permeating species is actually overruled by nanoconfinement.
Effect of product form, compaction, vibration and comminution on energywood bulk density
Tim P. McDonald; Bryce J. Stokes; J.F. McNeel
A study was performed to examine the changes in density of stacked roundwood, chips, and chunks as affected by various compaction treatments. Density of stacked roundwood bolts was tested for the effect of stacking orientation, binding of the stack ends, and species. Stacked bolt wood occupied less than 50 percent of the total rack space for all species, giving final...
Surface conduction of topological Dirac electrons in bulk insulating Bi2Se3
Fuhrer, Michael
The three dimensional strong topological insulator (STI) is a new phase of electronic matter which is distinct from ordinary insulators in that it supports on its surface a conducting two-dimensional surface state whose existence is guaranteed by topology. I will discuss experiments on the STI material Bi2Se3, which has a bulk bandgap of 300 meV, much greater than room temperature, and a single topological surface state with a massless Dirac dispersion. Field effect transistors consisting of thin (3-20 nm) Bi2Se3 are fabricated from mechanically exfoliated from single crystals, and electrochemical and/or chemical gating methods are used to move the Fermi energy into the bulk bandgap, revealing the ambipolar gapless nature of transport in the Bi2Se3 surface states. The minimum conductivity of the topological surface state is understood within the self-consistent theory of Dirac electrons in the presence of charged impurities. The intrinsic finite-temperature resistivity of the topological surface state due to electron-acoustic phonon scattering is measured to be ~60 times larger than that of graphene largely due to the smaller Fermi and sound velocities in Bi2Se3, which will have implications for topological electronic devices operating at room temperature. As samples are made thinner, coherent coupling of the top and bottom topological surfaces is observed through the magnitude of the weak anti-localization correction to the conductivity, and, in the thinnest Bi2Se3 samples (~ 3 nm), in thermally-activated conductivity reflecting the opening of a bandgap.
Biofilm Surface Density Determines Biocide Effectiveness
Directory of Open Access Journals (Sweden)
Sara Bas
Full Text Available High resistance of biofilms for chemical challenges is a serious industrial and medical problem. In this work a gradient of surface covered with biofilm has been produced and correlated to the effectiveness of different commercially available oxidative biocides. The results for thin Escherichia coli biofilms grown in rich media supplemented with glucose or lactose on glass or poly methyl methacrylate surfaces indicate that the effectiveness of hydrogen peroxide or chlorine dioxide and quaternary ammonium compounds is inversely proportional to the fraction of the surface covered with the biofilm. In areas where biofilm covered more than 90% of the available surface the biocide treatment was inefficient after 60 min of incubation. The combined effect of oxidant and surfactant increased the effectiveness of the biocide. On the other hand, the increased biofilm viscoelasticity reduced biocide effectiveness. The results emphasize differential biocide effectiveness depending on the fraction of the attached bacterial cells. The results suggest that biofilm biocide resistance is an acquired property that increases with biofilm maturation. The more dense sessile structures present lower log reductions compared to less dense ones.
Bulk and surface states carried supercurrent in ballistic Nb-Dirac semimetal Cd3As2 nanowire-Nb junctions
Li, Cai Zhen; Li, Chuan; Wang, Li Xian; Wang, Shuo; Liao, Zhi Min; Brinkman, Alexander; Yu, Da Peng
A three-dimensional Dirac semimetal has bulk Dirac cones in all three momentum directions and Fermi arc like surface states, and can be converted into a Weyl semimetal by breaking time-reversal symmetry. However, the highly conductive bulk state usually hides the electronic transport from the
Dynamics and diffusive-conformational coupling in polymer bulk samples and surfaces: a molecular dynamics study
International Nuclear Information System (INIS)
Vree, C; Mayr, S G
The impact of free surfaces on the mobility and conformational fluctuations of model polymer chains is investigated with the help of classical molecular dynamics simulations over a broad temperature range. Below a critical temperature, T*, similar to the critical temperature of the mode coupling theory, the center-of-mass displacements and temporal fluctuations of the radius of gyration of individual chains-as a fingerprint of structural reconfigurations-reveal a strong enhancement close to surfaces, while this effect diminishes with increasing temperature and observation time. Interpreting conformational fluctuations as a random walk in conformational space, identical activation enthalpies for structural reconfigurations and diffusion are obtained within the error bars in the bulk and at the surfaces, thus indicating a coupling of diffusive and conformational dynamics.
Transport properties of high-temperature superconductors: Surface vs bulk effect
International Nuclear Information System (INIS)
Burlachkov, L.; Koshelev, A.E.; Vinokur, V.M.
We investigate surface-related transport properties of high-temperature superconductors. We find the mean vortex velocity under applied transport current determined by the activation energies for vortex penetration and exit through the Bean-Livingston barrier. We determine the current distribution between the surfaces of superconductor and the field and current dependencies of the transport activation energies. For a three-dimensional superconductor the transport activation energy, U s 3D , is found to decrease with the external field, H, and transport current, J, as U s 3D ∝H -1/2 and U s 3D ∝J -1/2 , respectively. In the quasi-two-dimensional compounds, U s 2D decays logarithmically with field and current. The interplay between the surface and the bulk contributions to the transport properties, such as current-voltage characteristics, is discussed. copyright 1996 The American Physical Society
Influences of bulk and surface recombinations on the power conversion efficiency of perovskite solar cells
International Nuclear Information System (INIS)
Xie, Ziang; Sun, Shuren; Yan, Yu; Wang, Wei; Qin, Laixiang; Qin, G G
For a novel kind of solar cell (SC) material, it is critical to estimate how far the power conversion efficiencies (PCEs) of the SCs made of it can go. In 2010 Han and Chen proposed the equation for the ultimate efficiency of SCs without considering the carrier recombination η un . η un is capable of estimating the theoretical upper limits of the SC efficiencies and has attracted much attention. However, carrier recombination, which is one of the key factors influencing the PCEs of the SCs, is ignored in the equation for η un . In this paper, we develop a novel equation to calculate the ultimate efficiency for the SCs, η ur , which considers both the bulk and the surface carrier recombinations. The novel equation for η ur can estimate how much the bulk and the surface carrier recombinations influence the PCEs of the SCs. Moreover, with η ur we can estimate how much PCE improvement space can be gained only by reducing the influence of the carrier recombination to the least. The perovskite organometal trihalide SCs have attracted tremendous attention lately. For the planar CH 3 NH 3 PbI 3 SCs, in the material depth range from 31.25–2000 nm, we apply the equation of η ur to investigate how the bulk and the surface carrier recombinations affect PCE. From a typically reported PCE of 15% for the planar CH 3 NH 3 PbI 3 SC, using the equation of η ur , it is concluded that by reducing the influence of carrier recombination to the least the improvement of PCE is in the range of 17–30%. (paper)
Experimental study on the surface characteristics of Pd-based bulk metallic glass
Energy Technology Data Exchange (ETDEWEB)
Zhang, Xiang; Sun, Bingli [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); Zhao, Na [National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); National Engineering Research Center for Advanced Polymer Processing Technology, Zhengzhou University, Zhengzhou 450002 (China); Li, Qian, E-mail: firstname.lastname@example.com [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); National Engineering Research Center for Advanced Polymer Processing Technology, Zhengzhou University, Zhengzhou 450002 (China); Hou, Jianhua; Feng, Weina [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China)
Highlights: • Wetting behavior of four polymer melts on Pd-based bulk metallic glass was investigated. • From results, in general, the contact angle of polymer on Pd-based BMG decreases with temperature increasing. • We find a critical temperature for each polymer, above this temperature, contact angle on Pd-based BMG does not decrease with temperature increasing. • Surface free energy of Pd-based BMG was estimated by Owens–Wendt method. - Abstract: The metallic glass has many unique and desirable physical and chemical characteristics for their long-range disordered atomic structure, among them the interfacial properties of the metallic glasses are crucial for their applications and manufacturing. In this work, the contact wetting angles between the polymer melts and Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} bulk metallic glass (Pd-BMG) with four kinds of roughness were analyzed. Experiments show the order of four polymers wettability on Pd-BMG was PP > HDPE > COC > PC. The surface free energy of Pd-BMG was estimated by Owens–Wendt method using the contact angles of three testing liquids. Neumann method was also used to further evidence the surface free energy of Pd-BMG comparing with PTFE, mold steels NAK80 and LKM2343ESR. The results provide theoretical and technical supports for the fabrication of metallic glass micro mold and the parameter optimization of polymer micro injection molding.
Electronic and Optical Properties of Titanium Nitride Bulk and Surfaces from First Principles Calculations (Postprint)
properties of TiN bulk and surface structures were previously per- formed,24–35 analysis of the optical properties at an ab initio level for this...TDDFT dielectric functions has shown that the functional is subject to validation with GW-BSE calcula- tions. Analysis of the GW0-BSE results in...al.55) is given by the Cartesian tensor eð2Þab ðxÞ ¼ 4p 2e2 X limq!0 1 q2 P c;v;k2wkdðwkck vk wÞ huckþeaqjuvkihuckþeabqjuvki, where x is in
Disentangling surface, bulk, and space-charge-layer conductivity in Si(111)-(7x7)
DEFF Research Database (Denmark)
Wells, J.W.; Kallehauge, J.F.; Hansen, Torben Mikael
A novel approach for extracting genuine surface conductivities is presented and illustrated using the unresolved example of Si(111)-(7x7). Its temperature-dependent conductivity was measured with a microscopic four point probe between room temperature and 100 K. At room temperature the measured...... conductance corresponds to that expected from the bulk doping level. However, as the temperatures is lowered below approximate to 200 K, the conductance decreases by several orders of magnitude in a small temperature range and it saturates at a low temperature value of approximate to 4x10(-8) Omega(-1...
Mechanically durable underwater superoleophobic surfaces based on hydrophilic bulk metals for oil/water separation
Yu, Huadong; Lian, Zhongxu; Xu, Jinkai; Wan, Yanling; Wang, Zuobin; Li, Yiquan; Yu, Zhanjiang; Weng, Zhankun
Despite the success of previous methods for fabricating underwater superoleophobic surfaces, most of the surfaces based on soft materials are prone to collapse and deformation due to their mechanically fragile nature, and they fail to perform their designed functions after the surface materials are damaged in water. In this work, the nanosecond laser-induced oxide coatings on hydrophilic bulk metals are reported which overcomes the limitation and shows the robust underwater superoleophobicity to a mechanical challenge encountered by surfaces deployed in water environment. The results show that the surface materials have the advantage that the underwater superoleophobicity is still preserved after the surfaces are scratched by knife or sandpaper and even completely destroyed because of the hydrophilic property of damaged materials in water. It is important that the results provide a guide for the design of durable underwater superoleophobic surfaces, and the development of superoleophobic materials in many potential applications such as the oil-repellent and the oil/water separation. Additionally, the nanosecond laser technology is simple, cost-effective and suitable for the large-area and mass fabrication of mechanically durable underwater superoleophobic metal materials.
First-principles investigation of the bulk and low-index surfaces of MoSe_2
International Nuclear Information System (INIS)
Mirhosseini, Hossein; Roma, Guido; Kiss, Janos; Felser, Claudia
In the framework of density functional theory, the geometry, electronic structure, and magnetic properties of the bulk and low index surfaces of MoSe_2 have been studied. We have carried out calculations with various exchange-correlation functionals to select one which is able to describe the van der Waals (vdW) interactions and gives the best geometry compared with experiments. The inclusion of the vdW forces, however, does not guarantee a reliable description for the geometry of this compound: some vdW functionals strongly overestimate the interlayer distance, similar to GGA functionals. Our investigation shows that the recently introduced optB86bvdW functional yields the best results for MoSe_2. The vdW functionals have less impact on the electronic structure: the differences between the band structures of the experimental atomic structure, calculated by the vdW-DF and PBE functionals are marginal. We have tried the HSE06 hybrid functional as well but the results are not satisfactory: the overestimated interlayer distance leads to a significant overestimation of the band gap. The band structure of the bulk and monolayer is calculated and by the analysis of the bands character the indirect to direct band-gap transition is explained. The surface energy, work function and band structure of the surfaces are calculated as well. The role of the MoSe_2 buffer layer in Cu(In,Ga)Se_2 based solar cells is discussed by considering the work function values. (authors)
Effect of sample geometry on bulk relative density of hot-mix asphalt mixes
CSIR Research Space (South Africa)
Anochie-Boateng, Joseph
Full Text Available with different number of cut/cored surfaces. Significant variations in voids were observed in the HMA core and beam samples from the same compacted slabs. The objective of this paper is to present the findings of the effect of specimen geometry and cut surfaces...
X-Ray photoelectron spectroscopy and diffractometry of MnOx catalysts: surface to bulk composition relationships
International Nuclear Information System (INIS)
Zaki, M.I.; Kappenstein, C.
Surface and bulk analyses of variously-composed, synthetic MnO x catalysts were carried out by means of X-ray photoelectron spectroscopy (XPS) and diffractometry (XRD), respectively. The data obtained were processed for a comprehensive assessment of bulk and surface compositions, surface oxidation state, and crystalline size. The XPS data processing revealed that a credible assessment of the surface composition (MnO x (OH) y (OH 2 ) z necessitates: (i) the implementation of experimental sensitivity factors determined on a local reference surface maintaining a close chemical similarity to the test materials, and (ii) the fine evaluation of contributions of various oxygen-containing surface species to the O 1s electron emission. The most prominent result of the present investigation is that the exposure of the bulk composition at the surface is quite proportioned. Such a surface to bulk intimacy is thought to enable genesizing the surface composition appropriate for certain catalytic and selectivity, via a possible control over the bulk formation events. (orig.)
Estimating canopy bulk density and canopy base height for conifer stands in the interior Western United States using the Forest Vegetation Simulator Fire and Fuels Extension.
Seth Ex; Frederick Smith; Tara Keyser; Stephanie Rebain
The Forest Vegetation Simulator Fire and Fuels Extension (FFE-FVS) is often used to estimate canopy bulk density (CBD) and canopy base height (CBH), which are key indicators of crown fire hazard for conifer stands in the Western United States. Estimated CBD from FFE-FVS is calculated as the maximum 4 m running mean bulk density of predefined 0.3 m thick canopy layers (...
The effect of bulk/surface defects ratio change on the photocatalysis of TiO2 nanosheet film
Wang, Fangfang; Ge, Wenna; Shen, Tong; Ye, Bangjiao; Fu, Zhengping; Lu, Yalin
The photocatalysis behavior of TiO2 nanosheet array films was studied, in which the ratio of bulk/surface defects were adjusted by annealing at different temperature. Combining positron annihilation spectroscopy, EPR and XPS, we concluded that the bulk defects belonged to Ti3+ related vacancy defects. The results show that the separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio of TiO2 nanosheet films, and in turn enhancing the photocatalysis behaviors.
RZP 202 - a modular system for surface density measurement
International Nuclear Information System (INIS)
Severa, L.; Merinsky, J.
The sensing element is an ionization chamber of the type that has maximum sensitivity to beta radiation of the used radionuclide ( 147 Pm, 85 Kr, 90 Sr- 90 Y) or to gamma radiation of radionuclide 241 Am. Collimation shields were developed for the said sources. Measurement of the ionization currents is made with an electrometer with a vibration capacitor. Invariable configuration is secured by a measuring arm. The modular units are of the CAMAC system design. The surface density meters measure deviations from the rated surface density. The scale for inputting surface density is linear. The configuration, functional continuity of the individual parts and the possibility of variant designs of surface density meters are described and the technical parameters of RZP 202 and its configuration and design are given
Bulk Densities of Binary Asteroids from the Warm Spitzer NEO Survey
Kistler, John; Trilling, D. E.; Mueller, M.; Hora, J. L.; Harris, A. W.; Bhattacharya, B.; Bottke, W. F.; Chesley, S.; Emery, J. P.; Fazo, G.; Mainzer, A.; Penprase, B.; Smith, H. A.; Spahr, T. B.; Stansberry, J. A.; Thomas, C. A.
The Warm Spitzer NEO survey, ExploreNEOs, will observe approximately 700 Near Earth Asteroids. Several of these objects are known to be binary asteroid systems. Binary systems are interesting due to the unique opportunity they present for determining the masses and densities of their constituent
LABORATORY TESTS ON INSECTICIDAL EFFECTIVENESS OF DISODIUM OCTABORATE TETRAHYDRATE, DIATOMACEOUS EARTH AND AMORPHOUS SILICA GEL AGAINST Sitophilus oryzae (L. AND THEIR EFFECT ON WHEAT BULK DENSITY
Directory of Open Access Journals (Sweden)
Zlatko Korunić
Full Text Available We examined insecticide effectiveness of three different inert dusts: disodium octaborate tetrahydrate (DOT and diatomaceous earth (DE Celatom® Mn 51 applied as powder and suspension, and silica gel Sipernat® 50 S applied as powder against Sitophilus oryzae (L. and their reduction of grain bulk density. Sipernat® 50 S was the most effective dust with a very fast initial effectiveness. DE and DOT generated similar effectiveness against S. oryzae. DOT generated low initial effectiveness but after prolonged exposure time of 8 and especially after 21 days, the mortality was very high (100%, similar to the effectiveness of DE. The similar order of dusts was obtained in the reduction of wheat bulk density. Applied at dose of 200 and 500 ppm, the lowest bulk density difference in regard to bulk density of untreated wheat had DOT (-1.1 and -1.9 kg hl-1, respectively, followed by Celatom® Mn 51 (-3.5 and -4.3 kg hl-1, respectively and Sipernat® 50 S (-5.2 and -5.5 kg hl-1, respectively. Due to the effect on wheat bulk density DOT belongs to the group with the least negative effect on bulk density and therefore, it is a promising dust to control stored grain insect pests.
Silicon surface barrier detectors used for liquid hydrogen density measurement
James, D. T.; Milam, J. K.; Winslett, H. B.
Multichannel system employing a radioisotope radiation source, strontium-90, radiation detector, and a silicon surface barrier detector, measures the local density of liquid hydrogen at various levels in a storage tank. The instrument contains electronic equipment for collecting the density information, and a data handling system for processing this information.
The wetting of planar solid surfaces by symmetric binary mixtures near bulk gas-liquid coexistence
International Nuclear Information System (INIS)
Woywod, Dirk; Schoen, Martin
We investigate the wetting of planar, nonselective solid substrates by symmetric binary mixtures where the attraction strength between like molecules of components A and B is the same, that is ε AA ε BB AB vertical bar ≤ vertical bar ε AA vertical bar, that is by varying the attraction between a pair of unlike molecules. By means of mean-field lattice density functional calculations we observe a rich wetting behaviour as a result of the interplay between ε AB and the attraction of fluid molecules by the solid substrate ε W . In accord with previous studies we observe complete wetting only above the critical end point if the bulk mixture exhibits a moderate to weak tendency to liquid-liquid phase separation even for relatively strong fluid-substrate attraction. However, in this case layering transitions may arise below the temperature of the critical end point. For strongly phase separating mixtures complete wetting is observed for all temperatures T ≥0 along the line of discontinuous phase transitions in the bulk
Molecular surface mesh generation by filtering electron density map.
Giard, Joachim; Macq, Benoît
Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.
Molecular Surface Mesh Generation by Filtering Electron Density Map
Directory of Open Access Journals (Sweden)
Joachim Giard
Full Text Available Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.
Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface
Energy Technology Data Exchange (ETDEWEB)
Buecking, N
In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the
Influence of current density on surface morphology and properties of pulse plated tin films from citrate electrolyte
Energy Technology Data Exchange (ETDEWEB)
Sharma, Ashutosh; Bhattacharya, Sumit; Das, Siddhartha; Das, Karabi, E-mail: email@example.com
Bulk polycrystalline tin films have been processed by pulse electrodeposition technique from a simple solution containing triammonium citrate and stannous chloride. The cathodic investigations have been carried out by galvanostatic methods. As deposited samples are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). XRD analysis of the deposited films shows microcrystalline grains having β-Sn form. The surface morphology is very rough at lower current density, but becomes smooth at higher current density, and exhibits pyramid type morphology at all the current densities. The effect of current density on microhardness, melting behavior, and electrical resistivity are also reported here.
Current Density and Plasma Displacement Near Perturbed Rational Surface
International Nuclear Information System (INIS)
Boozer, A.H.; Pomphrey, N.
The current density in the vicinity of a rational surface of a force-free magnetic field subjected to an ideal perturbation is shown to be the sum of both a smooth and a delta-function distribution, which give comparable currents. The maximum perturbation to the smooth current density is comparable to a typical equilibrium current density and the width of the layer in which the current flows is shown to be proportional to the perturbation amplitude. In the standard linearized theory, the plasma displacement has an unphysical jump across the rational surface, but the full theory gives a continuous displacement.
Is the surface oxygen exchange rate linked to bulk ion diffusivity in mixed conducting Ruddlesden-Popper phases?
Tomkiewicz, Alex C; Tamimi, Mazin A; Huq, Ashfia; McIntosh, Steven
The possible link between oxygen surface exchange rate and bulk oxygen anion diffusivity in mixed ionic and electronic conducting oxides is a topic of great interest and debate. While a large body of experimental evidence and theoretical analyses support a link, observed differences between bulk and surface composition of these materials are hard to reconcile with this observation. This is further compounded by potential problems with simultaneous measurement of both parameters. Here we utilize separate techniques, in situ neutron diffraction and pulsed isotopic surface exchange, to examine bulk ion mobility and surface oxygen exchange rates of three Ruddlesden-Popper phases, general form A(n-1)A(2)'B(n)O(3n+1), A(n-1)A(2)'B(n)X(3n+1); LaSrCo(0.5)Fe(0.5)O(4-δ) (n = 1), La(0.3)Sr(2.7)CoFeO(7-δ) (n = 2) and LaSr3Co(1.5)Fe(1.5)O(10-δ) (n = 3). These measurements are complemented by surface composition determination via high sensitivity-low energy ion scattering. We observe a correlation between bulk ion mobility and surface exchange rate between materials. The surface exchange rates vary by more than one order of magnitude with high anion mobility in the bulk of an oxygen vacancy-rich n = 2 Ruddlesden-Popper material correlating with rapid oxygen exchange. This is in contrast with the similar surface exchange rates which we may expect due to similar surface compositions across all three samples. We conclude that experimental limitations lead to inherent convolution of surface and bulk rates, and that surface exchange steps are not likely to be rate limiting in oxygen incorporation.
The study described in this paper was concerned with the susceptibility to lubrication with magnesium stearate of tablets compressed from granulations based on native starches or on modified celluloses. Different properties of the granulations, like particle size, flowability and surface area, were
Searching for high magnetization density in bulk Fe: the new metastable Fe-6 phase
Energy Technology Data Exchange (ETDEWEB)
Umemoto, K; Himmetoglu, B; Wang, JP; Wentzcovitch, RM; Cococcioni, M
We report the discovery of a new allotrope of iron by first principles calculations. This phase has Pmn2(1) symmetry, a six-atom unit cell (hence the name Fe-6), and the highest magnetization density (M-s) among all the known crystalline phases of iron. Obtained from the structural optimizations of the Fe3C-cementite crystal upon carbon removal, Pmn2(1) Fe-6 is shown to result from the stabilization of a ferromagnetic FCC phase, further strained along the Bain path. Although metastable from 0 to 50 GPa, the new phase is more stable at low pressures than the other well-known HCP and FCC allotropes and smoothly transforms into the FCC phase under compression. If stabilized to room temperature, for example, by interstitial impurities, Fe-6 could become the basis material for high M-s rare-earth-free permament magnets and high-impact applications such as light-weight electric engine rotors or high-density recording media. The new phase could also be key to explaining the enigmatic high M-s of Fe16N2, which is currently attracting intense research activity.
Low-temperature electron irradiation induced defects in gallium arsenide: bulk and surface acoustic wave studies
International Nuclear Information System (INIS)
Brophy, M.J. Jr.
Irradiation of GaAs with 2.25 to 2.5 MeV electrons at temperatures below 190 K produces two peaks in ultrasonic attenuation versus temperature. The defects responsible for both peaks have trigonal symmetry and were observed in n-type and semi-insulating GaAs with bulk and surface acoustic waves (SAW) respectively. Bulk waves at eight frequencies between 9 and 130 MHz and SAW at 73 and 145 MHz were used. The reorientation kinetics of both peaks follow the Arrhenius law. The annealing of both peaks was studied with isochronal and isothermal anneals in the temperature range 200 to 335 K. Peak I anneals with a spectrum of activation energies in the range 0.7-1.1 eV between 220 and 335 K. Peak II anneals with a single activation energy of about 1.1 eV above 300K. The different annealing characteristics indicate that these peaks represent two distinct defects. The annealing above 300 K has not been seen in electrical resistivity measurements, but was observed in earlier length change experiments. Irradiation of GaAs:Cr produces no Cr-radiation defect complexes. The attenuation peak associated with Cr 2+ decrease with electron dose, but starts to recover at 150 K
Surface Casimir densities and induced cosmological constant on parallel branes in AdS spacetime
International Nuclear Information System (INIS)
Saharian, Aram A.
Vacuum expectation value of the surface energy-momentum tensor is evaluated for a massive scalar field with general curvature coupling parameter subject to Robin boundary conditions on two parallel branes located on (D+1)-dimensional anti-de Sitter bulk. The general case of different Robin coefficients on separate branes is considered. As a regularization procedure the generalized zeta function technique is used, in combination with contour integral representations. The surface energies on the branes are presented in the form of the sums of single brane and second brane-induced parts. For the geometry of a single brane both regions, on the left (L-region) and on the right (R-region), of the brane are considered. The surface densities for separate L- and R-regions contain pole and finite contributions. For an infinitely thin brane taking these regions together, in odd spatial dimensions the pole parts cancel and the total surface energy is finite. The parts in the surface densities generated by the presence of the second brane are finite for all nonzero values of the interbrane separation. It is shown that for large distances between the branes the induced surface densities give rise to an exponentially suppressed cosmological constant on the brane. In the Randall-Sundrum braneworld model, for the interbrane distances solving the hierarchy problem between the gravitational and electroweak mass scales, the cosmological constant generated on the visible brane is of the right order of magnitude with the value suggested by the cosmological observations
Tunneling spectroscopy on semiconductors with a low surface state density
Sommerhalter, Christof; Matthes, Thomas W.; Boneberg, Johannes; Leiderer, Paul; Lux-Steiner, Martha Christina
A detailed study of tunneling spectroscopy concerning semiconductors with a low surface state density is presented. For this purpose, I V curves under dark conditions and under illumination were measured on the (0001) van der Waals surface of a p-type WS2 single crystal, which is known to be free of intrinsic surface states. The measurements are interpreted by an analytical one-dimensional metal-insulator-semiconductor model, which shows that the presence of the finite tunneling current has ...
Surface effects on mean inner potentials studied using density functional theory
Energy Technology Data Exchange (ETDEWEB)
Pennington, Robert S., E-mail: email@example.com [Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm (Germany); Boothroyd, Chris B.; Dunin-Borkowski, Rafal E. [Ernst Ruska-Centre and Peter Grüneberg Institute, Forschungzentrum Jülich, 52425 Jülich (Germany)
Quantitative materials characterization using electron holography frequently requires knowledge of the mean inner potential, but reported experimental mean inner potential measurements can vary widely. Using density functional theory, we have simulated the mean inner potential for materials with a range of different surface conditions and geometries. We use both "thin-film" and "nanowire" specimen geometries. We consider clean bulk-terminated surfaces with different facets and surface reconstructions using atom positions from both structural optimization and experimental data and we also consider surfaces both with and without adsorbates. We find that the mean inner potential is surface-dependent, with the strongest dependency on surface adsorbates. We discuss the outlook and perspective for future mean inner potential measurements. - Highlights: • Density functional theory (DFT) is used to simulate mean inner potentials (MIP). • Applications for MIP electron holography measurements are considered. • MIPs are found to be surface-dependent, for thin-film and nanowire geometries. • The DFT simulation precision is extensively tested for multiple materials. • Surface adsorbates can create a strong positive or negative effect.
Surface density of spacetime degrees of freedom from equipartition law in theories of gravity
International Nuclear Information System (INIS)
Padmanabhan, T.
I show that the principle of equipartition, applied to area elements of a surface ∂V which are in equilibrium at the local Davies-Unruh temperature, allows one to determine the surface number density of the microscopic spacetime degrees of freedom in any diffeomorphism invariant theory of gravity. The entropy associated with these degrees of freedom matches with the Wald entropy for the theory. This result also allows one to attribute an entropy density to the spacetime in a natural manner. The field equations of the theory can then be obtained by extremizing this entropy. Moreover, when the microscopic degrees of freedom are in local thermal equilibrium, the spacetime entropy of a bulk region resides on its boundary.
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
DEFF Research Database (Denmark)
Wellendorff, Jess; Lundgård, Keld Troen; Møgelhøj, Andreas
A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding the overfit......A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding...... the energetics of intramolecular and intermolecular, bulk solid, and surface chemical bonding, and the developed optimization method explicitly handles making the compromise based on the directions in model space favored by different materials properties. The approach is applied to designing the Bayesian error...... sets validates the applicability of BEEF-vdW to studies in chemistry and condensed matter physics. Applications of the approximation and its Bayesian ensemble error estimate to two intricate surface science problems support this....
Quantum information aspects on bulk and nano interacting Fermi system: A spin-space density matrix approach
Energy Technology Data Exchange (ETDEWEB)
Afzali, R., E-mail: firstname.lastname@example.com [Department of Physics, K. N. Toosi University of Technology, Tehran, 15418 (Iran, Islamic Republic of); Ebrahimian, N., E-mail: firstname.lastname@example.com [Department of Physics, Faculty of Basic Sciences, Shahed University, Tehran, 18155-159 (Iran, Islamic Republic of); Eghbalifar, B., E-mail: email@example.com [Department of Agricultural Management, Marvdasht Branch, Azad University, Marvdasht (Iran, Islamic Republic of)
Highlights: • In contrast to a s-wave superconductor, the quantum correlation of the d-wave superconductor is sensitive to the change of the gap magnitude. • Quantum discord of the d-wave superconductor oscillates. • Quantum discord becomes zero at a characteristic length of the d-wave superconductor. • Quantum correlation strongly depends on the length of grain. Length of the superconductor lower, the quantum correlation length higher. • Quantum tripartite entanglement for a nano-scale d-wave superconductor is better than for a bulk d-wave superconductor. - Abstract: By approximating the energy gap, entering nano-size effect via gap fluctuation and calculating the Green's functions and the space-spin density matrix, the dependence of quantum correlation (entanglement, discord and tripartite entanglement) on the relative distance of two electron spins forming Cooper pairs, the energy gap and the length of bulk and nano interacting Fermi system (a nodal d-wave superconductor) is determined. In contrast to a s-wave superconductor, quantum correlation of the system is sensitive to the change of the gap magnitude and strongly depends on the length of the grain. Also, quantum discord oscillates. Furthermore, the entanglement length and the correlation length are investigated. Discord becomes zero at a characteristic length of the d-wave superconductor.
Size constraints on a Majorana beam-splitter interferometer: Majorana coupling and surface-bulk scattering
Røising, Henrik Schou; Simon, Steven H.
Topological insulator surfaces in proximity to superconductors have been proposed as a way to produce Majorana fermions in condensed matter physics. One of the simplest proposed experiments with such a system is Majorana interferometry. Here we consider two possibly conflicting constraints on the size of such an interferometer. Coupling of a Majorana mode from the edge (the arms) of the interferometer to vortices in the center of the device sets a lower bound on the size of the device. On the other hand, scattering to the usually imperfectly insulating bulk sets an upper bound. From estimates of experimental parameters, we find that typical samples may have no size window in which the Majorana interferometer can operate, implying that a new generation of more highly insulating samples must be explored.
Study of surface and bulk instabilities in MHD duct flow with imitation of insulator coating imperfections
Energy Technology Data Exchange (ETDEWEB)
Xu Zengyu [Southwestern Institute of Physics, P.O. Box 432, Chengdu, Sichuan 610041 (China)]. E-mail: email@example.com; Pan Chuanjie [Southwestern Institute of Physics, P.O. Box 432, Chengdu, Sichuan 610041 (China); Wei Wenhao [Southwestern Institute of Physics, P.O. Box 432, Chengdu, Sichuan 610041 (China); Kang Weishan [Southwestern Institute of Physics, P.O. Box 432, Chengdu, Sichuan 610041 (China)
MHD phenomena in a duct flow were studied experimentally by using copper electrodes inserted into the wall of a perfectly insulated duct. The electrodes were connected using a copper wire to imitate different insulator coating imperfection conditions. The experimental results show instabilities of electric potential at the wall (surface instabilities) as well as instabilities in the pressure and velocity (bulk instabilities). The instabilities are strongly dependent on the scale of the copper wire. Three different cases were studied (at the same flow regimes, but with different electrode connections), where the potential at the duct wall is smaller, equal to or higher than the product of duct diameter 2a and transverse magnetic field B and average velocity V . MHD pressure drop {delta}P also exhibits significant changes.
Bulk Fermi surface and electronic properties of Cu0.07Bi2Se3
Martin, C.; Craciun, V.; Miller, K. H.; Uzakbaiuly, B.; Buvaev, S.; Berger, H.; Hebard, A. F.; Tanner, D. B.
The electronic properties of Cu0.07Bi2Se3 have been investigated using Shubnikov-de Haas and optical reflectance measurements. Quantum oscillations reveal a bulk, three-dimensional Fermi surface with anisotropy kFc/kFab≈ 2 and a modest increase in free-carrier concentration and in scattering rate with respect to the undoped Bi2Se3, also confirmed by reflectivity data. The effective mass is almost identical to that of Bi2Se3. Optical conductivity reveals a strong enhancement of the bound impurity bands with Cu addition, suggesting that a significant number of Cu atoms enter the interstitial sites between Bi and Se layers or may even substitute for Bi. This conclusion is also supported by x-ray diffraction measurements, where a significant increase of microstrain was found in Cu0.07Bi2Se3, compared to Bi2Se3.
Systematic study of transport via surface and bulk states in Bi2Te3 topological insulator
de Castro, S.; Peres, M. L.; Chitta, V. A.; Gratens, X.; Soares, D. A. W.; Fornari, C. I.; Rappl, P. H. O.; Abramof, E.; Oliveira, N. F., Jr.
We performed magnetoresistance measurements on Bi2Te3 thin film in the temperature range of T = 1.2-4.0 K and for magnetic fields up to 2 T. The curves exhibited anomalous behavior for temperatures below 4.0 K. Different temperature intervals revealed electrical transport through different conductive channels with clear signatures of weak antilocalization. The magnetoresistance curves were explained using the Hikami-Larkin-Nagaoka model and the 2D Dirac modified model. The comparison between the parameters obtained from the two models revealed the transport via topological surface states and bulk states. In addition, a superconductive like transition is observed for the lowest temperatures and we suggest that this effect can be originated from the misfit dislocations caused by strain, giving rise to a superconductive channel between the interface of the film and the substrate.
Evaluation of Bulk and Surface Radiation Damage of Silicon Sensors for the ATLAS Upgrade
Mikeštíková, Marcela; Št'astný, Jan
The electrical characteristics of different types of end-cap miniature n + -in- p strip sensors, ATLAS12A, were evaluated in Institute of Physics in Prague before and after proton and gamma irradiation. We report here on the bulk damage aspects, including the increase of leakage current and evaluation of the full depletion voltage and the surface damage, including the decrease of inter-strip resistance, changes in inter-strip capacitance and the effectiveness of punch-through protection structure. It was verified that different geometries of end-cap sensors do not influence their stability; the sensors should provide acceptable strip isolation and n ew gate PTP structure functions well even at the highest tested proton fluence 2× 10 15 n eq / cm 2
Critical current density improvements in MgB2 superconducting bulk samples by K2CO3 additions
DEFF Research Database (Denmark)
Grivel, J.-C.
MgB2 bulk samples with potassium carbonate doping were made by means of reaction of elemental Mg and B powders mixed with various amounts of K2CO3. The Tc of the superconducting phase as well as its a-axis parameter were decreased as a result of carbon doping. Potassium escaped the samples during...... reaction. The critical current density of MgB2 was improved both in self field and under applied magnetic field for T ≤ 30 K, with optimum results for 1 mol% K2CO3 addition. The normalized flux pinning force (f(b)) shows that the flux pinning mechanism at low field is similar for all samples, following...
Influence of shrub cover vegetal and slope length on soil bulk density
International Nuclear Information System (INIS)
Bienes, R.; Jimenez, R.; Ruiz, M.; Garcia-Estringana, P.; Marques, M. J.
In arid and semiarid environments of the Mediterranean climate, the shrub species play an important role in the revegetation of abandoned lands, which enables to control the soil losses, organic material and water. In this article are compared the results obtained under different revegetation in abandoned lands in the central area of Spain. In these revegetation has been used two native shrubs: A triplex halimus (Ah) and Retama sphaerocarpa (Rs), and were analyzed the influence of these revegetation in the contents of organic material of soil and apparent density in 5 years time after planting. As control, have been considered the pieces of ground with spontaneous vegetation abandoned in the same date that the shrubs revegetation. Atriplex halimus gives to the soil a covering capable to intercept a big amount of water drops absorbing a great amount part of the kinetic energy of the rain, while provides a microclimates as a result of be able to soften the wind, the temperature and the evaporation-transpiration, which makes it efficient to control the erosion and the desertification (Le Houerou, 2000). Retama sphaerocarpa was chosen because it is a native shrub very characteristic, and, due to its symbiosis with the Bradyrhizobium, enriches the soil in nitrogen, which is taken by the nitrophilous species enhancing the spontaneous vegetal covering. (Author) 9 refs.
Wireless Sensor Node for Surface Seawater Density Measurements
Directory of Open Access Journals (Sweden)
Roberto Saletti
Full Text Available An electronic meter to measure surface seawater density is presented. It is based on the measurement of the difference in displacements of a surface level probe and a weighted float, which according to Archimedes' law depends on the density of the water. The displacements are simultaneously measured using a high-accuracy magnetostrictive sensor, to which a custom electronic board provides a wireless connection and power supply so that it can become part of a wireless sensor network. The electronics are designed so that different kinds of wireless networks can be used, by simply changing the wireless module and the relevant firmware of the microcontroller. Lastly, laboratory and at-sea tests are presented and discussed in order to highlight the functionality and the performance of a prototype of the wireless density meter node in a Bluetooth radio network. The experimental results show a good agreement of the values of the calculated density compared to reference hydrometer readings.
Wireless sensor node for surface seawater density measurements.
Baronti, Federico; Fantechi, Gabriele; Roncella, Roberto; Saletti, Roberto
An electronic meter to measure surface seawater density is presented. It is based on the measurement of the difference in displacements of a surface level probe and a weighted float, which according to Archimedes' law depends on the density of the water. The displacements are simultaneously measured using a high-accuracy magnetostrictive sensor, to which a custom electronic board provides a wireless connection and power supply so that it can become part of a wireless sensor network. The electronics are designed so that different kinds of wireless networks can be used, by simply changing the wireless module and the relevant firmware of the microcontroller. Lastly, laboratory and at-sea tests are presented and discussed in order to highlight the functionality and the performance of a prototype of the wireless density meter node in a Bluetooth radio network. The experimental results show a good agreement of the values of the calculated density compared to reference hydrometer readings.
Bulk and Surface Aqueous Speciation of Calcite: Implications for Low-Salinity Waterflooding of Carbonate Reservoirs
Yutkin, Maxim P.
calcite bulk and surface equilibria draws several important inferences about the proposed LSW oil-recovery mechanisms. Diffuse double-layer expansion (DLE) is impossible for brine ionic strength greater than 0.1 molar. Because of rapid rock/brine equilibration, the dissolution mechanism for releasing adhered oil is eliminated. Also, fines mobilization and concomitant oil release cannot occur because there are few loose fines and clays in a majority of carbonates. LSW cannot be a low-interfacial-tension alkaline flood because carbonate dissolution exhausts all injected base near the wellbore and lowers pH to that set by the rock and by formation CO2. In spite of diffuse double-layer collapse in carbonate reservoirs, surface ion-exchange oil release remains feasible, but unproved.
Ab initio-based bulk and surface thermodynamics of InGaN alloys. Investigating the effects of strain and surface polarity
Energy Technology Data Exchange (ETDEWEB)
Duff, Andrew I.; Lymperakis, Liverios; Neugebauer, Joerg [Max-Planck-Institut fuer Eisenforschung, Duesseldorf (Germany)
The growth of high In content InGaN with sufficiently high crystal quality is challenging due to the differences in the GaN and InN thermodynamics. The surprisingly different thermodynamics is due to a complex competition between strain and chemistry and mediated by the different indium and gallium atomic radii as well as their different bonding enthalpies with nitrogen. In the present work, we investigate bulk and surface thermodynamics of molecular beam epitaxial (MBE) growth of In{sub x}Ga{sub 1-x}N for the technologically relevant (0001) and (000 anti 1) growth planes by means of density functional theory calculations. Our calculations confirm that coherent growth fully suppresses phase separation through spinodal decomposition. However, the biaxial strain is found to have a marginal effect on the critical temperatures for In{sub x}Ga{sub 1-x}N decomposition. Furthermore, the thermal stability of excess indium is found to be remarkably higher on N-polar surfaces than on the Ga-polar surfaces. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Surface tension and density of liquid In-Sn-Zn alloys
Pstruś, Janusz
Using the dilatometric method, measurements of the density of liquid alloys of the ternary system In-Sn-Zn in four sections with a constant ratio Sn:In = 24:1, 3:1, 1:1, 1:3, for various Zn additions (5, 10, 14, 20, 3 5, 50 and 75 at.% Zn) were performed at the temperature ranges of 500-1150 K. Density decreases linearly for all compositions. The molar volume calculated from density data exhibits close to ideal dependence on composition. Measurements of the surface tension of liquid alloys have been conducted using the method of maximum pressure in the gas bubbles. There were observed linear dependences on temperature with a negative gradients dσ/dT. Generally, with two exceptions, there was observed the increase of surface tension with increasing content of zinc. Using the Butler's model, the surface tension isotherms were calculated for temperatures T = 673 and 1073 K. Calculations show that only for high temperatures and for low content of zinc (up to about 35 at.%), the modeling is in very good agreement with experiment. Using the mentioned model, the composition of the surface phase was defined at two temperatures T = 673 and 973 K. Regardless of the temperature and of the defined section, the composition of the bulk is very different in comparison with the composition of the surface.
Improved density functional calculations for atoms, molecules and surfaces
International Nuclear Information System (INIS)
Fricke, B.; Anton, J.; Fritzsche, S.; Sarpe-Tudoran, C.
The non-collinear and collinear descriptions within relativistic density functional theory is described. We present results of both non-collinear and collinear calculations for atoms, diatomic molecules, and some surface simulations. We find that the accuracy of our density functional calculations for the smaller systems is comparable to good quantum chemical calculations, and thus this method provides a sound basis for larger systems where no such comparison is possible. (author)
Pressure and surface tension of solid-liquid interface using Tara zona density functional theory
International Nuclear Information System (INIS)
Moradi, M.; Kavosh Tehrani, M.
The weighted density functional theory proposed by Tara zona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this research we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is pitted in three dimensions. We also calculate the pressure and compare it with the Carnahan-Starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation
Pressure and surface tension of soild-liquid interface using Tarazona density functional theory
Directory of Open Access Journals (Sweden)
Full Text Available The weighted density functional theory proposed by Tarazona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this resarch we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is plotted in three dimensions. We also calculate the pressure and compare it with the Carnahan-starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation.
Calibration, field-testing, and error analysis of a gamma-ray probe for in situ measurement of dry bulk density
International Nuclear Information System (INIS)
Bertuzzi, P.; Bruckler, L.; Gabilly, Y.; Gaudu, J.C.
This paper describes a new gamma-ray probe for measuring dry bulk density in the field. This equipment can be used with three different tube spacings (15, 20 and 30 cm). Calibration procedures and local error analyses are proposed for two cases: (1) for the case where the access tubes are parallel, calibration equations are given for three tube spacings. The linear correlation coefficient obtained in the laboratory is satisfactory (0.999), and a local error analysis shows that the standard deviation in the measured dry bulk density is small (+/- 0.02 g/cm 3 ); (2) when the access tubes are not parallel, a new calibration procedure is presented that accounts for and corrects measurement bias due to the deviating probe spacing. The standard deviation associated with the measured dry bulk density is greater (+/- 0.05 g/cm 3 ), but the measurements themselves are regarded as unbiased. After comparisons of core samplings and gamma-ray probe measurements, a field validation of the gamma-ray measurements is presented. Field validation was carried out on a variety of soils (clay, clay loam, loam, and silty clay loam), using gravimetric water contents that varied from 0.11 0.27 and dry bulk densities ranging from 1.30-1.80 g°cm -3 . Finally, an example of dry bulk density field variability is shown, and the spatial variability is analyzed in regard to the measurement errors
First-principles simulations of iron with nitrogen: from surface adsorption to bulk diffusion
International Nuclear Information System (INIS)
Wu, M H; Liu, X H; Gu, J F; Jin, Z H
Adsorption, absorption and diffusion pathways of nitrogen are studied for ferromagnetic body-centered cubic iron via spin-polarized density functional theory in combination with the climbing image nudged elastic band method. The computed data suggest that, depending on the coverage of N atoms, N prefers to stay on particular surface sites. Once pinned down well below the surface, N prefers to move into octahedral interstices rather than tetrahedral interstices. However, the tetrahedral interstices are crucial because they act as transition states and yield the saddle point energies of the corresponding minimum energy pathways. In comparison with carbon, we found that nitrogen prefers a different pathway from the (1 0 0) surface to the subsurface due to its strong repulsive interaction with Fe ions. (paper)
Magnetic properties and critical current density of bulk MgB2 polycrystalline with Bi-2212 addition
International Nuclear Information System (INIS)
Shen, T M; Li, G; Zhu, X T; Cheng, C H; Zhao, Y
Bulk samples of MgB 2 were prepared with 0, 3, 5, and 10 wt% Bi 2 Sr 2 CaCu 2 O 8 (Bi-2212) particles, added using a simple solid-state reaction route in order to investigate the effect of inclusions of a material with higher T c than the superconducting matrix. The density, diamagnetic signal, and critical current density, J c , of the samples change significantly with the doping level. It is found that J c is significantly enhanced by the Bi-2212 addition. Microstructural analysis indicates that a small amount of Bi-2212 is decomposed into Cu 2 O and other impurity phases while a significant amount of unreacted Bi-2212 particles remains in MgB 2 matrix, and these act as effective pinning centres for vortices. The enhanced pinning force is mainly attributable to these highly dispersed inclusions inserted in the MgB 2 grains. Despite the effectiveness of the high-T c inclusions in increasing superconducting critical currents in our experiment, our results seem to demonstrate the superiority of attractive centres over repulsive ones. A pinning mechanism is proposed to account for the contribution of this type of pinning centre in MgB 2 superconductors. (rapid communication)
Polarization Dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part I. 3d Transition Metals
Ueda, Shigenori; Hamada, Ikutaro
The X-ray polarization dependent valence band HAXPES spectra of 3d transition metals (TMs) of Ti-Zn were measured to investigate the orbital resolved electronic structures by utilizing that the fact the photoionization cross-section of the atomic orbitals strongly depends on the experimental geometry. We have calculated the HAXPES spectra, which correspond to the cross-section weighted densities of states (CSW-DOSs), where the DOSs were obtained by the density functional theory calculations, and we have determined the relative photoionization cross-sections of the 4s and 4p orbitals to the 3d orbital in the 3d TMs. The experimentally obtained bulk-sensitive 3d and 4s DOSs were good agreement with the calculated DOSs in Ti, V, Cr, and Cu. In contrast, the deviations between the experimental and calculated 3d DOSs for Mn, Fe, Co, Ni were found, suggesting that the electron correlation plays an important role in the electronic structures for these materials.
First bulk and surface results for the ATLAS ITk stereo annulus sensors
Abidi, Syed Haider; The ATLAS collaboration; Bohm, Jan; Botte, James Michael; Ciungu, Bianca; Dette, Karola; Dolezal, Zdenek; Escobar, Carlos; Fadeyev, Vitaliy; Fernandez-Tejero, Xavi; Garcia-Argos, Carlos; Gillberg, Dag; Hara, Kazuhiko; Hunter, Robert Francis Holub
A novel microstrip sensor geometry, the "stereo annulus", has been developed for use in the end-cap of the ATLAS experiment's strip tracker upgrade at the High-Luminosity Large Hadron Collider (HL- LHC). The radiation-hard, single-sided, ac-coupled, n + -in-p microstrip sensors are designed by the ITk Strip Sensor Collaboration and produced by Hamamatsu Photonics. The stereo annulus design has the potential to revolutionize the layout of end-cap microstrip trackers promising better tracking performance and more complete coverage than the contemporary configurations. These advantages are achieved by the union of equal length, radially oriented strips with a small stereo angle implemented directly into the sensor surface. The first-ever results for the stereo annulus geometry have been collected across several sites world- wide and are presented here. A number of full-size, unirradiated sensors were evaluated for their mechanical, bulk, and surface properties. The new device, the ATLAS12EC, is compared ag...
Bulk chirality effect for symmetric bistable switching of liquid crystals on topologically self-patterned degenerate anchoring surface.
Park, Min-Kyu; Joo, Kyung-Il; Kim, Hak-Rin
We demonstrate a bistable switching liquid crystal (LC) mode utilizing a topologically self-structured dual-groove surface for degenerated easy axes of LC anchoring. In our study, the effect of the bulk elastic distortion of the LC directors on the bistable anchoring surface is theoretically analyzed for balanced bistable states based on a free energy diagram. By adjusting bulk LC chirality, we developed ideally symmetric and stable bistable anchoring and switching properties, which can be driven by a low in-plane pulsed field of about 0.7 V/µm. The fabricated device has a contrast ratio of 196:1.
Enhancement of short-circuit current density in polymer bulk heterojunction solar cells comprising plasmonic silver nanowires
Energy Technology Data Exchange (ETDEWEB)
Yang, Yuzhao; Lin, Xiaofeng; Ou, Jiemei; Chen, Xudong, E-mail: firstname.lastname@example.com, E-mail: firstname.lastname@example.com, E-mail: email@example.com [Key Laboratory for Polymeric Composite and Functional Materials of Ministry of Education of China, Sun Yat-sen University, Guangzhou 510275 (China); Qing, Jian; Zhong, Zhenfeng; Zhou, Xiang, E-mail: email@example.com, E-mail: email@example.com, E-mail: firstname.lastname@example.com; Chen, Yujie, E-mail: firstname.lastname@example.com, E-mail: firstname.lastname@example.com, E-mail: firstname.lastname@example.com [State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275 (China); Hu, Chenglong [Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education, Jianghan University, Wuhan 430056 (China)
We demonstrate that the influence of plasmonic effects based on silver nanowires (Ag NWs) on the characteristics of polymer solar cells (PSCs). The solution-processed Ag NWs are situated at the interface of anode buffer layer and active layer, which could enhance the performance especially the photocurrent of PSCs by scattering, localized surface plasmon resonance, and surface plasmon polaritons. Plasmonic effects are confirmed by the enhancement of extinction spectra, external quantum efficiency, and steady state photoluminescence. Consequently, the short-circuit current density (J{sub sc}) and power conversion efficiency enhance about 24% and 18%, respectively, under AM1.5 illumination when Ag NWs plasmonic nanostructure incorporated into PSCs.
Power Spectral Density Evaluation of Laser Milled Surfaces
Directory of Open Access Journals (Sweden)
Raoul-Amadeus Lorbeer
Full Text Available Ablating surfaces with a pulsed laser system in milling processes often leads to surface changes depending on the milling depth. Especially if a constant surface roughness and evenness is essential to the process, structural degradation may advance until the process fails. The process investigated is the generation of precise thrust by laser ablation. Here, it is essential to predict or rather control the evolution of the surfaces roughness. Laser ablative milling with a short pulse laser system in vacuum (≈1 Pa were performed over depths of several 10 µm documenting the evolution of surface roughness and unevenness with a white light interference microscope. Power spectral density analysis of the generated surface data reveals a strong influence of the crystalline structure of the solid. Furthermore, it was possible to demonstrate that this effect could be suppressed for gold.
A study to assess the role of bulk density of process load in "6"0Co based food irradiation facility
International Nuclear Information System (INIS)
Sanyal, Bhaskar; Prakasan, V.; Chawla, S.P.; Ghosh, Sunil K.
Radiation processing of foods and allied products is one of the important techniques to extend shelf-life. The success of this technology depends on the adequate dose delivery to the food products. The absorbed doses are functions of several irradiation parameters based on the design of the facility. The variable bulk density of the process load is of paramount importance in determining the dose uniformity. Bulk densities of the product in the range of 0.01 to 0.75 gm/cc were prepared and its influence on absorbed dose was studied in a "6"0Co based food package irradiator. The results established that the bulk densities of the process loads would considerably change the absorbed doses and dose uniformity. The data would be useful to the facility operators to take adequate decision in dosimetry procedures. (author)
Density functional theory in surface science and heterogeneous catalysis
DEFF Research Database (Denmark)
Nørskov, Jens Kehlet; Scheffler, M.; Toulhoat, H.
Solid surfaces are used extensively as catalysts throughout the chemical industry, in the energy sector, and in environmental protection. Recently, density functional theory has started providing new insight into the atomic-scale mechanisms of heterogeneous catalysis, helping to interpret the large...
The effects of irradiance and exposure time on the surface roughness of bulk-fill composite resin restorative materials
Alkhudhairy, Fahad I.
Objectives: To evaluate the surface roughness of 4 different bulk-fill resin-based composites cured using different irradiance levels. Methods: This in vitro study was performed in February 2017 to August 2017 at the College of Dentistry, King Saud University. Twenty-four specimens were prepared from each of the bulk-fill materials [Tetric N-Ceram (TNC), SonicFill (SF), Smart Dentin Replacement (SDR), and Filtek Bulk-Fill (FB)] using a brass metal mold, resulting in a total of 96 specimens, cured using a Bluephase N light curing unit. Half of the total number of specimens (N=48) were cured using high-power irradiance (1200 mW/cm2) for 20 seconds, while the remaining half (N=48) were cured using low power irradiance (650 mW/cm2) for 40 seconds. After 24 hours, baseline surface roughness of each specimen was analyzed using a profilometer, then polished using Sof-lex abrasive disks, and the surface roughness of all groups was assessed. Results: Post-polished SonicFill cured at high irradiance had the highest mean surface roughness (0.23±0.03), whereas pre-polished Smart Dentin Replacement (0.11±0.01) and SonicFill (0.11±0.02) cured at low irradiance had the lowest mean surface roughness. Conclusion: High curing irradiance (1,200 mW/cm2) had no positive influence on the surface roughness of Filtek Bulk Fill and Tetric N-Ceram bulk-fill RBCs compared with lower curing irradiance (650 mW/cm2). However, the difference of curing irradiance significantly affected the surface roughness in SDR and sonic fill RBCs. PMID:29436570
Band selection and disentanglement using maximally localized Wannier functions: the cases of Co impurities in bulk copper and the Cu(111) surface
Energy Technology Data Exchange (ETDEWEB)
Korytar, Richard; Pruneda, Miguel; Ordejon, Pablo; Lorente, Nicolas [Centre d' Investigacio en Nanociencia i Nanotecnologia (CSIC-ICN), Campus de la UAB, E-08193 Bellaterra (Spain); Junquera, Javier, E-mail: firstname.lastname@example.com [Departamento de Ciencias de la Tierra y Fisica de la Materia Condensada, Universidad de Cantabria, E-39005 Santander (Spain)
We have adapted the maximally localized Wannier function approach of Souza et al (2002 Phys. Rev. B 65 035109) to the density functional theory based SIESTA code (Soler et al 2002 J. Phys.: Condens. Mater. 14 2745) and applied it to the study of Co substitutional impurities in bulk copper as well as to the Cu(111) surface. In the Co impurity case, we have reduced the problem to the Co d-electrons and the Cu sp-band, permitting us to obtain an Anderson-like Hamiltonian from well defined density functional parameters in a fully orthonormal basis set. In order to test the quality of the Wannier approach to surfaces, we have studied the electronic structure of the Cu(111) surface by again transforming the density functional problem into the Wannier representation. An excellent description of the Shockley surface state is attained, permitting us to be confident in the application of this method to future studies of magnetic adsorbates in the presence of an extended surface state.
First-principles study on the interaction of nitrogen atom with α–uranium: From surface adsorption to bulk diffusion
International Nuclear Information System (INIS)
Su, Qiulei; Deng, Huiqiu; Xiao, Shifang; Li, Xiaofan; Hu, Wangyu; Ao, Bingyun; Chen, Piheng
Experimental studies of nitriding on uranium surfaces show that the modified layers provide considerable protection against air corrosion. The bimodal distribution of nitrogen is affected by both its implantation and diffusion, and the diffusion of nitrogen during implantation is also governed by vacancy trapping. In the present paper, nitrogen adsorption, absorption, diffusion, and vacancy trapping on the surface of and in the bulk of α–uranium are studied with a first-principles density functional theory approach and the climbing image nudged elastic band method. The calculated results indicate that, regardless of the nitrogen coverage, a nitrogen atom prefers to reside at the hollow1 site and octahedral (Oct) site on and below the surface, respectively. The lowest energy barriers for on-surface and penetration diffusion occur at a coverage of 1/2 monolayer. A nitrogen atom prefers to occupy the Oct site in bulk α–uranium. High energy barriers are observed during the diffusion between neighboring Oct sites. A vacancy can capture its nearby interstitial nitrogen atom with a low energy barrier, providing a significant attractive nitrogen-vacancy interaction at the trapping center site. This study provides a reference for understanding the nitriding process on uranium surfaces
Surface tension and density of Si-Ge melts
Ricci, Enrica; Amore, Stefano; Giuranno, Donatella; Novakovic, Rada; Tuissi, Ausonio; Sobczak, Natalia; Nowak, Rafal; Korpala, Bartłomiej; Bruzda, Grzegorz
In this work, the surface tension and density of Si-Ge liquid alloys were determined by the pendant drop method. Over the range of measurements, both properties show a linear temperature dependence and a nonlinear concentration dependence. Indeed, the density decreases with increasing silicon content exhibiting positive deviation from ideality, while the surface tension increases and deviates negatively with respect to the ideal solution model. Taking into account the Si-Ge phase diagram, a simple lens type, the surface tension behavior of the Si-Ge liquid alloys was analyzed in the framework of the Quasi-Chemical Approximation for the Regular Solutions model. The new experimental results were compared with a few data available in the literature, obtained by the containerless method.
Molecular dynamics simulation of self-diffusion processes in titanium in bulk material, on grain junctions and on surface.
Sushko, Gennady B; Verkhovtsev, Alexey V; Yakubovich, Alexander V; Schramm, Stefan; Solov'yov, Andrey V
The process of self-diffusion of titanium atoms in a bulk material, on grain junctions and on surface is explored numerically in a broad temperature range by means of classical molecular dynamics simulation. The analysis is carried out for a nanoscale cylindrical sample consisting of three adjacent sectors and various junctions between nanocrystals. The calculated diffusion coefficient varies by several orders of magnitude for different regions of the sample. The calculated values of the bulk diffusion coefficient correspond reasonably well to the experimental data obtained for solid and molten states of titanium. Investigation of diffusion in the nanocrystalline titanium is of a significant importance because of its numerous technological applications. This paper aims to reduce the lack of data on diffusion in titanium and describe the processes occurring in bulk, at different interfaces and on surface of the crystalline titanium.
Effect of Cleaving Temperature on the Surface and Bulk Fermi Surface of Sr2RuO4 Investigated by High Resolution Angle-Resolved Photoemission
International Nuclear Information System (INIS)
Liu Shan-Yu; Zhang Wen-Tao; Weng Hong-Ming; Zhao Lin; Liu Hai-Yun; Jia Xiao-Wen; Liu Guo-Dong; Dong Xiao-Li; Zhang Jun; Dai Xi; Fang Zhong; Zhou Xing-Jiang; Mao Zhi-Qiang; Chen Chuang-Tian; Xu Zu-Yan
High resolution angle-resolved photoemission measurements are carried out to systematically investigate the effect of cleaving temperature on the electronic structures and Fermi surfaces of Sr 2 RuO 4 . Unlike previous reports, which found that a high cleaving temperature can suppress the surface Fermi surface, we find that the surface Fermi surface remains obvious and strong in Sr 2 RuO 4 cleaved at high temperature, even at room temperature. This indicates that cleaving temperature is not a key effective factor in suppressing surface bands. On the other hand, the bulk bands can be enhanced in an aged surface of Sr 2 RuO 4 that has been cleaved and held for a long time. We have also carried out laser ARPES measurements on Sr 2 RuO 4 by using a vacuum ultra-violet laser (photon energy at 6.994 eV) and found an obvious enhancement of bulk bands even for samples cleaved at low temperature. This information is important for realizing an effective approach to manipulating and detecting the surface and bulk electronic structure of Sr 2 RuO 4 . In particular, the enhancement of bulk sensitivity, along with the super-high instrumental resolution of VUV laser ARPES, will be advantageous in investigating fine electronic structure and superconducting properties of Sr 2 RuO 4 in the future. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Bulk and surface electron transport in topological insulator candidate YbB{sub 6-δ}
Energy Technology Data Exchange (ETDEWEB)
Glushkov, Vladimir V.; Demishev, Sergey V.; Sluchanko, Nikolay E. [Prokhorov General Physics Institute of RAS, Vavilov str. 38, 119991, Moscow (Russian Federation); Moscow Institute of Physics and Technology, Institutskii per. 9, 141700, Dolgoprudny, Moscow Region (Russian Federation); Bozhko, Alexey D.; Bogach, Alexey V.; Semeno, Alexey V.; Voronov, Valeriy V. [Prokhorov General Physics Institute of RAS, Vavilov str. 38, 119991, Moscow (Russian Federation); Dukhnenko, Anatoliy V.; Filipov, Volodimir B.; Shitsevalova, Natalya Yu. [Frantsevich Institute for Problems of Materials Science NAS, Krzhyzhanovsky str. 3, 03680, Kiev (Ukraine); Kondrin, Mikhail V. [Vereshchagin Institute of High Pressure Physics of RAS, 142190, Troitsk, Moscow (Russian Federation); Kuznetsov, Alexey V.; Sannikov, Ilia I. [National Research Nuclear University ' ' MEPhI' ' , Kashirskoe Shosse 31, 115409, Moscow (Russian Federation)
We report the study of transport and magnetic properties of the YbB{sub 6-δ}single crystals grown by inductive zone melting. A strong disparity in the low temperature resistivity, Seebeck and Hall coefficients is established for the samples with the different level of boron deficiency. The effective parameters of the charge transport in YbB{sub 6-δ} are shown to depend on the concentration of intrinsic defects, which is estimated to range from 0.09% to 0.6%. The pronounced variation of Hall mobility μ{sub H} found for bulk holes is induced by the decrease of transport relaxation time from τ ∼ 7.7 fs for YbB{sub 5.994} to τ ∼ 2.2 fs for YbB{sub 5.96}. An extra contribution to conductivity from electrons with μ{sub H}∼ -1000 cm{sup 2} V{sup -1} s{sup -1} and the very low concentration n /n{sub Yb}∼ 10{sup -6} discovered below 20 K for all the single crystals under investigation is suggested to arise from the surface electron states appeared in the inversion layer due to the band bending. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Bulk conductivity of soft surface layers : experimental measurement and electrokinetic implications
Yezek, L.P.
Conductivity measurements were carried out on a family of polyacrylamide-co-sodium acrylate gels cross-linked with N,N¿ -methylenebisacrylamide in a homemade electrokinetic cell. The conductivity data allowed the equilibrium Donnan potential difference between the bulk gel and the bulk electrolyte
Technical Note: Is bulk electron density assignment appropriate for MRI-only based treatment planning for lung cancer?
Prior, Phil; Chen, Xinfeng; Gore, Elizabeth; Johnstone, Candice; Li, X Allen
MRI-based treatment planning in radiation therapy (RT) is prohibitive, in part, due to the lack of electron density (ED) information within the image. The dosimetric differences between MRI- and CT-based planning for intensity modulated RT (IMRT) of lung cancer were investigated to assess the appropriateness of bulk ED assignment. Planning CTs acquired for six representative lung cancer patients were used to generate bulk ED IMRT plans. To avoid the effect of anatomic differences between CT and MRI, "simulated MRI-based plans" were generated by forcing the relative ED (rED) to water on CT-delineated structures using organ specific values from the ICRU Report 46 and using the mean rED value of the internal target volume (ITV) from the planning CT. The "simulated MRI-based plans" were generated using a research planning system (Monaco v5.09.07a, Elekta, AB) and employing Monte Carlo dose calculation. The following dose-volume-parameters (DVPs) were collected from both the "simulated MRI-based plans" and the original planning CT: D 95 , the dose delivered to 95% of the ITV & planning target volume (PTV), D 5 and V 5 , the volume of normal lung irradiated ≥5 Gy. The percent point difference and relative dose difference were used for comparison with the CT based plan for V 5 and D 95 respectively. A total of five plans per patient were generated; three with the ITV rED (rED ITV ) = 1.06, 1.0 and the mean value from the planning CT while the lung rED (rED lung ) was fixed at the ICRU value of 0.26 and two with rED lung = 0.1 and 0.5 while the rED ITV was fixed to the mean value from the planning CT. Noticeable differences in the ITV and PTV DVPs were observed. Variations of the normal lung V 5 can be as large as 9.6%. In some instances, varying the rED ITV between rED mean and 1.06 resulted in D 95 increases ranging from 3.9% to 6.3%. Bulk rED assignment on normal lung affected the DVPs of the ITV and PTV by 4.0-9.8% and 0.3-19.6% respectively. Dose volume histograms
In-situ determination of electronic surface and volume defect density of amorphous silicon (a-Si:H) and silicon alloys
International Nuclear Information System (INIS)
Siebke, F.
The density of localized gap states in the bulk and in the near-surface region of amorphous hydrogenated silicon (a-Si:H) was measured for non oxidized undoped, B-doped and P-doped samples as well as for films with low carbon (C) and germanium (Ge) content. Also the influence of light soaking on the bulk and surface density of states was investigated. The samples were prepared by rf glow discharge in an UHV-system at substrate temperatures between 100degC and 400degC and transferred to the analysis chamber by a vacuum lock. We combined the constant photocurrent method (CPM) and the total-yield photoelectron spectroscopy (TY) to obtain in-situ information about the defect densities. While the first method yields information about the density of states in the bulk, the other method obtains the density of occupied states in the near-surface region. The mean information depth of the TY-measurements is limited by the escape lenght of photoelectrons and can be estimated to 5 nm. In addition to the defect density the position of the Fermi energy was determined for the bulk by dark conductivity measurements and at the surface using a calibrated Kelvin probe. (orig.)
Determination of bulk and interface density of states in metal oxide semiconductor thin-film transistors by using capacitance-voltage characteristics
Wei, Xixiong; Deng, Wanling; Fang, Jielin; Ma, Xiaoyu; Huang, Junkai
A physical-based straightforward extraction technique for interface and bulk density of states in metal oxide semiconductor thin film transistors (TFTs) is proposed by using the capacitance-voltage (C-V) characteristics. The interface trap density distribution with energy has been extracted from the analysis of capacitance-voltage characteristics. Using the obtained interface state distribution, the bulk trap density has been determined. With this method, for the interface trap density, it is found that deep state density nearing the mid-gap is approximately constant and tail states density increases exponentially with energy; for the bulk trap density, it is a superposition of exponential deep states and exponential tail states. The validity of the extraction is verified by comparisons with the measured current-voltage (I-V) characteristics and the simulation results by the technology computer-aided design (TCAD) model. This extraction method uses non-numerical iteration which is simple, fast and accurate. Therefore, it is very useful for TFT device characterization.
The enhancement of critical current density on the bulk of BPSCCO-system superconductor with silver additions
International Nuclear Information System (INIS)
Engkir Sukirman; Wisnu Ari Adi; Puji Sulisworo dan W Prasuad
The influence of silver additions on the critical current density (Jc) of BPSCCO-bulk superconductor was investigated, with the aim of getting an increase of its Jc and trying to find out a correlation of Jc and structures of BPSCCO-silver composites. The BPSCCO-system superconductors with nominal composition Bi 1.84 Pb 0.34 Sr 2.00 Ca 2.03 Cu 3.06 O x (2223-phase) were synthesized by using solid state reaction method. The silver added was in the powder-AgO form varied from 0 to 30 wt % AgO. The critical current density, crystal structure, and micro-structure of BPSCCO-silver composites were characterized by means of four-point probe, x-ray diffractometer, and scanning electron microscope that is equipped with a link system energy dispersive spectrometer. It was found that silver additions to BPSCCO cause a reasonable improvement in Jc from 120 to 215 A/cm 2 , and a slight increase in Tc from 92 to 108 K, and lattice parameters of the 2223-phase from a 3.811(3) to 3.820(2) A, and from c = 37.08(3) to 37.15(2) A, with the optimum value occurs at 20 wt % AgO. The AgO powders added to the BPSCCO specimens were converted to Ag 2 O and metallic Ag during the annealing process at 827degC for 96 h in air. The addition of AgO to BPSCCO system does not necessarily lead to decomposition of the 2223-phase. The AgO reacts with and suppresses the 2201-phase. (author)
Interaction of hydrogen and oxygen with bulk defects and surfaces of metals
International Nuclear Information System (INIS)
Besenbacher, F.
The thesis deals with the interaction of hydrogen with defects in metals and the interaction of hydrogen and oxygen with metal surfaces studied by ion-beam techniques and scanning tunneling microscopy (STM), respectively. The first part of the thesis discusses the interaction of hydrogen with simple defects in transition metals. The trap-binding enthalpies and the lattice location of hydrogen trapped to vacancies have been determined, and an extremely simple and versatile picture of the hydrogen-metal interaction has evolved, in which the trap strength is mainly determined by the local electron density. Any dilution of the lattice will lead to a trap, vacancies and voids being the strongest trap. It is found that hydrogen trapped to vacancies in fcc metals is quantum-mechanically delocalized, and the excitation energies for the hydrogen in the vacancy potential are a few MeV only. The interaction of hydrogen with metal surfaces is studied by the transmission channeling (TC) technique. It is found that hydrogen chemisorbs in the highest-coordinated sites on the surfaces, and that there is a direct relationship between the hydrogen-metal bond length and the coordination number for the hydrogen. In the final part of the thesis the dynamics of the chemisorption process for oxygen and hydrogen on metal surfaces is studied by STM, a fascinating and powerful technique for exploring the atomic-scale realm of surfaces. It is found that there is a strong coupling between the chemisorption process and the distortion of the metal surface. The adsorbates induce a surface reconstruction, i.e. metal-metal bond breaks and metal-adsorbate bounds form. Whereas hydrogen interacts weakly with the metals and induces reconstructions where only nnn metals bonds are broken, oxygen interacts strongly with the metal, and the driving force for the O-induced reconstructions appears to be the formation of low-coordinated metal-O rows, formed by breaking of nn metal bonds. Finally it is shown
Effects of rational surface density on resistive g turbulence
International Nuclear Information System (INIS)
Beklemishev, A.D.; Sugama, H.; Horton, W.
The Beklemishev-Horton theory states that the anomalous transport coefficient is proportional to the density of rational surfaces provided that the interaction between the modes localized around different rational surfaces is weak compared with modes of the same helicity. The authors examine the effects of the density of states ρ using resistive g turbulence in 2D (single-helicity) and 3D (multi-helicity) simulations. They find that the modes with different helicities do not equipartition the available energy, but rather the coalescence or inverse cascade effect is strong so that a few low order mode rational surfaces receive most of the energy. The quasilinear flattening at the surfaces is a strong effect and they use bifurcation theory to derive that the effective diffusivity increases as χ eff = χ 0 ρ/(1 - Cρ) where C is a constant determined by interaction integrals. For a sufficiently high density of states Cρ ≤ 1, the higher order nonlinear interaction must be taken into account
Surface determinants of low density lipoprotein uptake by endothelial cells
International Nuclear Information System (INIS)
Goeroeg, P.; Pearson, J.D.
The surface sialic acid content of aortic endothelial cells in vitro was substantially lower in sparse cultures than at confluence. Binding of LDL to endothelial cells did not change at different culture densities and was unaffected by brief pretreatment with neuraminidase to partially remove surface sialic acid residues. In contrast, internalisation of LDL declined by a factor of 3 between low density cell cultures and confluent monolayers; neuraminidase pretreatment increased LDL uptake and the effect was most marked (>10-fold) at confluence. Pretreatment with cationised ferritin, which removed most of the surface sialic acid residues as well as glycosaminoglycans, increased LDL internalisation by up to 20-fold, again with most effect on confluent monolayers. Thus LDL uptake is inversely correlated with sialic acid content. We conclude that changes in the surface density of sialic acid (and possibly other charged) residues significantly modulate endothelial LDL uptake, and suggest that focal increases in LDL accumulation during atherogenesis may be related to alterations in endothelial endocytic properties at sites of increased cell turnover or damage. (author)
Modulation of electromagnetic local density of states by coupling of surface phonon-polariton
Li, Yao; Zhang, Chao-Jie; Wang, Tong-Biao; Liu, Jiang-Tao; Yu, Tian-Bao; Liao, Qing-Hua; Liu, Nian-Hua
We studied the electromagnetic local density of state (EM-LDOS) near the surface of a one-dimensional multilayer structure (1DMS) alternately stacked by SiC and Si. EM-LDOS of a semi-infinite bulk appears two intrinsic peaks due to the resonance of surface phonon-polariton (SPhP) in SiC. In contrast with that of SiC bulk, SPhP can exist at the interface of SiC and Si for the 1DMS. The SPhPs from different interfaces can couple together, which can lead to a significant modulation of EM-LDOS. When the component widths of 1DMS are large, the spectrum of EM-LDOS exhibits oscillation behavior in the frequency regime larger than the resonance frequency of SPhP. While the component widths are small, due to the strong coupling of SPhPs, another peak appears in the EM-LDOS spectrum besides the two intrinsic ones. And the position of the new peak move toward high frequency when the width ratio of SiC and Si increases. The influences of distance from the surfaces and period of 1DMS on EM-LDOS have also been studied in detail. The results are helpful in studying the near-field radiative heat transfer and spontaneous emission.
Ultralow energy ion beam surface modification of low density polyethylene.
Shenton, Martyn J; Bradley, James W; van den Berg, Jaap A; Armour, David G; Stevens, Gary C
Ultralow energy Ar+ and O+ ion beam irradiation of low density polyethylene has been carried out under controlled dose and monoenergetic conditions. XPS of Ar+-treated surfaces exposed to ambient atmosphere show that the bombardment of 50 eV Ar+ ions at a total dose of 10(16) cm(-2) gives rise to very reactive surfaces with oxygen incorporation at about 50% of the species present in the upper surface layer. Using pure O+ beam irradiation, comparatively low O incorporation is achieved without exposure to atmosphere (approximately 13% O in the upper surface). However, if the surface is activated by Ar+ pretreatment, then large oxygen contents can be achieved under subsequent O+ irradiation (up to 48% O). The results show that for very low energy (20 eV) oxygen ions there is a dose threshold of about 5 x 10(15) cm(-2) before surface oxygen incorporation is observed. It appears that, for both Ar+ and O+ ions in this regime, the degree of surface modification is only very weakly dependent on the ion energy. The results suggest that in the nonequilibrium plasma treatment of polymers, where the ion flux is typically 10(18) m(-2) s(-1), low energy ions (<50 eV) may be responsible for surface chemical modification.
Surface and bulk 4f-photoemission spectra of CeIn3 and CeSn3
International Nuclear Information System (INIS)
Kim, H.; Tjernberg, O.; Chiaia, G.; Kumigashira, H.; Takahashi, T.; Duo, L.; Sakai, O.; Kasaya, M.; Lindau, I.
Resonant photoemission spectroscopy was performed on CeIn 3 and CeSn 3 at the 4d-4f and 3d-4f core thresholds. Using the different surface sensitivity between the two photon energies, surface and bulk 4f-photoemission spectra were derived for both compounds. With the noncrossing approximation of the Anderson impurity model, the 4d-4f resonant spectra together with the surface and bulk spectra were self-consistently analyzed to obtain the microscopic parameters such as the 4f-electron energy and the hybridization strength with conduction electrons. The result shows a substantial difference in these parameters between the surface and the bulk, indicating that it is important to take into account the surface effect in analyzing photoemission spectra of Ce compounds. It is also found that the 4f surface core-level shift is different between CeIn 3 and CeSn 3 . copyright 1997 The American Physical Society
Low density lipoprotein sensor based on surface plasmon resonance
International Nuclear Information System (INIS)
Matharu, Zimple; Sumana, G.; Pandey, M.K.; Gupta, Vinay; Malhotra, B.D.
Biotinylated heparin has been immobilized onto self-assembled monolayer of 4-aminothiophenol using avidin-biotin specific binding. The modified electrodes have been characterized using surface plasmon resonance technique (SPR), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), atomic force microscopy (AFM) and contact angle (CA) measurements. The interaction of immobilized biotinylated heparin with low density lipoprotein (LDL) has been studied using surface plasmon resonance technique. The biotinylated heparin modified electrode can be used to detect LDL in the range of 20 to 100 mg/dl with the sensitivity of 513.3 m o /μM.
Low density lipoprotein sensor based on surface plasmon resonance
Energy Technology Data Exchange (ETDEWEB)
Matharu, Zimple [Department of Science and Technology Centre on Biomolecular Electronics, National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi-110012 (India); Department of Physics and Astrophysics, University of Delhi, New Delhi-110007 (India); Sumana, G.; Pandey, M.K. [Department of Science and Technology Centre on Biomolecular Electronics, National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi-110012 (India); Gupta, Vinay [Department of Physics and Astrophysics, University of Delhi, New Delhi-110007 (India); Malhotra, B.D., E-mail: email@example.com [Department of Science and Technology Centre on Biomolecular Electronics, National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi-110012 (India)
Biotinylated heparin has been immobilized onto self-assembled monolayer of 4-aminothiophenol using avidin-biotin specific binding. The modified electrodes have been characterized using surface plasmon resonance technique (SPR), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), atomic force microscopy (AFM) and contact angle (CA) measurements. The interaction of immobilized biotinylated heparin with low density lipoprotein (LDL) has been studied using surface plasmon resonance technique. The biotinylated heparin modified electrode can be used to detect LDL in the range of 20 to 100 mg/dl with the sensitivity of 513.3 m{sup o}/{mu}M.
Effect of sample moisture and bulk density on performance of the 241Am-Be source based prompt gamma rays neutron activation analysis setup. A Monte Carlo study
International Nuclear Information System (INIS)
Almisned, Ghada
Monte Carlo simulations were carried out using the dependence of gamma ray yield on the bulk density and moisture content for five different lengths of Portland cement samples in a thermal neutron capture based Prompt Gamma ray Neutron Activation Analysis (PGNAA) setup for source inside moderator geometry using an 241 Am-Be neutron source. In this study, yields of 1.94 and 6.42 MeV prompt gamma rays from calcium in the five Portland cement samples were calculated as a function of sample bulk density and moisture content. The study showed a strong dependence of the 1.94 and 6.42 MeV gamma ray yield upon the sample bulk density but a weaker dependence upon sample moisture content. For an order of magnitude increase in the sample bulk density, an order of magnitude increase in the gamma rays yield was observed, i.e., a one-to-one correspondence. In case of gamma ray yield dependence upon sample moisture content, an order of magnitude increase in the moisture content of the sample resulted in about 16-17% increase in the yield of 1.94 and 6.42 MeV gamma rays from calcium. (author)
Effect of tooth brushing on gloss retention and surface roughness of five bulk-fill resin composites.
O'Neill, Catherine; Kreplak, Laurent; Rueggeberg, Frederick A; Labrie, Daniel; Shimokawa, Carlos Alberto Kenji; Price, Richard Bengt
To determine the effects of tooth brushing on five bulk-fill resin based composites (RBCs). Ten samples of Filtek Supreme Enamel (control), Filtek One Bulk Fill, Tetric EvoCeram Bulk Fill, SonicFill 2, SDR flow+, and Admira Fusion X-tra were light cured for 20 seconds using the Valo Grand curing light. After 24 hours storage in air at 37°C, specimens were brushed in a random order using Colgate OpticWhite dentifrice and a soft toothbrush. Surface gloss was measured prior to brushing, after 5,000, 10,000 and 15,000 back and forth brushing cycles. Surface roughness was measured after 15,000 brushing cycles using atomic force microscopy (AFM) and selected scanning electron microscope (SEM) images were taken. The data was examined using ANOVA and pair-wise comparisons using Scheffe's post-hoc multiple comparison tests (α = 0.05). Surface gloss decreased and the surface roughness increased after brushing. Two-way ANOVA showed that both the RBC and the number of brushing cycles had a significant negative effect on the gloss. One-way ANOVA showed that the RBC had a significant effect on the roughness after 15,000 brushing cycles. For both gloss and roughness, brushing had the least effect on the nano-filled control and nano-filled bulk-fill RBC, and the greatest negative effect on Admira Fusion X-tra. The SEM images provided visual agreement. There was an excellent linear correlation (R 2 = 0.98) between the logarithm of the gloss and roughness. After brushing, the bulk-fill RBCs were all rougher than the control nano-filled RBC. The nano-filled bulk-fill RBC was the least affected by brushing. Bulk-fill RBCs lose their gloss faster and become rougher than the nanofilled conventional RBC, Filtek Supreme Ultra. The nanofilled bulk-fill RBC was the least affected by tooth brushing. © 2017 Wiley Periodicals, Inc.
Surface interactions involved in flashover with high density electronegative gases.
Energy Technology Data Exchange (ETDEWEB)
Hodge, Keith Conquest; Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Wallace, Zachariah Red; Lehr, Jane Marie
This report examines the interactions involved with flashover along a surface in high density electronegative gases. The focus is on fast ionization processes rather than the later time ionic drift or thermalization of the discharge. A kinetic simulation of the gas and surface is used to examine electron multiplication and includes gas collision, excitation and ionization, and attachment processes, gas photoionization and surface photoemission processes, as well as surface attachment. These rates are then used in a 1.5D fluid ionization wave (streamer) model to study streamer propagation with and without the surface in air and in SF6. The 1.5D model therefore includes rates for all these processes. To get a better estimate for the behavior of the radius we have studied radial expansion of the streamer in air and in SF6. The focus of the modeling is on voltage and field level changes (with and without a surface) rather than secondary effects, such as, velocities or changes in discharge path. An experiment has been set up to carry out measurements of threshold voltages, streamer velocities, and other discharge characteristics. This setup includes both electrical and photographic diagnostics (streak and framing cameras). We have observed little change in critical field levels (where avalanche multiplication sets in) in the gas alone versus with the surface. Comparisons between model calculations and experimental measurements are in agreement with this. We have examined streamer sustaining fields (field which maintains ionization wave propagation) in the gas and on the surface. Agreement of the gas levels with available literature is good and agreement between experiment and calculation is good also. Model calculations do not indicate much difference between the gas alone versus the surface levels. Experiments have identified differences in velocity between streamers on the surface and in the gas alone (the surface values being larger).
Metals in bulk deposition and surface waters at two upland locations in northern England
Energy Technology Data Exchange (ETDEWEB)
Lawlor, A.J.; Tipping, E
Surface water concentrations of potentially-toxic metals depend upon atmospheric deposition and catchment biogeochemical processes. - Concentrations of aluminium and minor metals (Mn, Ni, Cu, Zn, Sr, Cd, Ba, Pb) were measured in precipitation and surface water at two upland locations (Upper Duddon Valley, UDV; Great Dun Fell, GDF) in northern England for 1 year commencing April 1998. At both locations, the loads in bulk precipitation were at the lower ends of ranges reported for other rural and remote sites, for the period 1985-1995. The deposited metals were mostly in the dissolved form, and their concentrations tended to be greatest when rainfall volumes were low. The concentrations of Cu, Zn and Pb in deposition were correlated (r{sup 2}{>=}0.40) with concentrations of non-marine sulphate. Three streams, ranging in mean pH from 5.07 to 7.07, and with mean concentrations of dissolved organic carbon (DOC) <1 mg l{sup -1}, were monitored at UDV, and two pools (mean pH 4.89 and 6.83, mean DOC 22 and 15 mg l{sup -1}) at GDF. Aluminium and the minor metals were mainly in the dissolved form, and in the following ranges (means of 49-51 samples, {mu}g l{sup -1}): Al 36-530, Mn 4.4-36, Ni 0.26-2.8, Cu 0.25-1.7, Zn 2.1-30, Cd 0.03-0.16, Ba 1.9-140, Pb 0.10-4.5. Concentrations were generally higher at GDF. Differences in metal concentrations between the two locations and between waters at each location, and temporal variations in individual waters, can be explained qualitatively in terms of sorption to solid-phase soil organic matter and mineral surfaces, complexation and transport by DOC, and chemical weathering. The UDV catchments are sinks for Pb and sources of Al, Mn, Sr, Cd and Ba. The GDF catchments are sources of Al, Mn, Ni, Zn, Sr, Cd and Ba. Other metals measured at the two locations are approximately in balance. Comparison of metal:silicon ratios in the surface waters with values for silicate rocks indicates enrichment of Ni and Cu, and substantial enrichment of
Effects of sterilization treatments on bulk and surface properties of nanocomposite biomaterials.
Ahmed, Maqsood; Punshon, Geoffrey; Darbyshire, Arnold; Seifalian, Alexander M
With the continuous and expanding use of implantable biomaterials in a clinical setting, this study aims to elucidate the influence of sterilization techniques on the material surface and bulk properties of two polyurethane nanocomposite biomaterials. Both solid samples and porous membranes of nondegradable polyhedral oligomeric silsesquioxane poly(carbonate-urea) urethane (POSS-PCU) and a biodegradable poly(caprolactone-urea) urethane (POSS-PCL) were examined. Sterilization techniques included conventional steam sterilization (autoclaving), gamma irradiation, and disinfection via incubating with ethanol (EtOH) for 10 min or 24 h. After treatment, the samples were examined using gel permeation chromatography (GPC), attenuated total reflectance Fourier transform infrared spectroscopy, and tensiometry. Cytotoxicity was evaluated through the culture of endothelial progenitor cells and the efficacy of sterilization method was determined by incubating each sample in tryptone soya broth and fluid thioglycollate medium for cultivation of microorganisms. Although EtOH did not affect the material properties in any form, the samples were found to be nonsterile with microbial growth detected on each of the samples. Gamma irradiation was not only effective in sterilizing both POSS-PCU and POSS-PCL but also led to minor material degradation and displayed a cytotoxic effect on the cultured cells. Autoclaving was found to be the optimal sterilization technique for both solid and porous membranes of the nondegradable POSS-PCU samples as it was successful in sterilizing the samples, displayed no cytotoxic side effects and did not degrade the material. However, the biodegradable POSS-PCL was not able to withstand the harsh environment during autoclaving, resulting in it losing all structural integrity. Copyright © 2013 Wiley Periodicals, Inc., a Wiley Company.
Near Surface Stoichiometry in UO2: A Density Functional Theory Study
Directory of Open Access Journals (Sweden)
Jianguo Yu
Full Text Available The mechanisms of oxygen stoichiometry variation in UO2 at different temperature and oxygen partial pressure are important for understanding the dynamics of microstructure in these crystals. However, very limited experimental studies have been performed to understand the atomic structure of UO2 near surface and defect effects of near surface on stoichiometry in which the system can exchange atoms with the external reservoir. In this study, the near (110 surface relaxation and stoichiometry in UO2 have been studied with density functional theory (DFT calculations. On the basis of the point-defect model (PDM, a general expression for the near surface stoichiometric variation is derived by using DFT total-energy calculations and atomistic thermodynamics, in an attempt to pin down the mechanisms of oxygen exchange between the gas environment and defected UO2. By using the derived expression, it is observed that, under poor oxygen conditions, the stoichiometry of near surface is switched from hyperstoichiometric at 300 K with a depth around 3 nm to near-stoichiometric at 1000 K and hypostoichiometric at 2000 K. Furthermore, at very poor oxygen concentrations and high temperatures, our results also suggest that the bulk of the UO2 prefers to be hypostoichiometric, although the surface is near-stoichiometric.
High-Density Infrared Surface Treatments of Refractories
Energy Technology Data Exchange (ETDEWEB)
Tiegs, T.N.
Refractory materials play a crucial role in all energy-intensive industries and are truly a crosscutting technology for the Industries of the Future (IOF). One of the major mechanisms for the degradation of refractories and a general decrease in their performance has been the penetration and corrosion by molten metals or glass. Methods and materials that would reduce the penetration, wetting, and corrosive chemistry would significantly improve refractory performance and also maintain the quality of the processed liquid, be it metal or glass. This report presents the results of an R&D project aimed at investigating the use of high-density infrared (HDI) heating to surface treat refractories to improve their performance. The project was a joint effort between Oak Ridge National Laboratory (ORNL) and the University of Missouri-Rolla (UMR). HDI is capable of heating the near-surface region of materials to very high temperatures where sintering, diffusion, and melting can occur. The intended benefits of HDI processing of refractories were to (1) reduce surface porosity (by essentially sealing the surface to prevent liquid penetration), (2) allow surface chemistry changes to be performed by bonding an adherent coating onto the underlying refractory (in order to inhibit wetting and/or improve corrosion resistance), and (3) produce noncontact refractories with high-emissivity surface coatings.
Power Spectral Density Specification and Analysis of Large Optical Surfaces
Sidick, Erkin
The 2-dimensional Power Spectral Density (PSD) can be used to characterize the mid- and the high-spatial frequency components of the surface height errors of an optical surface. We found it necessary to have a complete, easy-to-use approach for specifying and evaluating the PSD characteristics of large optical surfaces, an approach that allows one to specify the surface quality of a large optical surface based on simulated results using a PSD function and to evaluate the measured surface profile data of the same optic in comparison with those predicted by the simulations during the specification-derivation process. This paper provides a complete mathematical description of PSD error, and proposes a new approach in which a 2-dimentional (2D) PSD is converted into a 1-dimentional (1D) one by azimuthally averaging the 2D-PSD. The 1D-PSD calculated this way has the same unit and the same profile as the original PSD function, thus allows one to compare the two with each other directly.
Granularity effect on microwave surface resistance in high-Tc YBa2Cu3O7-x bulk and thin film superconductor
International Nuclear Information System (INIS)
Swarup, Ram; Gupta, A.K.
We report the effect of variation of Josephson coupling strength in YBa 2 Cu 3 O 7-x (YBCO) superconductor due to grain enlargement, grain orientation and magnetic field on microwave surface resistance (R s ). The coupling strength in the bulk samples has been increased by increasing the sample density from 4.4 to 5.3 g/cm 3 , whereas in thin films, the same could be increased by increasing the c-axis orientation of the grains. The value of R s (10 GHz, 65 K) in bulk samples has been found to decrease from 52 to 4 mΩ with the increase of the coupling strength from 0.06 to 0.43 and in thin films from 930 to 600 μΩ with increase of the coupling strength from 0.92 to 2.43. The effect of grain decoupling on microwave surface resistance was studied under dc and microwave magnetic fields. The surface resistance increases gradually with the application of dc and microwave magnetic fields due to grain decoupling and finally gets saturated beyond a certain critical field. (author)
Surface Casimir densities and induced cosmological constant in higher dimensional braneworlds
International Nuclear Information System (INIS)
Saharian, Aram A.
We investigate the vacuum expectation value of the surface energy-momentum tensor for a massive scalar field with general curvature coupling parameter obeying the Robin boundary conditions on two codimension one parallel branes in a (D+1)-dimensional background spacetime AdS D 1 +1 xΣ with a warped internal space Σ. These vacuum densities correspond to a gravitational source of the cosmological constant type for both subspaces of the branes. Using the generalized zeta function technique in combination with contour integral representations, the surface energies on the branes are presented in the form of the sum of single-brane and second-brane-induced parts. For the geometry of a single brane both regions, on the left and on the right of the brane, are considered. At the physical point the corresponding zeta functions contain pole and finite contributions. For an infinitely thin brane taking these regions together, in odd spatial dimensions the pole parts cancel and the total zeta function is finite. The renormalization procedure for the surface energies and the structure of the corresponding counterterms are discussed. The parts in the surface densities generated by the presence of the second brane are finite for all nonzero values of the interbrane separation and are investigated in various asymptotic regions of the parameters. In particular, it is shown that for large distances between the branes the induced surface densities give rise to an exponentially suppressed cosmological constant on the brane. The total energy of the vacuum including the bulk and boundary contributions is evaluated by the zeta function technique and the energy balance between separate parts is discussed
Simultaneous solution of the geoid and the surface density anomalies
Ardalan, A. A.; Safari, A.; Karimi, R.; AllahTavakoli, Y.
The main application of the land gravity data in geodesy is "local geoid" or "local gravity field" modeling, whereas the same data could play a vital role for the anomalous mass-density modeling in geophysical explorations. In the realm of local geoid computations based on Geodetic Boundary Value Problems (GBVP), it is needed that the effect of the topographic (or residual terrain) masses be removed via application of the Newton integral in order to perform the downward continuation in a harmonic space. However, harmonization of the downward continuation domain may not be perfectly possible unless accurate information about the mass-density of the topographic masses be available. On the other hand, from the exploration point of view the unwanted topographical masses within the aforementioned procedure could be regarded as the signal. In order to overcome the effect of the remaining masses within the remove step of the GBVP, which cause uncertainties in mathematical modeling of the problem, here we are proposing a methodology for simultaneous solution of the geoid and residual surface density modeling In other words, a new mathematical model will be offered which both provides the needed harmonic space for downward continuation and at the same time accounts for the non-harmonic terms of gravitational field and makes use of it for residual mass density modeling within the topographic region. The presented new model enjoys from uniqueness of the solution, opposite to the inverse application of the Newton integral for mass density modeling which is non-unique, and only needs regularization to remove its instability problem. In this way, the solution of the model provides both the incremental harmonic gravitational potential on surface of the reference ellipsoid as the gravity field model and the lateral surface mass-density variations via the second derivatives of the non harmonic terms of gravitational field. As the case study and accuracy verification, the proposed
Effect of the Ultrasonic Nanocrystalline Surface Modification (UNSM on Bulk and 3D-Printed AISI H13 Tool Steels
Directory of Open Access Journals (Sweden)
In-Sik Cho
Full Text Available A comparative study of the microstructure, hardness, and tribological properties of two different AISI H13 tool steels—classified as the bulk with no heat treatment steel or the 3D-printed steel—was undertaken. Both samples were subjected to ultrasonic nanocrystalline surface modification (UNSM to further enhance their mechanical properties and improve their tribological behavior. The objective of this study was to compare the mechanical properties and tribological behavior of these tool steels since steel can exhibit a wide variety of mechanical properties depending on different manufacturing processes. The surface hardness of the samples was measured using a micro-Vickers hardness tester. The hardness of the 3D-printed AISI H13 tool steel was found to be much higher than that of the bulk one. The surface morphology of the samples was characterized by electron backscattered diffraction (EBSD in order to analyze the grain size and number of fractions with respect to the misorientation angle. The results revealed that the grain size of the 3D-printed AISI H13 tool steel was less than 0.5 μm, whereas that of the bulk tool steel was greater than 4 μm. The number of fractions of the bulk tool steel was about 0.5 μm at a low misorientation angle, and it decreased gradually with increasing misorientation angle. The low-angle grain boundary (LAGB and high-angle grain boundary (HAGB of the bulk sample were about 21% and 79%, respectively, and those of the 3D-printed sample were about 8% and 92%, respectively. Moreover, the friction and wear behavior of the UNSM-treated AISI H13 tool steel specimen was better than those of the untreated one. This study demonstrated the capability of 3D-printed AISI H13 tool steel to exhibit excellent mechanical and tribological properties for industrial applications.
Real time monitoring of powder blend bulk density for coupled feed-forward/feed-back control of a continuous direct compaction tablet manufacturing process.
Singh, Ravendra; Román-Ospino, Andrés D; Romañach, Rodolfo J; Ierapetritou, Marianthi; Ramachandran, Rohit
The pharmaceutical industry is strictly regulated, where precise and accurate control of the end product quality is necessary to ensure the effectiveness of the drug products. For such control, the process and raw materials variability ideally need to be fed-forward in real time into an automatic control system so that a proactive action can be taken before it can affect the end product quality. Variations in raw material properties (e.g., particle size), feeder hopper level, amount of lubrication, milling and blending action, applied shear in different processing stages can affect the blend density significantly and thereby tablet weight, hardness and dissolution. Therefore, real time monitoring of powder bulk density variability and its incorporation into the automatic control system so that its effect can be mitigated proactively and efficiently is highly desired. However, real time monitoring of powder bulk density is still a challenging task because of different level of complexities. In this work, powder bulk density which has a significant effect on the critical quality attributes (CQA's) has been monitored in real time in a pilot-plant facility, using a NIR sensor. The sensitivity of the powder bulk density on critical process parameters (CPP's) and CQA's has been analyzed and thereby feed-forward controller has been designed. The measured signal can be used for feed-forward control so that the corrective actions on the density variations can be taken before they can influence the product quality. The coupled feed-forward/feed-back control system demonstrates improved control performance and improvements in the final product quality in the presence of process and raw material variations. Copyright © 2015 Elsevier B.V. All rights reserved.
Development of a novel once-through flow visualization technique for kinetic study of bulk and surface scaling
Sanni, O.; Bukuaghangin, O.; Huggan, M.; Kapur, N.; Charpentier, T.; Neville, A.
There is a considerable interest to investigate surface crystallization in order to have a full mechanistic understanding of how layers of sparingly soluble salts (scale) build on component surfaces. Despite much recent attention, a suitable methodology to improve on the understanding of the precipitation/deposition systems to enable the construction of an accurate surface deposition kinetic model is still needed. In this work, an experimental flow rig and associated methodology to study mineral scale deposition is developed. The once-through flow rig allows us to follow mineral scale precipitation and surface deposition in situ and in real time. The rig enables us to assess the effects of various parameters such as brine chemistry and scaling indices, temperature, flow rates, and scale inhibitor concentrations on scaling kinetics. Calcium carbonate (CaCO3) scaling at different values of the saturation ratio (SR) is evaluated using image analysis procedures that enable the assessment of surface coverage, nucleation, and growth of the particles with time. The result for turbidity values measured in the flow cell is zero for all the SR considered. The residence time from the mixing point to the sample is shorter than the induction time for bulk precipitation; therefore, there are no crystals in the bulk solution as the flow passes through the sample. The study shows that surface scaling is not always a result of pre-precipitated crystals in the bulk solution. The technique enables both precipitation and surface deposition of scale to be decoupled and for the surface deposition process to be studied in real time and assessed under constant condition.
Major and trace elements in mouse bone measured by surface and bulk sensitive methods
International Nuclear Information System (INIS)
Benkoe, I.; Geresi, K.; Ungvari, E.; Szabo, B.; Paripas, B.
Complete text of publication follows. In the past years an increasing research interest turned to the accurate determination of the components of bone samples. These investigations focused on both the major and trace elements in the bone. Work in this field is strongly motivated because various major and trace element concentrations can be good indicators of several diseases. Number of studies also focused on the determination of the components both in the organic and inorganic parts of the bone separately, because they both have role during bone remodeling processes. Also important to note that bone can be one of the final destinations in the body where toxic elements are deposited. In this work we performed various surface and bulk sensitive analyses for the mouse bone samples to determine its major and trace element components. We have shown concentration profiles for various major and observable trace elements of the mouse bone. We found, in accordance with our expectation, that the mostly surface sensitive XPS technique is not suitable to determine the concentration of the trace elements in bone samples. It was also shown that XPS is a valuable tool not only in the determination of the chemical states of the major components of the bone powder but in the quantitative determination of their relative concentrations. Both the major and the trace elements of the bone samples are determined using PIXE and SNMS spectra. Although the information depths are very different for PIXE (a few tens of micrometer) and for XPS analysis (a few nanometers), our present PIXE result, using the bone sample in its original form for the concentration ratio between Ca and P is in excellent agreement with the XPS results using calcinated mouse bone powder. Discrepancy in Ca/Mg ratio (PIXE: 35.7 and XPS: 12.7) maybe due to many factors, which influence this ratio in bone samples. In the case of PIXE we studied native bones and determined composition of the compact bone at outside
Electron Density in Atmospheric Pressure Microwave Surface Wave Discharges
International Nuclear Information System (INIS)
Jasinski, M.; Zakrzewski, Z.; Mizeraczyk, J.
In this paper, we present results of the spectroscopic measurements of the electron density in a microwave surface wave sustained discharges in Ar and Ne at atmospheric pressure. The discharge in the form of a plasma column was generated inside a quartz tube cooled with a dielectric liquid. The microwave power delivered to the discharge via rectangular waveguide was applied in the range of 200-1500 W. In all investigations presented in this paper, the gas flow rate was relatively low (0.5 l/min), so the plasma column was generated in the form of a single filament, and the lengths of the upstream and downstream plasma columns were almost the same. The electron density in the plasma columns was determined using the method based on the Stark broadening of H β spectral line, including plasma region inside the waveguide which was not investigated earlier
Surface and bulk polaritons in a PML-type magnetoelectric multiferroic with canted spins: TE and TM polarization
Energy Technology Data Exchange (ETDEWEB)
Gunawan, V; Stamps, R L, E-mail: firstname.lastname@example.com [School of Physics M013, University of Western Australia, 35 Stirling Highway, Crawley, Western Australia 6009 (Australia)
We present a theory for surface polaritons on ferroelectric-antiferromagnetic materials with canted spin structure. A small uniform canted moment is allowed, resulting in a weak ferromagnetism directed in the plane parallel to the surface. Surface and bulk polariton modes for a semi-infinite film are calculated for the case of transverse electric (TE) and transverse magnetic (TM) polarization. Example results are presented using parameters appropriate for BaMnF{sub 4}. We find that the surface modes are non-reciprocal for the TE polarization due to the magnetoelectric interaction, and the non-reciprocity can be controlled by an applied electric field. Example results for attenuated total reflection (ATR) are calculated. The magnetoelectric interaction also gives rise to 'leaky' surface modes in the case of TM polarization. These are pseudo-surface waves that exist in the pass band, and dissipate energy into the bulk of the material. We show that these pseudo-surface mode frequencies and properties can be modified by temperature and the application of external electric or magnetic fields.
Improving the Accuracy of Satellite Sea Surface Temperature Measurements by Explicitly Accounting for the Bulk-Skin Temperature Difference
Castro, Sandra L.; Emery, William J.
The focus of this research was to determine whether the accuracy of satellite measurements of sea surface temperature (SST) could be improved by explicitly accounting for the complex temperature gradients at the surface of the ocean associated with the cool skin and diurnal warm layers. To achieve this goal, work centered on the development and deployment of low-cost infrared radiometers to enable the direct validation of satellite measurements of skin temperature. During this one year grant, design and construction of an improved infrared radiometer was completed and testing was initiated. In addition, development of an improved parametric model for the bulk-skin temperature difference was completed using data from the previous version of the radiometer. This model will comprise a key component of an improved procedure for estimating the bulk SST from satellites. The results comprised a significant portion of the Ph.D. thesis completed by one graduate student and they are currently being converted into a journal publication.
Combined Bulk and Surface Radiation Damage Effects at Very High Fluences in Silicon Detectors: Measurements and TCAD Simulations
Moscatelli, F; Morozzi, A; Mendicino, R; Dalla Betta, G F; Bilei, G M
In this work we propose a new combined TCAD radiation damage modelling scheme, featuring both bulk and surface radiation damage effects, for the analysis of silicon detectors aimed at the High Luminosity LHC. In particular, a surface damage model has been developed by introducing the relevant parameters (NOX, NIT) extracted from experimental measurements carried out on p-type substrate test structures after gamma irradiations at doses in the range 10-500 Mrad(Si). An extended bulk model, by considering impact ionization and deep-level cross-sections variation, was included as well. The model has been validated through the comparison of the simulation findings with experimental measurements carried out at very high fluences (2×1016 1 MeV equivalent n/cm2) thus fostering the application of this TCAD approach for the design and optimization of the new generation of silicon detectors to be used in future HEP experiments.
Improving Frozen Precipitation Density Estimation in Land Surface Modeling
Sparrow, K.; Fall, G. M.
The Office of Water Prediction (OWP) produces high-value water supply and flood risk planning information through the use of operational land surface modeling. Improvements in diagnosing frozen precipitation density will benefit the NWS's meteorological and hydrological services by refining estimates of a significant and vital input into land surface models. A current common practice for handling the density of snow accumulation in a land surface model is to use a standard 10:1 snow-to-liquid-equivalent ratio (SLR). Our research findings suggest the possibility of a more skillful approach for assessing the spatial variability of precipitation density. We developed a 30-year SLR climatology for the coterminous US from version 3.22 of the Daily Global Historical Climatology Network - Daily (GHCN-D) dataset. Our methods followed the approach described by Baxter (2005) to estimate mean climatological SLR values at GHCN-D sites in the US, Canada, and Mexico for the years 1986-2015. In addition to the Baxter criteria, the following refinements were made: tests were performed to eliminate SLR outliers and frequent reports of SLR = 10, a linear SLR vs. elevation trend was fitted to station SLR mean values to remove the elevation trend from the data, and detrended SLR residuals were interpolated using ordinary kriging with a spherical semivariogram model. The elevation values of each station were based on the GMTED 2010 digital elevation model and the elevation trend in the data was established via linear least squares approximation. The ordinary kriging procedure was used to interpolate the data into gridded climatological SLR estimates for each calendar month at a 0.125 degree resolution. To assess the skill of this climatology, we compared estimates from our SLR climatology with observations from the GHCN-D dataset to consider the potential use of this climatology as a first guess of frozen precipitation density in an operational land surface model. The difference in
K-correlation power spectral density and surface scatter model
Dittman, Michael G.
The K-Correlation or ABC model for surface power spectral density (PSD) and BRDF has been around for years. Eugene Church and John Stover, in particular, have published descriptions of its use in describing smooth surfaces. The model has, however, remained underused in the optical analysis community partially due to the lack of a clear summary tailored toward that application. This paper provides the K-Correlation PSD normalized to σ(λ) and BRDF normalized to TIS(σ,λ) in a format intended to be used by stray light analysts. It is hoped that this paper will promote use of the model by analysts and its incorporation as a standard tool into stray light modeling software.
3He impurity states on liquid 4He: From thin films to the bulk surface
International Nuclear Information System (INIS)
Pavloff, N.; Treiner, J.
The structure of the states accessible to 3 He impurities in films of liquid 4 He on Nuclepore is investigated using a density functional approach with a finite-range effective interaction. In thick films, one finds that the two lowest states are localized in the surface region. For thinner films, the variation with film thickness of the first three states results from a delicate balance between the attractive tail of the substrate potential and the quantum finite-size effect. The existence of states localized in the second layer of the films is discussed. The energy difference between the ground state and the first excited state agrees with the recent determination of Higley, Sprague, and Hallock from magnetization measurements. The effective mass of the ground state has a structure similar to that obtained by Krotscheck and coworkers and exhibits a maximum for a 4 He coverage of 0.15 angstrom -2 , in agreement with the data of Gasparini and coworkers. A similar behavior is predicted for the effective mass of the first, second, and third excited states. The structure of the energy spectrum may also explain former results on third-sound measurements in thin mixture films by Laheurte et al. and by Hallock
High-Resolution Faraday Rotation and Electron-Phonon Coupling in Surface States of the Bulk-Insulating Topological Insulator Cu_{0.02}Bi_{2}Se_{3}.
Wu, Liang; Tse, Wang-Kong; Brahlek, M; Morris, C M; Aguilar, R Valdés; Koirala, N; Oh, S; Armitage, N P
We have utilized time-domain magnetoterahertz spectroscopy to investigate the low-frequency optical response of the topological insulator Cu_{0.02}Bi_{2}Se_{3} and Bi_{2}Se_{3} films. With both field and frequency dependence, such experiments give sufficient information to measure the mobility and carrier density of multiple conduction channels simultaneously. We observe sharp cyclotron resonances (CRs) in both materials. The small amount of Cu incorporated into the Cu_{0.02}Bi_{2}Se_{3} induces a true bulk insulator with only a single type of conduction with a total sheet carrier density of ~4.9×10^{12}/cm^{2} and mobility as high as 4000 cm^{2}/V·s. This is consistent with conduction from two virtually identical topological surface states (TSSs) on the top and bottom of the film with a chemical potential ~145 meV above the Dirac point and in the bulk gap. The CR broadens at high fields, an effect that we attribute to an electron-phonon interaction. This assignment is supported by an extended Drude model analysis of the zero-field Drude conductance. In contrast, in normal Bi_{2}Se_{3} films, two conduction channels were observed, and we developed a self-consistent analysis method to distinguish the dominant TSSs and coexisting trivial bulk or two-dimensional electron gas states. Our high-resolution Faraday rotation spectroscopy on Cu_{0.02}Bi_{2}Se_{3} paves the way for the observation of quantized Faraday rotation under experimentally achievable conditions to push the chemical potential in the lowest Landau level.
Dissociation and diffusion of hydrogen on defect-free and vacancy defective Mg (0001) surfaces: A density functional theory study
Energy Technology Data Exchange (ETDEWEB)
Han, Zongying [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); Union Research Center of Fuel Cell, School of Chemical and Environmental Engineering, China University of Mining and Technology, Beijing 100083 (China); Chen, Haipeng [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); College of Mechanical and Electronic Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); Zhou, Shixue, E-mail: firstname.lastname@example.com [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); College of Mechanical and Electronic Engineering, Shandong University of Science and Technology, Qingdao 266590 (China)
Highlights: • Clarify the effect of vacancy defect on H{sub 2} dissociation on Mg (0001) surface. • Demonstrate the effects of vacancy defect on H atom diffusion. • Reveal the minimum energy diffusion path of H atom from magnesium surface into bulk. - Abstract: First-principles calculations with the density functional theory (DFT) have been carried out to study dissociation and diffusion of hydrogen on defect-free and vacancy defective Mg (0001) surfaces. Results show that energy barriers of 1.42 eV and 1.28 eV require to be overcome for H{sub 2} dissociation on defect-free and vacancy defective Mg (0001) surfaces respectively, indicating that reactivity of Mg (0001) surface is moderately increased due to vacancy defect. Besides, the existence of vacancy defect changes the preferential H atom diffusion entrance to the subsurface and reduces the diffusion energy barrier. An interesting remark is that the minimum energy diffusion path of H atom from magnesium surface into bulk is a spiral channel formed by staggered octahedral and tetrahedral interstitials. The diffusion barriers computed for H atom penetration from the surface into inner-layers are all less than 0.70 eV, which is much smaller than the activation energy for H{sub 2} dissociation on the Mg (0001) surface. This suggests that H{sub 2} dissociation is more likely than H diffusion to be rate-limiting step for magnesium hydrogenation.
Influence of the side chain and substrate on polythiophene thin film surface, bulk, and buried interfacial structures.
Xiao, Minyu; Jasensky, Joshua; Zhang, Xiaoxian; Li, Yaoxin; Pichan, Cayla; Lu, Xiaolin; Chen, Zhan
The molecular structures of organic semiconducting thin films mediate the performance of various devices composed of such materials. To fully understand how the structures of organic semiconductors alter on substrates due to different polymer side chains and different interfacial interactions, thin films of two kinds of polythiophene derivatives with different side-chains, poly(3-hexylthiophene) (P3HT) and poly(3-potassium-6-hexanoate thiophene) (P3KHT), were deposited and compared on various surfaces. A combination of analytical tools was applied in this research: contact angle goniometry and X-ray photoelectron spectroscopy (XPS) were used to characterize substrate dielectric surfaces with varied hydrophobicity for polymer film deposition; X-ray diffraction and UV-vis spectroscopy were used to examine the polythiophene film bulk structure; sum frequency generation (SFG) vibrational spectroscopy was utilized to probe the molecular structures of polymer film surfaces in air and buried solid/solid interfaces. Both side-chain hydrophobicity and substrate hydrophobicity were found to mediate the crystallinity of the polythiophene film, as well as the orientation of the thiophene ring within the polymer backbone at the buried polymer/substrate interface and the polymer thin film surface in air. For the same type of polythiophene film deposited on different substrates, a more hydrophobic substrate surface induced thiophene ring alignment with the surface normal at both the buried interface and on the surface in air. For different films (P3HT vs. P3KHT) deposited on the same dielectric substrate, a more hydrophobic polythiophene side chain caused the thiophene ring to align more towards the surface at the buried polymer/substrate interface and on the surface in air. We believe that the polythiophene surface, bulk, and buried interfacial molecular structures all influence the hole mobility within the polythiophene film. Successful characterization of an organic conducting
Interfacial Tension and Surface Pressure of High Density Lipoprotein, Low Density Lipoprotein, and Related Lipid Droplets
DEFF Research Database (Denmark)
Ollila, O. H. S.; Lamberg, A.; Lehtivaara, M.
) are essentially lipid droplets surrounded by specific proteins, their main function being to transport cholesterol. Interfacial tension and surface pressure of these particles are of great interest because they are related to the shape and the stability of the droplets and to protein adsorption at the interface....... Here we use coarse-grained molecular-dynamics simulations to consider a number of related issues by calculating the interfacial tension in protein-free lipid droplets, and in HDL and LDL particles mimicking physiological conditions. First, our results suggest that the curvature dependence......Lipid droplets play a central role in energy storage and metabolism on a cellular scale. Their core is comprised of hydrophobic lipids covered by a surface region consisting of amphiphilic lipids and proteins. For example, high and low density lipoproteins (HDL and LDL, respectively...
The Effect of Bulk Depth and Irradiation Time on the Surface Hardness and Degree of Cure of Bulk-Fill Composites
Directory of Open Access Journals (Sweden)
Farahat F
Full Text Available Statement of Problem: For many years, application of the composite restoration with a thickness less than 2 mm for achieving the minimum polymerization contraction and stress has been accepted as a principle. But through the recent development in dental material a group of resin based composites (RBCs called Bulk Fill is introduced whose producers claim the possibility of achieving a good restoration in bulks with depths of 4 or even 5 mm. Objectives: To evaluate the effect of irradiation times and bulk depths on the degree of cure (DC of a bulk fill composite and compare it with the universal type. Materials and Methods: This study was conducted on two groups of dental RBCs including Tetric N Ceram Bulk Fill and Tetric N Ceram Universal. The composite samples were prepared in Teflon moulds with a diameter of 5 mm and height of 2, 4 and 6 mm. Then, half of the samples in each depth were cured from the upper side of the mould for 20s by LED light curing unit. The irradiation time for other specimens was 40s. After 24 hours of storage in distilled water, the microhardness of the top and bottom of the samples was measured using a Future Tech (Japan- Model FM 700 Vickers hardness testing machine. Data were analyzed statistically using the one and multi way ANOVAand Tukey's test (p = 0.050. Results: The DC of Tetric N Ceram Bulk Fill in defined irradiation time and bulk depth was significantly more than the universal type (p < 0.001. Also, the DC of both composites studied was significantly (p < 0.001 reduced by increasing the bulk depths. Increasing the curing time from 20 to 40 seconds had a marginally significant effect (p ≤ 0.040 on the DC of both bulk fill and universal studied RBC samples. Conclusions: The DC of the investigated bulk fill composite was better than the universal type in all the irradiation times and bulk depths. The studied universal and bulk fill RBCs had an appropriate DC at the 2 and 4 mm bulk depths respectively and
Hofmeister Effect on PNIPAM in Bulk and at an Interface: Surface Partitioning of Weakly Hydrated Anions
DEFF Research Database (Denmark)
Moghaddam, Saeed Zajforoushan; Thormann, Esben
The effect of sodium fluoride, sodium trichloroacetate, and sodium thiocyanate on the stability and conformation of poly(N-isopropylacrylamide), in bulk solution and at the gold-aqueous interface, is investigated by differential scanning calorimetry, dynamic light scattering, quartz crystal...... for thiocyanate and trichloroacetate, a salting-out effect is found for sodium trichloroacetate. This apparent contradiction is explained by a combination of previously suggested mechanisms for the salting-out effect by weakly hydrated anions....
Role of the substrate reflectance and surface-bulk treatments in CsI quantum efficiency
Singh, B K; Nitti, M A; Valentini, A
We have experimentally investigated the following aspects related to the quantum efficiency of CsI photocathodes: the type of substrate, the film thickness and the effect of a 'bulk treatment' during the film growth. We discovered that, using a high reflectivity aluminium substrate, the photoemission of very thin CsI film is enhanced. Our study also revealed that photocathodes become less sensitive to moisture when a negative bias voltage is applied to the substrate during the film deposition process.
Effect of annealing ambience on the formation of surface/bulk oxygen vacancies in TiO2 for photocatalytic hydrogen evolution
Hou, Lili; Zhang, Min; Guan, Zhongjie; Li, Qiuye; Yang, Jianjun
The surface and bulk oxygen vacancy have a prominent effect on the photocatalytic performance of TiO2. In this study, TiO2 possessing different types and concentration of oxygen vacancies were prepared by annealing nanotube titanic acid (NTA) at various temperatures in air or vacuum atmosphere. TiO2 with the unitary bulk single-electron-trapped oxygen vacancies (SETOVs) formed when NTA were calcined in air. Whereas, TiO2 with both bulk and surface oxygen vacancies were obtained when NTA were annealed in vacuum. The series of TiO2 with different oxygen vacancies were systematically characterized by TEM, XRD, PL, XPS, ESR, and TGA. The PL and ESR analysis verified that surface oxygen vacancies and more bulk oxygen vacancies could form in vacuum atmosphere. Surface oxygen vacancies can trap electron and hinder the recombination of photo-generated charges, while bulk SETOVs act as the recombination center. The surface or bulk oxygen vacancies attributed different roles on the photo-absorbance and activity, leading that the sample of NTA-A400 displayed higher hydrogen evolution rate under UV light, whereas NTA-V400 displayed higher hydrogen evolution rate under visible light because bulk SETOVs can improve visible light absorption because sub-band formed by bulk SETOVs prompted the secondary transition of electron excited.
A comparison of UV surface brightness and HI surface densities for spiral galaxies
International Nuclear Information System (INIS)
Federman, S.R.; Strom, C.
Shaya and Federman (1987) suggested that the ambient ultraviolet flux at 1000 A permeating a spiral galaxy controls the neutral hydrogen (HI) surface density in the galaxy. They found that the atomic envelopes surrounding small molecular clouds, because of their great number, provide the major contribution to the HI surface density over the stellar disk. The increase in HI surface density with later Hubble types was ascribed to the stronger UV fields from more high-mass stars in later Hubble types. These hypotheses are based on the observations of nearby diffuse interstellar clouds, which show a sharp atomic-to-molecular transition (Savage et al. 1977), and on the theoretical framework introduced by Federman, Glassgold, and Kwan (1979). Atomic envelopes around interstellar clouds in the solar neighborhood arise when a steady state is reached between photodissociation of H2 and the formation of H2 on grains. The photodissociation process involves photons with wavelengths between 912 A and 1108 A. Shaya and Federman used H-alpha flux as an approximate measure for the far UV flux and made their comparisons based on averages over Hubble type. Here, researchers compare, on an individual basis, UV data obtained with space-borne and balloon-borne instruments for galaxies with measurements of HI surface density (Warmels 1988a, b). The comparisons substantiate the conclusion of Shaya and Federman that the far UV field controls the HI content of spiral galaxies
Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy
DEFF Research Database (Denmark)
Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong
Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far...
Stratified turbulent Bunsen flames : flame surface analysis and flame surface density modelling
Ramaekers, W.J.S.; Oijen, van J.A.; Goey, de L.P.H.
In this paper it is investigated whether the Flame Surface Density (FSD) model, developed for turbulent premixed combustion, is also applicable to stratified flames. Direct Numerical Simulations (DNS) of turbulent stratified Bunsen flames have been carried out, using the Flamelet Generated Manifold
Bulk and surface band structure of the new family of semiconductors BiTeX (X=I, Br, Cl)
International Nuclear Information System (INIS)
Moreschini, L.; Autès, G.; Crepaldi, A.; Moser, S.; Johannsen, J.C.; Kim, K.S.; Berger, H.; Bugnon, Ph.; Magrez, A.; Denlinger, J.; Rotenberg, E.; Bostwick, A.; Yazyev, O.V.
Highlights: • We provide an ARPES comparison between the three tellurohalides BiTeX (X = I, Br, Cl). • They present a similar band structure with namely spin-split bulk and surface states. • They offer, except for BiTeCl, the possibility of ambipolar conduction. • They can be easily doped. • From the data appeared so far, BiTeBr may be the most appealing for applications. - Abstract: We present an overview of the new family of semiconductors BiTeX (X = I, Br, Cl) from the perspective of angle resolved photoemission spectroscopy. The strong band bending occurring at the surface potentially endows them with a large flexibility, as they are capable of hosting both hole and electron conduction, and can be modified by inclusion or adsorption of foreign atoms. In addition, their trigonal crystal structure lacks a center of symmetry and allows for both bulk and surface spin-split bands at the Fermi level. We elucidate analogies and differences among the three materials, also in the light of recent theoretical and experimental work
Zinc surface complexes on birnessite: A density functional theory study
Energy Technology Data Exchange (ETDEWEB)
Kwon, Kideok D.; Refson, Keith; Sposito, Garrison
Biogeochemical cycling of zinc is strongly influenced by sorption on birnessite minerals (layer-type MnO2), which are found in diverse terrestrial and aquatic environments. Zinc has been observed to form both tetrahedral (Zn{sup IV}) and octahedral (Zn{sup VI}) triple-corner-sharing surface complexes (TCS) at Mn(IV) vacancy sites in hexagonal birnessite. The octahedral complex is expected to be similar to that of Zn in the Mn oxide mineral, chalcophanite (ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O), but the reason for the occurrence of the four-coordinate Zn surface species remains unclear. We address this issue computationally using spin-polarized Density Functional Theory (DFT) to examine the Zn{sub IV}-TCS and Zn{sup VI}-TCS species. Structural parameters obtained by DFT geometry optimization were in excellent agreement with available experimental data on Zn-birnessites. Total energy, magnetic moments, and electron-overlap populations obtained by DFT for isolated Zn{sup IV}-TCS revealed that this species is stable in birnessite without a need for Mn(III) substitution in the octahedral sheet and that it is more effective in reducing undersaturation of surface O at a Mn vacancy than is Zn{sub VI}-TCS. Comparison between geometry-optimized ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O (chalcophanite) and the hypothetical monohydrate mineral, ZnMn{sub 3}O{sub 7} {center_dot} H{sub 2}O, which contains only tetrahedral Zn, showed that the hydration state of Zn significantly affects birnessite structural stability. Finally, our study also revealed that, relative to their positions in an ideal vacancy-free MnO{sub 2}, Mn nearest to Zn in a TCS surface complex move toward the vacancy by 0.08-0.11 {angstrom}, while surface O bordering the vacancy move away from it by 0.16-0.21 {angstrom}, in agreement with recent X-ray absorption spectroscopic analyses.
A Snow Density Dataset for Improving Surface Boundary Conditions in Greenland Ice Sheet Firn Modeling
DEFF Research Database (Denmark)
S. Fausto, Robert; E. Box, Jason; Vandecrux, Baptiste Robert Marcel
The surface snow density of glaciers and ice sheets is of fundamental importance in converting volume to mass in both altimetry and surface mass balance studies, yet it is often poorly constrained. Site-specific surface snow densities are typically derived from empirical relations based...... on temperature and wind speed. These parameterizations commonly calculate the average density of the top meter of snow, thereby systematically overestimating snow density at the actual surface. Therefore, constraining surface snow density to the top 0.1 m can improve boundary conditions in high-resolution firn......-evolution modeling. We have compiled an extensive dataset of 200 point measurements of surface snow density from firn cores and snow pits on the Greenland ice sheet. We find that surface snow density within 0.1 m of the surface has an average value of 315 kg m−3 with a standard deviation of 44 kg m−3, and has...
Tailor-made surface plasmon polaritons above the bulk plasma frequency: a design strategy for indium tin oxide
International Nuclear Information System (INIS)
Brand, S; Abram, R A; Kaliteevski, M A
A simple phase-matching approach is employed as a design aid to engineer surface plasmon polariton states at the interface of an indium tin oxide layer on the top of a Bragg reflector. By altering the details of the reflector, and in particular the ordering of the layers and the thickness of the layer adjacent to the indium tin oxide, it is possible to readily adjust the energy of these states. Examples of structures engineered to give rise to distinctive features in the reflectivity spectra above the bulk screened plasma frequency for states of both possible polarizations are presented.
Coupling aerosol surface and bulk chemistry with a kinetic double layer model (K2-SUB: oxidation of oleic acid by ozone
Directory of Open Access Journals (Sweden)
C. Pfrang
Full Text Available We present a kinetic double layer model coupling aerosol surface and bulk chemistry (K2-SUB based on the PRA framework of gas-particle interactions (Pöschl-Rudich-Ammann, 2007. K2-SUB is applied to a popular model system of atmospheric heterogeneous chemistry: the interaction of ozone with oleic acid. We show that our modelling approach allows de-convoluting surface and bulk processes, which has been a controversial topic and remains an important challenge for the understanding and description of atmospheric aerosol transformation. In particular, we demonstrate how a detailed treatment of adsorption and reaction at the surface can be coupled to a description of bulk reaction and transport that is consistent with traditional resistor model formulations.
From literature data we have derived a consistent set of kinetic parameters that characterise mass transport and chemical reaction of ozone at the surface and in the bulk of oleic acid droplets. Due to the wide range of rate coefficients reported from different experimental studies, the exact proportions between surface and bulk reaction rates remain uncertain. Nevertheless, the model results suggest an important role of chemical reaction in the bulk and an approximate upper limit of ~10−11 cm2 s−1 for the surface reaction rate coefficient. Sensitivity studies show that the surface accommodation coefficient of the gas-phase reactant has a strong non-linear influence on both surface and bulk chemical reactions. We suggest that K2-SUB may be used to design, interpret and analyse future experiments for better discrimination between surface and bulk processes in the oleic acid-ozone system as well as in other heterogeneous reaction systems of atmospheric relevance.
Plasma treatment of bulk niobium surface for superconducting rf cavities: Optimization of the experimental conditions on flat samples
Directory of Open Access Journals (Sweden)
M. Rašković
Full Text Available Accelerator performance, in particular the average accelerating field and the cavity quality factor, depends on the physical and chemical characteristics of the superconducting radio-frequency (SRF cavity surface. Plasma based surface modification provides an excellent opportunity to eliminate nonsuperconductive pollutants in the penetration depth region and to remove the mechanically damaged surface layer, which improves the surface roughness. Here we show that the plasma treatment of bulk niobium (Nb presents an alternative surface preparation method to the commonly used buffered chemical polishing and electropolishing methods. We have optimized the experimental conditions in the microwave glow discharge system and their influence on the Nb removal rate on flat samples. We have achieved an etching rate of 1.7 μm/min using only 3% chlorine in the reactive mixture. Combining a fast etching step with a moderate one, we have improved the surface roughness without exposing the sample surface to the environment. We intend to apply the optimized experimental conditions to the preparation of single cell cavities, pursuing the improvement of their rf performance.
Microwave surface resistance of bulk YBa2Cu3O6+x material
Fathy, A.; Kalokitis, D.; Belohoubek, E.; Sundar, H. G. K.; Safari, A.
Superconducting Y-Ba-Cu-O samples were prepared by conventional solid-state reaction. The microwave surface resistance of 1:2:3 compound superconductor material was measured in a special disk resonator structure at 10 GHz. At liquid-nitrogen temperatures the microwave surface resistance is comparable to that of Au. At lower temperature (~10 K) the surface resistance is an order of magnitude lower than that of Au at the same temperature.
Movimento e inativação do metribuzin em materiais de dois solos, sob diferentes densidades aparentes Movement and inactivation of metribuzin in two soil materials with different bulk densities
Directory of Open Access Journals (Sweden)
L.E.F. Fontes
Full Text Available Numa série de ensaios em laboratório e casa-de-vegetação, estudou-se a mobilidade e a inativação do herbicida metribuzin em materiais de um Latossolo e de um Podzólico representativos de duas regiões do Estado de Minas Gerais, em função de diferentes densidades aparentes. Ensaios biológicos foram utilizados para medir a inativação e a mobilidade do metribuzin nos diferentes solos e densidades. A densidade aparente alterou de forma pronunciada a quantidade de herbicida lixiviado através das colunas dos materiais dos solos estudados. Quanto maior a densidade, menor a quantidade de herbicida lixiviado. A quantidade de herbicida que permaneceu biologicamente ativo ao longo da coluna foi diretamente relacionada com a densidade, em cada solo. A mobilidade do metribuzin no material do Latossolo foi maior que no de Podzólico, em consequência de maior atividade coloidal deste.The leaching and inactivation of metribuzin were studied with materials of two mineral soilsat different bulk densities. Plastic tubing of' 7.25 cm diameter and 10 cm height were filled up with different amounts of soil to get different bulk densities. One kg/ha of a.i. of metribuzin placed on the surface are a of the column was le ached through these soil colums using 250 ml of water. The cotyledon disk bioassay method was used to detect the metribuzin leachet. The biological active metribuzin in the soil colunn at different depths, and the inativation abil ity of the soils were determined using the assay with cucumber (Cucumis sativus L. as test-plant. The increase of bulk density reduced the leaching and enhanced the biologically active metribuzin in the soil column. Metribuzin was more mobil in the Red -yellow Lato ssol and more inactivated in the Red-yellow Podzolic soils.
Nitride surface passivation of GaAs nanowires: impact on surface state density.
Alekseev, Prokhor A; Dunaevskiy, Mikhail S; Ulin, Vladimir P; Lvova, Tatiana V; Filatov, Dmitriy O; Nezhdanov, Alexey V; Mashin, Aleksander I; Berkovits, Vladimir L
Surface nitridation by hydrazine-sulfide solution, which is known to produce surface passivation of GaAs crystals, was applied to GaAs nanowires (NWs). We studied the effect of nitridation on conductivity and microphotoluminescence (μ-PL) of individual GaAs NWs using conductive atomic force microscopy (CAFM) and confocal luminescent microscopy (CLM), respectively. Nitridation is found to produce an essential increase in the NW conductivity and the μ-PL intensity as well evidence of surface passivation. Estimations show that the nitride passivation reduces the surface state density by a factor of 6, which is of the same order as that found for GaAs/AlGaAs nanowires. The effects of the nitride passivation are also stable under atmospheric ambient conditions for six months.
Tuning the relative concentration ratio of bulk defects to surface defects in TiO2 nanocrystals leads to high photocatalytic efficiency.
Kong, Ming; Li, Yuanzhi; Chen, Xiong; Tian, Tingting; Fang, Pengfei; Zheng, Feng; Zhao, Xiujian
TiO(2) nanocrystals with tunable bulk/surface defects were synthesized and characterized with TEM, XRD, BET, positron annihilation, and photocurrent measurements. The effect of defects on photocatalytic activity was studied. It was found for the first time that decreasing the relative concentration ratio of bulk defects to surface defects in TiO(2) nanocrystals could significantly improve the separation efficiency of photogenerated electrons and holes, thus significantly enhancing the photocatalytic efficiency.
Evaluation of surface energy state distribution and bulk defect concentration in DSSC photoanodes based on Sn, Fe, and Cu doped TiO{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Ako, Rajour Tanyi [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Ekanayake, Piyaisiri, E-mail: firstname.lastname@example.com [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Young, David James [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research -A*STAR, 3 Research Link, 117602 (Singapore); Faculty of Science, Health, Education and Engineering, University of the Sunshine Coast, Locked Bag 4, Maroochydore DC, Queensland, 4558 (Australia); Hobley, Jonathan [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Chellappan, Vijila [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Tan, Ai Ling [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Gorelik, Sergey; Subramanian, Gomathy Sandhya [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Lim, Chee Ming [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam)
transient decay at 430 nm for Fe doped TiO{sub 2} was ascribed to an increase in surface hole concentration resulting in poor current density in the Fe doped TiO{sub 2} photoanodes relative to pure TiO{sub 2}, Sn or Cu doped anodes. The charge transfer capacitance and the calculated electron lifetimes correlated well with the trend in current density of the photoanodes (Sn > Cu > pure TiO{sub 2}). The poor performance of Fe doped cells is due to faster recombination of injected electrons with surface holes while those of Sn and Cu were more influenced by the concentration of their bulk defects. These results demonstrate that the choice of selected metal ions doping onto TiO{sub 2} for a desired application should take into consideration the influence of bulk defect concentrations, the energy state distribution and the electron transfer properties in/on the oxide photoanodes.
Excitation of high density surface plasmon polariton vortex array
Kuo, Chun-Fu; Chu, Shu-Chun
This study proposes a method to excite surface plasmon polariton (SPP) vortex array of high spatial density on metal/air interface. A doughnut vector beam was incident at four rectangularly arranged slits to excite SPP vortex array. The doughnut vector beam used in this study has the same field intensity distribution as the regular doughnut laser mode, TEM01* mode, but a different polarization distribution. The SPP vortex array is achieved through the matching of both polarization state and phase state of the incident doughnut vector beam with the four slits. The SPP field distribution excited in this study contains stable array-distributed time-varying optical vortices. Theoretical derivation, analytical calculation and numerical simulation were used to discuss the characteristics of the induced SPP vortex array. The period of the SPP vortex array induced by the proposed method had only half SPPs wavelength. In addition, the vortex number in an excited SPP vortex array can be increased by enlarging the structure.
Gamma-ray yield dependence on bulk density and moisture content of a sample of a PGNAA setup. A Monte Carlo study
International Nuclear Information System (INIS)
Nagadi, M.M.; Naqvi, A.A.
Monte Carlo calculations were carried out to study the dependence of γ-ray yield on the bulk density and moisture content of a sample in a thermalneutron capture-based prompt gamma neutron activation analysis (PGNAA) setup. The results of the study showed a strong dependence of the γ-ray yield upon the sample bulk density. An order of magnitude increase in yield of 1.94 and 6.42 MeV prompt γ-rays from calcium in a Portland cement sample was observed for a corresponding order of magnitude increase in the sample bulk density. On the contrary the γ-ray yield has a weak dependence on sample moisture content and an increase of only 20% in yield of 1.94 and 6.42 MeV prompt γ-rays from calcium in the Portland cement sample was observed for an order of magnitude increase in the moisture content of the Portland cement sample. A similar effect of moisture content has been observed on the yield of 1.167 MeV prompt γ-rays from chlorine contaminants in Portland cement samples. For an order of magnitude increase in the moisture content of the sample, a 7 to 12% increase in the yield of the 1.167 MeV chlorine γ-ray was observed for the Portland cement samples containing 1 to 5 wt.% chlorine contaminants. This study has shown that effects of sample moisture content on prompt γ-ray yield from constituents of a Portland cement sample are insignificant in a thermal-neutrons capture-based PGNAA setup. (author)
Bulk and Surface Aqueous Speciation of Calcite: Implications for Low-Salinity Waterflooding of Carbonate Reservoirs
Yutkin, Maxim P.; Mishra, Himanshu; Patzek, Tadeusz; Lee, John; Radke, Clayton J.
and surface equilibria draws several important inferences about the proposed LSW oil-recovery mechanisms. Diffuse double-layer expansion (DLE) is impossible for brine ionic strength greater than 0.1 molar. Because of rapid rock/brine equilibration
Relation between bulk compressibility and surface energy of electron-hole liquids
International Nuclear Information System (INIS)
Singwi, K.S.; Tosi, M.P.
Attention is drawn to the existence of an empirical relation chiσ/asup(*)sub(B) approximately 1 between the compressibility, the surface energy and the excitonic radius in electron-hole liquids. (author)
A finite-density calculation of the surface tension of isotropic-nematic interfaces
International Nuclear Information System (INIS)
Moore, B.G.; McMullen, W.E.
The surface tension of the isotropic-nematic interface in a fluid of intermediate-sized hard particles is studied and calculated. The transition from isotropic to nematic is fixed to occur in a continuous fashion by varying the biaxiality of the model particles. A reversal in the preferred orientation of the bulk nematic relative to the isotropic-nematic interface suggests an oblique orientation of the bulk nematic. 32 refs., 8 figs
Bulk to nanostructured vanadium pentaoxide-nanowires (V2O5-NWs) for high energy density supercapacitors
Ahirrao, Dinesh J.; Mohanapriya., K.; Jha, Neetu
Vanadium pentoxide (V2O5) has attracted huge attention in field of energy storage including supercapacitor electrodes due to its low cost and layered structure. In this present study, Bulk V2O5 has been prepared by the calcination of ammonium metavanadate followed by the synthesis of V2O5-nanowires (V2O5-NWs) by hydrothermal treatment of bulk V2O5. Obtained V2O5-NWs was further used to fabricate the supercapacitor electrodes. Structure and morphology analyzed by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and Transmission electron microscopy (TEM). Energy storage capability of as prepared nanowires was investigated by Galvanostatic charge-discharge (GCD), cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) in aqueous electrolyte (1M H2SO4). High specific capacitantance of about 622 F/g was achieved at 1 A/g. Along with high storage by faradic charge storage mechanism; V2O5-NWs electrodes also possess high stability. It could retain 63% of its initial capacitance even after 1000 GCD cycles. Excellent performance of V2O5-NWs promotes its commercial utilization for the development of high performance supercapacitors.
A Snow Density Dataset for Improving Surface Boundary Conditions in Greenland Ice Sheet Firn Modeling
Directory of Open Access Journals (Sweden)
Robert S. Fausto
Full Text Available The surface snow density of glaciers and ice sheets is of fundamental importance in converting volume to mass in both altimetry and surface mass balance studies, yet it is often poorly constrained. Site-specific surface snow densities are typically derived from empirical relations based on temperature and wind speed. These parameterizations commonly calculate the average density of the top meter of snow, thereby systematically overestimating snow density at the actual surface. Therefore, constraining surface snow density to the top 0.1 m can improve boundary conditions in high-resolution firn-evolution modeling. We have compiled an extensive dataset of 200 point measurements of surface snow density from firn cores and snow pits on the Greenland ice sheet. We find that surface snow density within 0.1 m of the surface has an average value of 315 kg m−3 with a standard deviation of 44 kg m−3, and has an insignificant annual air temperature dependency. We demonstrate that two widely-used surface snow density parameterizations dependent on temperature systematically overestimate surface snow density over the Greenland ice sheet by 17–19%, and that using a constant density of 315 kg m−3 may give superior results when applied in surface mass budget modeling.
Sub-Surface and Bulk Creep Behaviour of Polyurethane/Clay Nanocomposites.
Jin, J; Yusoh, K; Zhang, H X; Song, M
A series of exfoliated and intercalated polyurethane organoclay nanocomposites were prepared by in situ polymerization of polyol/organoclay mixture, chain extender and diisocyanate. The creep behaviour of subsurface and bulk of the polyurethane coatings was investigated by nanoindentation technique and uniaxial conventional creep testing method, respectively. The results showed that the creep resistance of the nanocomposites was significantly improved by incorporation of organoclay. The enhancement of creep resistance was dependent on clay content as well as organoclay structure (exfoliation or intercalation) in the polymer matrix. With 1 wt% organoclay, the creep resistance increased by about 50% for the intercalated organoclay and 6% for the exfoliated organoclay systems, respectively, compared to the pristine polyurethane. Viscoelastic model was employed to investigate the effect of organoclay loadings on the creep performance of the polyurethane. Results showed the model was in good agreement with the experimental data. Incorporation of clay leads to an increase in elastic deformation especially in exfoliated polyurethane nanocomposites and induces a higher initial displacement at the early stage of creep.
Optimizing the bulk copolymerization of D,L-lactide and glycolide by response surface methodology
Directory of Open Access Journals (Sweden)
J. F. Rodriguez
Full Text Available Poly(D,L-lactide-co-glycolide, PLGA, is a biodegradable polyester with high interest in medical industry, especially when zinc (II 2-ethylhexanoate (ZnOct2 is used as catalyst substitute in polymerization processes as a substitute of the toxic tin (II 2-ethylhexanoate (SnOct2 together an initiator such as methanol to improve the reaction rate. This article shows the optimization of the bulk copolymerization method by using a factorial design approach on three experimental parameters: temperature (T, molar ratio monomers/catalyst (MC ratio and molar ratio initiator/catalyst (IC ratio. Their influence on mass conversion (X and number-average molecular weight (Mn was also discussed. Also it provides a useful tool to select in a fast way the proper experimental conditions for the obtaining of this polymer as a previous stage in the synthesis and impregnation of biodegradable scaffolds. This analysis revealed that the most relevant variable in the process is the temperature, being desirable to use the high value (160ºC in order to obtain high values of conversion and molecular weight.
Dynamics of cyanophenyl alkylbenzoate molecules in the bulk and in a surface layer adsorbed onto aerosil. Variation of the lengths of the alkyl chain
Energy Technology Data Exchange (ETDEWEB)
Frunza, Stefan [National Institute of Materials Physics, R-077125 Magurele (Romania); Schoenhals, Andreas [BAM Federal Institute of Materials Research and Testing, D-12205 Berlin (Germany); Frunza, Ligia, E-mail: firstname.lastname@example.com [National Institute of Materials Physics, R-077125 Magurele (Romania); Beica, Traian; Zgura, Irina; Ganea, Paul [National Institute of Materials Physics, R-077125 Magurele (Romania); Stoenescu, Daniel [Telecom-Bretagne, Departement d' Optique, Technopole Brest-Iroise 29238 Cedex (France)
Graphical abstract: The temperature dependence of the molecular mobility in composites shows an Arrhenius-type regime at low temperature and a glassy-type one at higher temperature separated by a crossover phenomenon. - Abstract: The molecular mobility of 4-butyl- and 4-pentyl-4'-cyanophenyl benzoate (CP4B, CP5B) and their composites prepared from aerosil A380 was investigated by broadband dielectric spectroscopy in a large temperature range. Thermogravimetric and infrared investigations were additionally performed. High silica density (larger than 7 g aerosil/1 g of liquid crystal) was selected to observe a thin layer adsorbed on the surface of the silica particles. The data were compared with those of the member of the series with six carbon atoms in the alkyl tail. Bulk CP4B and CP5B show the dielectric behaviour expected for liquid crystals. For the composites one relaxation process is observed at frequencies much lower than those for the corresponding bulk, which was assigned to the dynamics of the molecules in a surface layer. The temperature dependence of the relaxation rates (and of the dielectric strength) shows a crossover behaviour with two distinguished regimes. At higher temperatures the data obey the Vogel-Fulcher-Tammann law, whereas an Arrhenius law is observed at lower temperature, in a close similarity to the behaviour of a constrained dynamic glass transition. The estimated Vogel and crossover temperature is independent on the tail length, while the activation energy for the low temperature branch increases weakly with increasing the alkyl tail.
Bulk and surface properties of liquid Al-Cr and Cr-Ni alloys
International Nuclear Information System (INIS)
Novakovic, R
The energetics of mixing and structural arrangement in liquid Al-Cr and Cr-Ni alloys has been analysed through the study of surface properties (surface tension and surface segregation), dynamic properties (chemical diffusion) and microscopic functions (concentration fluctuations in the long-wavelength limit and chemical short-range order parameter) in the framework of statistical mechanical theory in conjunction with quasi-lattice theory. The Al-Cr phase diagram exhibits the existence of different intermetallic compounds in the solid state, while that of Cr-Ni is a simple eutectic-type phase diagram at high temperatures and includes the low-temperature peritectoid reaction in the range near a CrNi 2 composition. Accordingly, the mixing behaviour in Al-Cr and Cr-Ni alloy melts was studied using the complex formation model in the weak interaction approximation and by postulating Al 8 Cr 5 and CrNi 2 chemical complexes, respectively, as energetically favoured.
Bulk and surface properties of liquid Al-Cr and Cr-Ni alloys.
Novakovic, R
The energetics of mixing and structural arrangement in liquid Al-Cr and Cr-Ni alloys has been analysed through the study of surface properties (surface tension and surface segregation), dynamic properties (chemical diffusion) and microscopic functions (concentration fluctuations in the long-wavelength limit and chemical short-range order parameter) in the framework of statistical mechanical theory in conjunction with quasi-lattice theory. The Al-Cr phase diagram exhibits the existence of different intermetallic compounds in the solid state, while that of Cr-Ni is a simple eutectic-type phase diagram at high temperatures and includes the low-temperature peritectoid reaction in the range near a CrNi(2) composition. Accordingly, the mixing behaviour in Al-Cr and Cr-Ni alloy melts was studied using the complex formation model in the weak interaction approximation and by postulating Al(8)Cr(5) and CrNi(2) chemical complexes, respectively, as energetically favoured.
Nucleation and growth of vapor bubbles in the liquid bulk and at a solid surface
International Nuclear Information System (INIS)
Yagov, V.V.
The main achievements in the study of the vapor phase origin in liquid and the subsequent growth of the vapor bubbles are presented briefly, and a number of issues on which there is no single opinion as yet are also outlined. The theory of homogeneous nucleation and a great number of experiments make it possible not only to explain qualitatively the causes of spontaneous formation of vapor nucleation centers in the metastable liquid but provides a simple computational relation for the estimating the intensity of this process. None of the existing hypotheses, however, can give a complete answer to the question of the mechanism of the vapor phase nucleation on a solid surface under ''pure conditions'', although this is a more pressing problem. At the same time, the role of cavities of reservoir type (with a narrow orifice) on the surface under heating as reliable stabilizers of the vapor formation (especially in liquid metals) is clarified from the practical point of view. Thus, the identification of technology for production of such cavities would make it possible to increase substantially the efficiency of heat transferring surfaces. Any computational relations for the growth of bubbles on the heating surface also are (and, according to the author, necessarily will be) approximate ones, although considerable success has been achieved in this field
Energy Technology Data Exchange (ETDEWEB)
Williams, Jonathan P.; McPartland, Conor, E-mail: firstname.lastname@example.com [Institute for Astronomy, University of Hawaii at Manoa, Honolulu, HI 96822 (United States)
The gas and dust are spatially segregated in protoplanetary disks due to the vertical settling and radial drift of large grains. A fuller accounting of the mass content and distribution in disks therefore requires spectral line observations. We extend the modeling approach presented in Williams and Best to show that gas surface density profiles can be measured from high fidelity {sup 13}CO integrated intensity images. We demonstrate the methodology by fitting ALMA observations of the HD 163296 disk to determine a gas mass, M {sub gas} = 0.048 M {sub ⊙}, and accretion disk characteristic size R {sub c} = 213 au and gradient γ = 0.39. The same parameters match the C{sup 18}O 2–1 image and indicate an abundance ratio [{sup 12}CO]/[C{sup 18}O] of 700 independent of radius. To test how well this methodology can be applied to future line surveys of smaller, lower mass T Tauri disks, we create a large {sup 13}CO 2–1 image library and fit simulated data. For disks with gas masses 3–10 M {sub Jup} at 150 pc, ALMA observations with a resolution of 0.″2–0.″3 and integration times of ∼20 minutes allow reliable estimates of R {sub c} to within about 10 au and γ to within about 0.2. Economic gas imaging surveys are therefore feasible and offer the opportunity to open up a new dimension for studying disk structure and its evolution toward planet formation.
Energy Technology Data Exchange (ETDEWEB)
Lilly, Simon J.; Carollo, C. Marcella [Institute for Astronomy, Department of Physics, ETH Zurich, 8093 Zurich (Switzerland)
There are very strong observed correlations between the specific star formation rates (sSFRs) of galaxies and their mean surface mass densities, Σ, as well as other aspects of their internal structure. These strong correlations have often been taken to argue that the internal structure of a galaxy must play a major physical role, directly or indirectly, in the control of star formation. In this paper we show by means of a very simple toy model that these correlations can arise naturally without any such physical role once the observed evolution of the size–mass relation for star-forming galaxies is taken into account. In particular, the model reproduces the sharp threshold in Σ between galaxies that are star-forming and those that are quenched and the evolution of this threshold with redshift. Similarly, it produces iso-quenched-fraction contours in the f {sub Q}( m , R {sub e}) plane that are almost exactly parallel to lines of constant Σ for centrals and shallower for satellites. It does so without any dependence on quenching on size or Σ and without invoking any differences between centrals and satellites, beyond the different mass dependences of their quenching laws. The toy model also reproduces several other observations, including the sSFR gradients within galaxies and the appearance of inside-out build-up of passive galaxies. Finally, it is shown that curvature in the main-sequence sSFR–mass relation can produce curvature in the apparent B / T ratios with mass. Our analysis therefore suggests that many of the strong correlations that are observed between galaxy structure and sSFR may well be a consequence of things unrelated to quenching and should not be taken as evidence of the physical processes that drive quenching.
Superior critical current density obtained in MgB_2 bulks via employing carbon-coated boron and minor Cu addition
International Nuclear Information System (INIS)
Peng, Junming; Liu, Yongchang; Ma, Zongqing; Shahriar Al Hossain, M.; Xin, Ying; Jin, Jianxun
Highlights: • Usage of carbon-coated boron leads to high level of homogeneous carbon doping. • Cu addition improves MgB_2 grain connectivity, leading to higher J_c at low fields. • Cu addition reduces MgO impurity, also contributing to the improvement of J_c. - Abstract: High performance Cu doped MgB_2 bulks were prepared by an in-situ method with carbon-coated amorphous boron as precursor. It was found that the usage of carbon-coated boron in present work leads to the formation of uniformly refined MgB_2 grains, as well as a high level of homogeneous carbon doping in the MgB_2 samples, which significantly enhance the J_c in both Cu doped and undoped bulks compared to MgB_2 bulks with normal amorphous boron precursor. Moreover, minor Cu can service as activator, and thus facilitates the growth of MgB_2 grains and improves crystallinity and grain connectivity, which can bring about the excellent critical current density (J_c) at self fields and low fields (the best values are 7 × 10"5 A/cm"2 at self fields, and 1 × 10"5 A/cm"2 at 2 T, 20 K, respectively). Simultaneously, minor Cu addition can reduce the amount of MgO impurity significantly, also contributing to the improvement of J_c at low fields. Our work suggests that Cu-activated sintering combined with employment of carbon-coated amorphous boron as precursor could be a promising technique to produce practical MgB_2 bulks or wires with excellent J_c on an industrial scale.
Superior critical current density obtained in MgB{sub 2} bulks via employing carbon-coated boron and minor Cu addition
Energy Technology Data Exchange (ETDEWEB)
Peng, Junming; Liu, Yongchang [State Key Laboratory of Hydraulic Engineering Simulation and Safety, School of Materials Science & Engineering, Tianjin University, Tianjin 300072 (China); Ma, Zongqing, E-mail: firstname.lastname@example.com [State Key Laboratory of Hydraulic Engineering Simulation and Safety, School of Materials Science & Engineering, Tianjin University, Tianjin 300072 (China); Institute for Superconducting and Electronic Materials, AIIM, University of Wollongong, Squires Way, North Wollongong, NSW 2500 (Australia); Shahriar Al Hossain, M. [Institute for Superconducting and Electronic Materials, AIIM, University of Wollongong, Squires Way, North Wollongong, NSW 2500 (Australia); Xin, Ying; Jin, Jianxun [Tianjin University – Futong Group Research Center of Applied Superconductivity, Tianjin University, Tianjin 300072 (China)
Highlights: • Usage of carbon-coated boron leads to high level of homogeneous carbon doping. • Cu addition improves MgB{sub 2} grain connectivity, leading to higher J{sub c} at low fields. • Cu addition reduces MgO impurity, also contributing to the improvement of J{sub c}. - Abstract: High performance Cu doped MgB{sub 2} bulks were prepared by an in-situ method with carbon-coated amorphous boron as precursor. It was found that the usage of carbon-coated boron in present work leads to the formation of uniformly refined MgB{sub 2} grains, as well as a high level of homogeneous carbon doping in the MgB{sub 2} samples, which significantly enhance the J{sub c} in both Cu doped and undoped bulks compared to MgB{sub 2} bulks with normal amorphous boron precursor. Moreover, minor Cu can service as activator, and thus facilitates the growth of MgB{sub 2} grains and improves crystallinity and grain connectivity, which can bring about the excellent critical current density (J{sub c}) at self fields and low fields (the best values are 7 × 10{sup 5} A/cm{sup 2} at self fields, and 1 × 10{sup 5} A/cm{sup 2} at 2 T, 20 K, respectively). Simultaneously, minor Cu addition can reduce the amount of MgO impurity significantly, also contributing to the improvement of J{sub c} at low fields. Our work suggests that Cu-activated sintering combined with employment of carbon-coated amorphous boron as precursor could be a promising technique to produce practical MgB{sub 2} bulks or wires with excellent J{sub c} on an industrial scale.
An investigation of crown fuel bulk density effects on the dynamics of crown fire initiation in shrublands
Watcharapong Tachajapong; Jesse Lozano; Shankar Mahalingam; Xiangyang Zhou; David R. Weise
Crown fire initiation is studied by using a simple experimental and detailed physical modeling based on Large Eddy Simulation (LES). Experiments conducted thus far reveal that crown fuel ignition via surface fire occurs when the crown base is within the continuous flame region and does not occur when the crown base is located in the hot plume gas region of the surface...
Local density approach to surfaces and adsorbed layers
International Nuclear Information System (INIS)
Wimmer, E.; Freeman, A.J.; Weinert, M.
The authors show that the local density problem for the thin film geometry can be solved with high accuracy by employing the all-electron full-potential linearized augmented-plane-wave method. This is achieved by removing all shape approximations in the charge density and the potential and by using a highly flexible variational basis set. Also demonstrated is the fact that for a graphite monolayer, local density total energies give excellent descriptions of equilibrium geometries and discuss the overestimation of local-density cohesive energies due to an incomplete treatment of correlation effects in the free atom
Characterization of the intrinsic density profiles for liquid surfaces
International Nuclear Information System (INIS)
Chacon, Enrique; Tarazona, Pedro
This paper presents recent advances in the characterization of the intrinsic structures in computer simulations of liquid surfaces. The use of operational definitions for the intrinsic surface, associated with each molecular configuration of a liquid slab, gives direct access to the intrinsic profile and to the wavevector dependent surface tension. However, the characteristics of these functions depend on the definition used for the intrinsic surface. We discuss the pathologies associated with a local Gibbs dividing surface definition, and consider the alternative definition of a minimal area surface, going though a set of surface pivots, self-consistently chosen to represent the first liquid layer
Controlled assembly of high-order nanoarray metal structures on bulk copper surface by femtosecond laser pulses
Qin, Wanwan; Yang, Jianjun
We report a new one-step maskless method to fabricate high-order nanoarray metal structures comprising periodic grooves and particle chains on a single-crystal Cu surface using femtosecond laser pulses at the central wavelength of 400 nm. Remarkably, when a circularly polarized infrared femtosecond laser pulse (spectrally centered at 800 nm) pre-irradiates the sample surface, the geometric dimensions of the composite structure can be well controlled. With increasing the energy fluence of the infrared laser pulse, both the groove width and particle diameter are observed to reduce, while the measured spacing-to-diameter ratio of the nanoparticles tends to present an increasing tendency. A physical scenario is proposed to elucidate the underlying mechanisms: as the infrared femtosecond laser pulse pre-irradiates the target, the copper surface is triggered to display anomalous transient physical properties, on which the subsequently incident Gaussian blue laser pulse is spatially modulated into fringe-like energy depositions via the excitation of ultrafast surface plasmon. During the following relaxation processes, the periodically heated thin-layer regions can be transferred into the metastable liquid rivulets and then they break up into nanodroplet arrays owing to the modified Rayleigh-like instability. This investigation indicates a simple integrated approach for active designing and large-scale assembly of complexed functional nanostructures on bulk materials.
A local leaky-box model for the local stellar surface density-gas surface density-gas phase metallicity relation
Zhu, Guangtun Ben; Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Yan, Renbin; Brinkmann, Jonathan
We revisit the relation between the stellar surface density, the gas surface density and the gas-phase metallicity of typical disc galaxies in the local Universe with the SDSS-IV/MaNGA survey, using the star formation rate surface density as an indicator for the gas surface density. We show that these three local parameters form a tight relationship, confirming previous works (e.g. by the PINGS and CALIFA surveys), but with a larger sample. We present a new local leaky-box model, assuming star-formation history and chemical evolution is localized except for outflowing materials. We derive closed-form solutions for the evolution of stellar surface density, gas surface density and gas-phase metallicity, and show that these parameters form a tight relation independent of initial gas density and time. We show that, with canonical values of model parameters, this predicted relation match the observed one well. In addition, we briefly describe a pathway to improving the current semi-analytic models of galaxy formation by incorporating the local leaky-box model in the cosmological context, which can potentially explain simultaneously multiple properties of Milky Way-type disc galaxies, such as the size growth and the global stellar mass-gas metallicity relation.
Decoupling single nanowire mobilities limited by surface scattering and bulk impurity scattering
International Nuclear Information System (INIS)
Khanal, D. R.; Levander, A. X.; Wu, J.; Yu, K. M.; Liliental-Weber, Z.; Walukiewicz, W.; Grandal, J.; Sanchez-Garcia, M. A.; Calleja, E.
We demonstrate the isolation of two free carrier scattering mechanisms as a function of radial band bending in InN nanowires via universal mobility analysis, where effective carrier mobility is measured as a function of effective electric field in a nanowire field-effect transistor. Our results show that Coulomb scattering limits effective mobility at most effective fields, while surface roughness scattering only limits mobility under very high internal electric fields. High-energy α particle irradiation is used to vary the ionized donor concentration, and the observed decrease in mobility and increase in donor concentration are compared to Hall effect results of high-quality InN thin films. Our results show that for nanowires with relatively high doping and large diameters, controlling Coulomb scattering from ionized dopants should be given precedence over surface engineering when seeking to maximize nanowire mobility.
Improved critical current densities of bulk MgB.sub.2./sub. using carbon-coated amorphous boron
Czech Academy of Sciences Publication Activity Database
Muralidhar, M.; Higuchi, M.; Jirsa, Miloš; Diko, P.; Kokal, I.; Murakami, M.
Roč. 27, č. 4 (2017), s. 1-4, č. článku 6201104. ISSN 1051-8223 Institutional support: RVO:68378271 Keywords : carbon-encapsulated boron * critical current density * flux pinning * micro-structure Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.092, year: 2015
Measurements and TCAD Simulations of Bulk and Surface Radiation Damage Effects
F. Moscatelli; G. M. Bilei; A. Morozzi; G.-F. Dalla Betta; R. Mendicino; M. Boscardin; N. Zorzi; L. Servoli; P. Maccagnani
In this work we propose the application of a radiation damage model based on the introduction of deep level traps/recombination centers suitable for device level numerical simulation of radiation detectors at very high fluences (e.g. 1÷2×1016 1-MeV equivalent neutrons per square centimeter) combined with a surface damage model developed by using experimental parameters extracted from measurements from gamma irradiated p-type dedicated test structures.
Influence of bulk and surface phenomena on the hydrogen permeation through metals
International Nuclear Information System (INIS)
Waelbroeck, F.; Wienhold, P.; Winter, J.; Rota, E.; Bauno, T.
We discuss the permeation of hydrogen through metals and alloys such as iron, nickel, steels and Inconel wherein H dissolves endothermically from an H 2 gas. We assume first that trapping centers, surface contamination layers, the saturation of the H surface coverage and the implantation profile - when energetic ions drive the permeation - can be neglected, that a quasi-equilibrium exists between the H atom concentration ν in the adsorbed layer and c in the near surface layers and that the H solubility and diffusivity are homogeneous in the membrane. We evaluate thereafter separately the influence of these various effects and identify the parameter domains where appreciable corrections result. The permeation phenomenon is complex even when these simplifications are made: the penetration rate is proportional to the flux of thermal molecules, atoms or energetic ions - depending upon the case - which strike the surface; the diffusion in the metal is proportional to the gradient of c; the release rate depends on c 2 ; the time-dependent diffusion equation includes a double spatial derivative of c. Permeation can only be fully described when computer codes such as PERI is used. Simple analytical relations are however obtained in several limiting cases. They are the object of this report. Some of them had already been derived by other authors but they were not shown to be part of a single, self consistent permeation model. A comparison of predicted and experimental results shows that the simplified model describes surprisingly accurately the hydrogen exchange between gas and metal solutions. (orig./GSCH)
Surface and bulk magnetic properties of as-quenched FeNbB ribbons
Czech Academy of Sciences Publication Activity Database
Životský, O.; Postava, K.; Kraus, Luděk; Juraszek, J.; Jirásková, Yvonna; Teillet, J.; Barčová, K.; Švec, P.; Janičkovič, D.; Pištora, J.
Roč. 320, č. 8 (2008), s. 1535-1540 ISSN 0304-8853 R&D Projects: GA ČR GA202/05/2111; GA AV ČR KAN400100653 Institutional research plan: CEZ:AV0Z20410507; CEZ:AV0Z10100520 Keywords : Surface nanocrystallization * Fe-based ribbon * depth profile Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.283, year: 2008
The Surface and Bulk Magnetic Properties of Fe-Al Alloys
Czech Academy of Sciences Publication Activity Database
Hendrych, A.; Žitovsky, O.; Jirásková, Yvonna; Matko, I.
Roč. 126, č. 1 (2014), s. 58-59 ISSN 0587-4246. [CSMAG Czech and Slovak Conference on Magnetism /15./. Košice, 17.06.2013-21.06.2013] R&D Projects: GA MŠk 7AMB12SK009 Institutional support: RVO:68081723 Keywords : Fe-Al * MOKE * Surface properties * MFM Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.530, year: 2014
On the modelling of semi-insulating GaAs including surface tension and bulk stresses
Energy Technology Data Exchange (ETDEWEB)
Dreyer, W.; Duderstadt, F.
Necessary heat treatment of single crystal semi-insulating Gallium Arsenide (GaAs), which is deployed in micro- and opto- electronic devices, generate undesirable liquid precipitates in the solid phase. The appearance of precipitates is influenced by surface tension at the liquid/solid interface and deviatoric stresses in the solid. The central quantity for the description of the various aspects of phase transitions is the chemical potential, which can be additively decomposed into a chemical and a mechanical part. In particular the calculation of the mechanical part of the chemical potential is of crucial importance. We determine the chemical potential in the framework of the St. Venant-Kirchhoff law which gives an appropriate stress/strain relation for many solids in the small strain regime. We establish criteria, which allow the correct replacement of the St. Venant-Kirchhoff law by the simpler Hooke law. The main objectives of this study are: (i) We develop a thermo-mechanical model that describes diffusion and interface motion, which both are strongly influenced by surface tension effects and deviatoric stresses. (ii) We give an overview and outlook on problems that can be posed and solved within the framework of the model. (iii) We calculate non-standard phase diagrams, i.e. those that take into account surface tension and non-deviatoric stresses, for GaAs above 786 C, and we compare the results with classical phase diagrams without these phenomena. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Grootes, M. W.; Tuffs, R. J.; Andrae, E. [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg (Germany); Popescu, C. C.; Pastrav, B. [Jeremiah Horrocks Institute, University of Central Lancashire, Preston PR1 2HE (United Kingdom); Gunawardhana, M.; Taylor, E. N. [Sydney Institute for Astronomy, School of Physics, University of Sydney, NSW 206 (Australia); Kelvin, L. S.; Driver, S. P. [Scottish Universities' Physics Alliance (SUPA), School of Physics and Astronomy, University of St. Andrews, North Haugh, St. Andrews KY16 9SS (United Kingdom); Liske, J. [European Southern Observatory, Karl-Schwarzschild Str. 2, D-85748 Garching (Germany); Seibert, M. [Observatories of the Carnegie Institution for Science, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); Graham, Alister W. [Centre for Astrophysics and Supercomputing, Swinburne University of Technology, Hawthorn, Victoria 3122 (Australia); Baes, M. [Sterrenkundig Observatorium, Universiteit Gent, Krijgslaan 281 S9, B-9000 Gent (Belgium); Baldry, I. K. [Astrophysics Research Institute, Liverpool John Moores University, Twelve Quays House, Egerton Wharf, Birkenhead CH41 1LD (United Kingdom); Bourne, N. [Centre for Astronomy and Particle Theory, The School of Physics and Astronomy, Nottingham University, University Park Campus, Nottingham NG7 2RD (United Kingdom); Brough, S. [Australian Astronomical Observatory, P.O. Box 296, Epping, NSW 1710 (Australia); Cooray, A. [Department of Physics and Astronomy, University of California, Irvine, CA 92697 (United States); Dariush, A. [Physics Department, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); De Zotti, G. [INAF-Osservatorio Astronomico di Padova, Vicolo Osservatorio 5, I-35122 Padova (Italy); Dunne, L., E-mail: firstname.lastname@example.com [Department of Physics and Astronomy, University of Canterbury, Private Bag 4800, Christchurch 8140 (New Zealand); and others
We report the discovery of a well-defined correlation between B-band face-on central optical depth due to dust, {tau}{sup f}{sub B}, and the stellar mass surface density, {mu}{sub *}, of nearby (z {<=} 0.13) spiral galaxies. This relation was derived from a sample of spiral galaxies taken from the Galaxy and Mass Assembly (GAMA) survey, which were detected in the FIR/submillimeter (submm) in the Herschel-ATLAS science demonstration phase field. Using a quantitative analysis of the NUV attenuation-inclination relation for complete samples of GAMA spirals categorized according to stellar mass surface density, we demonstrate that this correlation can be used to statistically correct for dust attenuation purely on the basis of optical photometry and Sersic-profile morphological fits. Considered together with previously established empirical relationships of stellar mass to metallicity and gas mass, the near linearity and high constant of proportionality of the {tau}{sub B}{sup f} - {mu}{sub *} relation disfavors a stellar origin for the bulk of refractory grains in spiral galaxies, instead being consistent with the existence of a ubiquitous and very rapid mechanism for the growth of dust in the interstellar medium. We use the {tau}{sub B}{sup f} - {mu}{sub *} relation in conjunction with the radiation transfer model for spiral galaxies of Popescu and Tuffs to derive intrinsic scaling relations between specific star formation rate (SFR), stellar mass, and stellar surface density, in which attenuation of the UV light used for the measurement of SFR is corrected on an object-to-object basis. A marked reduction in scatter in these relations is achieved which we demonstrate is due to correction of both the inclination-dependent and face-on components of attenuation. Our results are consistent with a general picture of spiral galaxies in which most of the submm emission originates from grains residing in translucent structures, exposed to UV in the diffuse interstellar
Efficacy of surface error corrections to density functional theory calculations of vacancy formation energy in transition metals.
Nandi, Prithwish Kumar; Valsakumar, M C; Chandra, Sharat; Sahu, H K; Sundar, C S
We calculate properties like equilibrium lattice parameter, bulk modulus and monovacancy formation energy for nickel (Ni), iron (Fe) and chromium (Cr) using Kohn-Sham density functional theory (DFT). We compare the relative performance of local density approximation (LDA) and generalized gradient approximation (GGA) for predicting such physical properties for these metals. We also make a relative study between two different flavors of GGA exchange correlation functional, namely PW91 and PBE. These calculations show that there is a discrepancy between DFT calculations and experimental data. In order to understand this discrepancy in the calculation of vacancy formation energy, we introduce a correction for the surface intrinsic error corresponding to an exchange correlation functional using the scheme implemented by Mattsson et al (2006 Phys. Rev. B 73 195123) and compare the effectiveness of the correction scheme for Al and the 3d transition metals.
Mean field diffusion models for precipitation in crystalline GaAs including surface tension and bulk stresses
Energy Technology Data Exchange (ETDEWEB)
Dreyer, Wolfgang [Weierstrass-Institut fuer Angewandte Analysis und Stochastik (WIAS) im Forschungsverbund Berlin e.V. (Germany); Kimmerle, Sven-Joachim [Humboldt-Univ. Berlin (Germany). Dept. of Mathematics
Based on a thermodynamically consistent model for precipitation in gallium arsenide crystals including surface tension and bulk stresses by Dreyer and Duderstadt, we propose different mathematical models to describe the size evolution of liquid droplets in a crystalline solid. The first class of models treats the diffusion-controlled regime of interface motion, while the second class is concerned with the interface-controlled regime of interface motion. Our models take care of conservation of mass and substance. We consider homogenised models, where different length scales of the experimental situation have been exploited in order to simplify the equations. These homogenised models generalise the well-known Lifshitz-Slyozov-Wagner model for Ostwald ripening. Mean field models capture the main properties of our system and are well adapted for numerics and further analysis. Numerical evidence suggests in which case which one of the two regimes might be appropriate to the experimental situation. (orig.)
Experimental determination of the phonon state density in the bulk and finely dispersed polycrystalline Fe1-xO
International Nuclear Information System (INIS)
Bulat, I.A.; Pashkovskij, Yu.L.; Semencheva, O.P.
Density of phonon states, that is, g(ε) of polycrystalline Fe 1-x O at x=0.08 and intermediate crystallites equl to 100 and smaller, than 1μm is measured using inelastic scattering of cold neutrons at E 0 =4.43 MeV and T=293 K. Technique of separation of contributions of neutron lattice and magnetic scattering at transitions of Fe 2+ ion orbital moment which is incompletely frozen was used for measurements. Additional peculiarities of E(ε) at low energy values and density of finely dispersed powder states which is essentially suppressed, within optical frequency range are explained by presence of vacancies and defect clusters
Determination of the plastic deformation and residual stress tensor distribution using surface and bulk intrinsic magnetic properties
International Nuclear Information System (INIS)
Hristoforou, E.; Svec, P. Sr.
We have developed an unique method to provide the stress calibration curve in steels: performing flaw-less welding in the under examination steel, we obtained to determine the level of the local plastic deformation and the residual stress tensors. These properties where measured using both the X-ray and the neutron diffraction techniques, concerning their surface and bulk stresses type II (intra-grain stresses) respectively, as well as the stress tensor type III by using the electron diffraction technique. Measuring the distribution of these residual stresses along the length of a welded sample or structure, resulted in determining the local stresses from the compressive to tensile yield point. Local measurement of the intrinsic surface and bulk magnetic property tensors allowed for the un-hysteretic correlation. The dependence of these local magnetic tensors with the above mentioned local stress tensors, resulting in a unique and almost un-hysteretic stress calibration curve of each grade of steel. This calibration integrated the steel's mechanical and thermal history, as well as the phase transformations and the presence of precipitations occurring during the welding process.Additionally to that, preliminary results in different grade of steels reveal the existence of a universal law concerning the dependence of magnetic and magnetostrictive properties of steels on their plastic deformation and residual stress state, as they have been accumulated due to their mechanical and thermal fatigue and history. This universality is based on the unique dependence of the intrinsic magnetic properties of steels normalized with a certain magnetoelastic factor, upon the plastic deformation or residual stress state, which, in terms, is normalized with their yield point of stress. (authors)
Surface Passivation for Reliable Measurement of Bulk Electronic Properties of Heterojunction Devices.
Bissig, Benjamin; Guerra-Nunez, Carlos; Carron, Romain; Nishiwaki, Shiro; La Mattina, Fabio; Pianezzi, Fabian; Losio, Paolo A; Avancini, Enrico; Reinhard, Patrick; Haass, Stefan G; Lingg, Martina; Feurer, Thomas; Utke, Ivo; Buecheler, Stephan; Tiwari, Ayodhya N
Quantum efficiency measurements of state of the art Cu(In,Ga)Se 2 (CIGS) thin film solar cells reveal current losses in the near infrared spectral region. These losses can be ascribed to inadequate optical absorption or poor collection of photogenerated charge carriers. Insight on the limiting mechanism is crucial for the development of more efficient devices. The electron beam induced current measurement technique applied on device cross-sections promises an experimental access to depth resolved information about the charge carrier collection probability. Here, this technique is used to show that charge carrier collection in CIGS deposited by multistage co-evaporation at low temperature is efficient over the optically active region and collection losses are minor as compared to the optical ones. Implications on the favorable absorber design are discussed. Furthermore, it is observed that the measurement is strongly affected by cross-section surface recombination and an accurate determination of the collection efficiency is not possible. Therefore it is proposed and shown that the use of an Al 2 O 3 layer deposited onto the cleaved cross-section significantly improves the accuracy of the measurement by reducing the surface recombination. A model for the passivation mechanism is presented and the passivation concept is extended to other solar cell technologies such as CdTe and Cu 2 (Zn,Sn)(S,Se) 4 . © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Cr 3d surface and bulk states in Sn1-xCrxTe/Cr crystals
International Nuclear Information System (INIS)
Guziewicz, E.; Szamota-Sadowska, K.; Kowalski, B.J.; Grodzicka, E.; Story, T.; Orlowski, B.A.; Johnson, R.L.
We report a new approach to investigate metal-semiconductor interface formation. Photoemission spectroscopy was applied in order to investigate the clean surface of a Sn 0.97 Cr 0.03 Te crystal and to observe its changes under sequential deposition of small amounts of Cr atoms. In order to analyse the Cr 3d contribution to the valence band, the Fano-type resonance tuned to the Cr 3p-3d transmission was used. The experiment was designed to follow the Sn 0.97 Cr 0.03 Te/Cr interface formation process. At the clean Sn 0.97 Cr 0.03 Te surface, the Cr 3d states contribution to the valence band was found to be positioned 0.8 eV below Fermi level. After the Cr deposition processes the contribution shifted to a higher binding energy and another contribution 5.8 eV below the Fermi level also observed. (author)
High Density Periodic Metal Nanopyramids for Surface Enhanced Raman Spectroscopy
Jin, Mingliang
The work presented in this thesis is focused on two areas. First, a new type of nanotextured noble-metal surface has been developed. The new nanotextured surface is demonstrated to enhance inelastic (Raman) scattering, called surface enhanced Raman scattering (SERS), from molecules adsorbed on the
The Rashba-split surface state of Sb{sub 2}Te{sub 3}(0 0 0 1) and its interaction with bulk states
Energy Technology Data Exchange (ETDEWEB)
Seibel, Christoph; Maaß, Henriette [Experimentelle Physik VII and Röntgen Research Center for Complex Materials (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Bentmann, Hendrik, E-mail: firstname.lastname@example.com [Experimentelle Physik VII and Röntgen Research Center for Complex Materials (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Braun, Jürgen [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); Sakamoto, Kazuyuki [Department of Nanomaterials Science, Chiba University, Chiba 263-8522 (Japan); Arita, Masashi; Shimada, Kenya [Hiroshima Synchrotron Radiation Center, Hiroshima University, Kagamiyama 2-313, Higashi-Hiroshima 739-0046 (Japan); Minár, Jan [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Ebert, Hubert [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); and others
Highlights: • We investigate a spin–orbit split surface state on the Sb{sub 2}Te{sub 3}(0 0 0 1) surface. • The spin-splitting and dispersion follow the Rashba model at small wave vectors. • At higher wave vectors the spin-splitting shows an unsual non-monotonic evolution. • The spin-polarized surface bands connect with different bulk bands at the gap edge. - Abstract: The electronic structure of the Sb{sub 2}Te{sub 3}(0 0 0 1) surface exhibits a spin–orbit split surface state in a local energy gap of the projected bulk valence band continuum. We investigate this surface state by high-resolution angle-resolved photoemission spectroscopy (ARPES), spin-resolved ARPES and relativistic one-step photoemission calculations. At low wave vectors the dispersion and spin splitting are well-captured by the predictions of the Rashba model for a two-dimensional electron system. With increasing wave vectors, however, the surface state dispersion becomes more complex and the spin splitting size exhibits an unusual non-monotonic evolution. These deviations from the Rashba model arise from the influence of bulk continuum states near the edge of the projected gap. The spin polarization of the surface state remains intact despite the coupling to bulk states.
In situ evaluation of density, viscosity, and thickness of adsorbed soft layers by combined surface acoustic wave and surface plasmon resonance.
Francis, Laurent A; Friedt, Jean-Michel; Zhou, Cheng; Bertrand, Patrick
We show the theoretical and experimental combination of acoustic and optical methods for the in situ quantitative evaluation of the density, the viscosity, and the thickness of soft layers adsorbed on chemically tailored metal surfaces. For the highest sensitivity and an operation in liquids, a Love mode surface acoustic wave (SAW) sensor with a hydrophobized gold-coated sensing area is the acoustic method, while surface plasmon resonance (SPR) on the same gold surface as the optical method is monitored simultaneously in a single setup for the real-time and label-free measurement of the parameters of adsorbed soft layers, which means for layers with a predominant viscous behavior. A general mathematical modeling in equivalent viscoelastic transmission lines is presented to determine the correlation between experimental SAW signal shifts and the waveguide structure including the presence of the adsorbed layer and the supporting liquid from which it segregates. A methodology is presented to identify from SAW and SPR simulations the parameters representatives of the soft layer. During the absorption of a soft layer, thickness or viscosity changes are observed in the experimental ratio of the SAW signal attenuation to the SAW signal phase and are correlated with the theoretical model. As application example, the simulation method is applied to study the thermal behavior of physisorbed PNIPAAm, a polymer whose conformation is sensitive to temperature, under a cycling variation of temperature between 20 and 40 degrees C. Under the assumption of the bulk density and the bulk refractive index of PNIPAAm, thickness and viscosity of the film are obtained from simulations; the viscosity is correlated to the solvent content of the physisorbed layer.
3D printed glass: surface finish and bulk properties as a function of the printing process
Klein, Susanne; Avery, Michael P.; Richardson, Robert; Bartlett, Paul; Frei, Regina; Simske, Steven
It is impossible to print glass directly from a melt, layer by layer. Glass is not only very sensitive to temperature gradients between different layers but also to the cooling process. To achieve a glass state the melt, has to be cooled rapidly to avoid crystallization of the material and then annealed to remove cooling induced stress. In 3D-printing of glass the objects are shaped at room temperature and then fired. The material properties of the final objects are crucially dependent on the frit size of the glass powder used during shaping, the chemical formula of the binder and the firing procedure. For frit sizes below 250 μm, we seem to find a constant volume of pores of less than 5%. Decreasing frit size leads to an increase in the number of pores which then leads to an increase of opacity. The two different binders, 2- hydroxyethyl cellulose and carboxymethylcellulose sodium salt, generate very different porosities. The porosity of samples with 2-hydroxyethyl cellulose is similar to frit-only samples, whereas carboxymethylcellulose sodium salt creates a glass foam. The surface finish is determined by the material the glass comes into contact with during firing.
Surface and bulk characterization of molten In and In-Sn alloys
Directory of Open Access Journals (Sweden)
Ricci E.
Full Text Available In this work a double contribution to the characterization of molten In and In-Sn alloys considered as main components of an important class of lead free solder materials is shown: the study of the influence of oxygen on the capillary phenomena and the XRD investigation of the structure of liquid in a range of temperatures around that of liquidus. The surface tension behaviour of In-Sn binary alloys at different compositions, in terms of effective oxygen pressure, were compared with the data of pure In and the theoretical predictions, revealing that the lower oxidizability of indium was shown to control indium–tin alloys with a tin content up to about 80 at% , due to the presence of the most volatile oxide In2O. From the XRD spectra the radial distribution functions (RDF have been determined for each alloys. Experiments of High Temperature X-ray diffraction (HT-XRD showed that atomic clustering forms in the melt immediately before the appearing of the first solid. The structure of clusters is correlated to that of solid.
A density functional theory study of uranium-doped thoria and uranium adatoms on the major surfaces of thorium dioxide
Energy Technology Data Exchange (ETDEWEB)
Shields, Ashley E. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Santos-Carballal, David [School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom); Leeuw, Nora H. de, E-mail: firstname.lastname@example.com [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom)
Thorium dioxide is of significant research interest for its use as a nuclear fuel, particularly as part of mixed oxide fuels. We present the results of a density functional theory (DFT) study of uranium-substituted thorium dioxide, where we found that increasing levels of uranium substitution increases the covalent nature of the bonding in the bulk ThO{sub 2} crystal. Three low Miller index surfaces have been simulated and we propose the Wulff morphology for a ThO{sub 2} particle and STM images for the (100), (110), and (111) surfaces studied in this work. We have also calculated the adsorption of a uranium atom and the U adatom is found to absorb strongly on all three surfaces, with particular preference for the less stable (100) and (110) surfaces, thus providing a route to the incorporation of uranium into a growing thoria particle. - Highlights: • Uranium substitution in ThO{sub 2} is found to increase the covalent nature of the ionic bonding. • The (111), (110), and (100) surfaces of ThO{sub 2} are studied and the particle morphology is proposed. • STM images of the (111), (110), and (100) surfaces of ThO{sub 2} are simulated. • Uranium adsorption on the major surfaces of ThO{sub 2} is studied.
Density functional theory of simple polymers in a slit pore. III. Surface tension
International Nuclear Information System (INIS)
Hooper, Justin B.; McCoy, John D.; Curro, John G.; Swol, Frank van
In a previous study of tangent hard-site chains near a surface, the inhomogeneous density profiles were found through density functional theory. In the current study, the surface tensions of these systems are found from the results of the previous study through a thermodynamic integration. The calculated surface tensions are then compared to those found directly through computer simulation. Both the surface tension and surface excess for polymeric systems are shown to differ qualitatively from those of atomic systems, although certain similarities are seen at high densities. (c) 2000 American Institute of Physics
A density functional study on properties of a Cu{sub 3}Zn material and CO adsorption onto its surfaces
Energy Technology Data Exchange (ETDEWEB)
Tang, Qian-Lin, E-mail: email@example.com [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi'an, Shaanxi 710071 (China); Duan, Xiao-Xuan; Liu, Bei; Wei, An-Qing; Liu, Sheng-Long [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi'an, Shaanxi 710071 (China); Wang, Qi, E-mail: firstname.lastname@example.com [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi'an, Shaanxi 710071 (China); Liang, Yan-Ping, E-mail: firstname.lastname@example.com [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi'an, Shaanxi 710071 (China); Ma, Xiao-Hua [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi'an, Shaanxi 710071 (China); State Key Discipline Laboratory of Wide Bandgap Semiconductor Technology, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi'an, Shaanxi 710071 (China)
Graphical abstract: Periodic first-principles calculations have been utilized to evaluate the bulk and surface properties of a Cu{sub 3}Zn alloy. - Highlights: • The bulk and surface properties of a DO{sub 23}-Cu{sub 3}Zn alloy were studied with DFT-GGA. • The stability of Cu{sub 3}Zn surfaces correlates with the coordination of surface atoms. • Both the (1 1 4) and (2 1 4) facets are most likely observed in Cu{sub 3}Zn alloy particles. • Covalent bonding influences overwhelmingly the adsorption between CO and Cu{sub 3}Zn. - Abstract: Prior experimental and theoretical efforts have provided strong evidence that the formation of α-brass such as Cu{sub 3}Zn alloys in Cu/ZnO/Al{sub 2}O{sub 3} CO{sub 2}/CO hydrogenation catalysts enhances dramatically the catalytic activity toward methanol synthesis. In this work, a density functional theory (DFT) slab model has been adopted to get information concerning the bulk and surface properties of DO{sub 23}-like Cu{sub 3}Zn and to explore CO molecular adsorption, which will help pave the way to future rationalization of the impact of surface alloying on Cu/ZnO-based catalysis for CO{sub 2} and CO hydrogenations. Our calculations imply that the bulk modulus and cohesive energy of the binary solid solution lie between the corresponding ones for the individual components, but only the former quantity equals its composition weighted average. From the DFT-computed surface energies, the stability of Cu{sub 3}Zn surfaces was predicted to be reinforced in the sequence (1 1 0) < (1 0 1) < (1 1 1) < (1 0 0) = (0 0 1) < (2 1 4) < (1 1 4), which can be interpreted as sensitive to the density change of surface dangling bonds. The downward shifts in the C–O stretch frequency measured experimentally over methanol synthesis catalysts at successively elevated reduction temperatures were correctly reproduced by the present simulation for the adsorption of CO to take place at Cu{sub 3}Zn(1 1 4), Cu{sub 3}Zn(2 1 4) and, as a reference
Critical current density in MgB2 bulk samples after co-doping with nano-SiC and poly zinc acrylate complexes
International Nuclear Information System (INIS)
Zhang, Z.; Suo, H.; Ma, L.; Zhang, T.; Liu, M.; Zhou, M.
SiC and poly zinc acrylate complexes co-doped MgB 2 bulk has been synthesized. Co-doping can cause higher carbon substitutions and the second phase particles. Co-doping can further increase the Jc value of MgB 2 bulk on the base of the SiC doping. The co-doped MgB 2 bulk samples have been synthesized using an in situ reaction processing. The additives is 8 wt.% SiC nano powders and 10 wt.% [(CH 2 CHCOO) 2 Zn] n poly zinc acrylate complexes (PZA). A systematic study was performed on samples doped with SiC or PZA and samples co-doped with both of them. The effects of doping and co-doping on phase formation, microstructure, and the variation of lattice parameters were studied. The amount of substituted carbon, the critical temperature (T c ) and the critical current density (J c ) were determined. The calculated lattice parameters show the decrease of the a-axis, while no obvious change was detected for c-axis parameter in co-doped samples. This indicates that the carbon was substituted by boron in MgB 2 . The amount of substituted carbon for the co-doped sample shows an enhancement compared to that of the both single doped samples. The co-doped samples perform the highest J c values, which reaches 3.3 x 10 4 A/cm 2 at 5 K and 7 T. It is shown that co-doping with SiC and organic compound is an effective way to further improve the superconducting properties of MgB 2 .
Improving the Accuracy of Satellite Sea Surface Temperature Measurements by Explicitly Accounting for the Bulk-Skin Temperature Difference
Wick, Gary A.; Emery, William J.; Castro, Sandra L.; Lindstrom, Eric (Technical Monitor)
The focus of this research was to determine whether the accuracy of satellite measurements of sea surface temperature (SST) could be improved by explicitly accounting for the complex temperature gradients at the surface of the ocean associated with the cool skin and diurnal warm layers. To achieve this goal, work was performed in two different major areas. The first centered on the development and deployment of low-cost infrared radiometers to enable the direct validation of satellite measurements of skin temperature. The second involved a modeling and data analysis effort whereby modeled near-surface temperature profiles were integrated into the retrieval of bulk SST estimates from existing satellite data. Under the first work area, two different seagoing infrared radiometers were designed and fabricated and the first of these was deployed on research ships during two major experiments. Analyses of these data contributed significantly to the Ph.D. thesis of one graduate student and these results are currently being converted into a journal publication. The results of the second portion of work demonstrated that, with presently available models and heat flux estimates, accuracy improvements in SST retrievals associated with better physical treatment of the near-surface layer were partially balanced by uncertainties in the models and extra required input data. While no significant accuracy improvement was observed in this experiment, the results are very encouraging for future applications where improved models and coincident environmental data will be available. These results are included in a manuscript undergoing final review with the Journal of Atmospheric and Oceanic Technology.
Characterization of lacunae density in pictorial surfaces using GIS software
Directory of Open Access Journals (Sweden)
Frederico Henriques
Full Text Available This study deals with the application of simple image-processing techniques, in a geographic information system (GIS environment, on a detailed digital photography of a retabular painting. The aim is to register semi-automatically the lacunae density, through reclassification, and point density estimation. The digital photography image used on the exercise displays a detail of a 16th century panel painting named "Resurrection of Lazarus", from the Rotunda of Christ Convent, in Tomar, Portugal. The final result is a thematic pathology map of lacunae type.
Annealing and surface conduction on Hydrogen peroxide treated bulk melt-grown, single crystal ZnO
International Nuclear Information System (INIS)
Mtangi, W.; Nel, J.M.; Auret, F.D.; Chawanda, A.; Diale, M.; Nyamhere, C.
We report on the studies carried out on hydrogen peroxide treated melt-grown, bulk single crystal ZnO samples. Results show the existence of two shallow donors in the as-received ZnO samples with energy levels (37.8±0.3) meV that has been suggested as Zn i related and possibly H-complex related and (54.5±0.9) meV, which has been assigned to an Al-related donor. Annealing studies performed on the hydrogen peroxide treated samples reveal the existence of a conductive channel in the samples in which new energy levels have been observed, Zn vacancies, related to the Group I elements, X Zn . The surface donor volume concentration of the conductive channel was calculated from a theory developed by Look (2007) . Results indicate an increase in the surface volume concentration with increasing annealing temperature from 60×10 17 cm −3 at 200 °C to 4.37×10 18 cm -3 at 800 °C.
Annealing and surface conduction on Hydrogen peroxide treated bulk melt-grown, single crystal ZnO
Energy Technology Data Exchange (ETDEWEB)
Mtangi, W., E-mail: email@example.com [University of Pretoria, Physics Department, Pretoria 0002 (South Africa); Nel, J.M.; Auret, F.D.; Chawanda, A.; Diale, M. [University of Pretoria, Physics Department, Pretoria 0002 (South Africa); Nyamhere, C. [Nelson Mandela Metropolitan University, Physics Department, P.O. Box 77000, Port Elizabeth 6031 (South Africa)
We report on the studies carried out on hydrogen peroxide treated melt-grown, bulk single crystal ZnO samples. Results show the existence of two shallow donors in the as-received ZnO samples with energy levels (37.8{+-}0.3) meV that has been suggested as Zn{sub i} related and possibly H-complex related and (54.5{+-}0.9) meV, which has been assigned to an Al-related donor. Annealing studies performed on the hydrogen peroxide treated samples reveal the existence of a conductive channel in the samples in which new energy levels have been observed, Zn vacancies, related to the Group I elements, X{sub Zn}. The surface donor volume concentration of the conductive channel was calculated from a theory developed by Look (2007) . Results indicate an increase in the surface volume concentration with increasing annealing temperature from 60 Multiplication-Sign 10{sup 17} cm{sup -3} at 200 Degree-Sign C to 4.37 Multiplication-Sign 10{sup 18} cm{sup -3} at 800 Degree-Sign C.
The measurement of moisture content and dry bulk-density of the top layer of agricultural soils, with minimum calibration, using a gamma-ray attenuation method
International Nuclear Information System (INIS)
Van der Westhuizen, M.; Van der Bank, D.J.; Meulke, M.
Various methods of measuring moisture content and dry bulk-density of soil by means of gamma-ray attenuation are discussed. A new method is described in which the same parameters can be measured in consecutive determinations, but for which only one sample of unknown volume is needed for calibration. This method employs a radioactive source in a lead container in an aluminium tube in the soil. From the container the gamma rays follow a path at an angle upwards through the soil towards the detector. The method was tested in a number of experiments and the results are given in tables and graphs. The conclusion is that this method, which is fairly easy and quick to use, is accurate enough for most applications [af
Improved critical current densities in bulk FeSe superconductor using ball milled powders and high temperature sintering
Energy Technology Data Exchange (ETDEWEB)
Muralidhar, M.; Furutani, K.; Murakami, M. [Graduate School of Science and Engineering, Superconducting Materials Laboratory, Shibaura Institute of Technology, Tokyo (Japan); Kumar, Dinesh; Rao, M.S. Ramachandra [Department of Physics, Nano Functional Materials Technology Centre and Materials Science Research Centre, Indian Institute of Technology Madras, Chennai (India); Koblischka, M.R. [Institute of Experimental Physics, Saarland University, Saarbruecken (Germany)
The present study is investigating the effect of high temperature sintering combined with ball milled powders for the preparation of FeSe material via solid state sintering technique. The commercial powders of Fe (99.9% purity) and Se (99.9% purity) were mixed in a nominal ratio Fe:Se = 1:1 and thoroughly ground and ball-milled in a glove box during 6 h. Then, the powder mixture was pressed into pellets of 5 mm in diameter and 2 mm thickness using an uniaxial pressure of 100 MPa. The samples were sealed in quartz tubes and sintered at 600 C for 24 h. Then, the pellets were again thoroughly ground and ball-milled in the glove box and pressed into pellets, and the final sintering was performed at two different temperatures, namely at 900 C for 24 h and at 950 C for 24 h. X-ray diffraction results confirmed that both samples showed mainly of the β-FeSe with tetragonal structure. The temperature dependence of magnetization (M-T) curves revealed a sharp superconducting transition T{sub c,} {sub onset} = 8.16 K for the sample sintered at 900 C. Further, scanning electron microscopy observations proved that samples sintered at 900 C show a platelike grain structure with high density. As a result, improved irreversibility fields around 5 T and the critical current density (J{sub c}) values of 6252 A cm{sup -2} at 5 K and self-field are obtained. Furthermore, the normalized volume pinning force versus the reduced field plots indicated a peak position at 0.4 for the sample sintered at 900 C. Improved flux pinning and the high J{sub c} values are attributed to the textured microstructure of the material, produced by a combination of high temperature sintering and ball milling. (copyright 2016 The Authors. Phys. Status Solidi A published by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Competition of bulk trapping and surface erosion in the kinetics of tritium inventory and permeation in plasma protection metals
International Nuclear Information System (INIS)
Federici, G.; Holland, D.F.; Esser, B.
A simplified transient model is presented to describe the migration of implanted tritium in the presence of trap sites across the bulk of metallic substrates whose thickness is decreasing with time due to erosion. The subject is relevant for quantifying the tritium inventory in - and permeation through -plasma facing armours in the next generation of D-T fuelled tokamak devices (i.e., the International Thermonuclear Experimental Reactor). This paper describes the equations of the physical model and the main assumptions used to simplify the complex analysis, and surveys the influence of several parameters such as the implantation flux, the erosion rate, the armour temperature, the armour thickness, the density and trapping energy of neutron-induced traps, etc., which are all expected to play a key role in the phenomena investigated. The examples presented to show the applicability of the model include the results of a study performed for beryllium armours exposed to heat and particle loads similar to those expected on the ITER divertor plasma facing components and comparison is made with cases where erosion does not play any role. (orig.)
Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Nelson, A.J. [Colorado School of Mines, Golden, CO (United States); Berry, G.; Rockett, A. [Univ. of Illinois, Urbana-Champaign, IL (United States)] [and others
Core-level and valence band photoemission from semiconductors has been shown to exhibit binding energy differences between surface atoms and bulk atoms, thus allowing one to unambiguously distinguish between the two atomic positions. Quite clearly, surface atoms experience a potential different from the bulk due to the lower coordination number - a characteristic feature of any surface is the incomplete atomic coordination. Theoretical accounts of this phenomena are well documented in the literature for III-V and II-VI semiconductors. However, surface state energies corresponding to the equilibrium geometry of (100) and (111) surfaces of Cu-based ternary chalcopyrite semiconductors have not been calculated or experimental determined. These compounds are generating great interest for optoelectronic and photovoltaic applications, and are an isoelectronic analog of the II-VI binary compound semiconductors. Surface core-level binding energy shifts depend on the surface cohesive energies, and surface cohesive energies are related to surface structure. For ternary compound semiconductor surfaces, such as CuInSe{sub 2}, one has the possibility of variations in surface stoichiometry. Applying standard thermodynamical calculations which consider the number of individual surface atoms and their respective chemical potentials should allow one to qualitatively determine the magnitude of surface core-level shifts and, consequently, surface state energies.
Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe2
International Nuclear Information System (INIS)
Nelson, A.J.; Berry, G.; Rockett, A.
Core-level and valence band photoemission from semiconductors has been shown to exhibit binding energy differences between surface atoms and bulk atoms, thus allowing one to unambiguously distinguish between the two atomic positions. Quite clearly, surface atoms experience a potential different from the bulk due to the lower coordination number - a characteristic feature of any surface is the incomplete atomic coordination. Theoretical accounts of this phenomena are well documented in the literature for III-V and II-VI semiconductors. However, surface state energies corresponding to the equilibrium geometry of (100) and (111) surfaces of Cu-based ternary chalcopyrite semiconductors have not been calculated or experimental determined. These compounds are generating great interest for optoelectronic and photovoltaic applications, and are an isoelectronic analog of the II-VI binary compound semiconductors. Surface core-level binding energy shifts depend on the surface cohesive energies, and surface cohesive energies are related to surface structure. For ternary compound semiconductor surfaces, such as CuInSe 2 , one has the possibility of variations in surface stoichiometry. Applying standard thermodynamical calculations which consider the number of individual surface atoms and their respective chemical potentials should allow one to qualitatively determine the magnitude of surface core-level shifts and, consequently, surface state energies
Flamelet Surface Density and Burning Rate Integral in Premixed Combustion
National Research Council Canada - National Science Library
Gouldin, F
We have developed, tested and applied in V-flames and a spark ignition engine a new experimental method, crossed-plane laser imaging, for measuring flamelet surface normals in premixed turbulent flames...
Momentum density and Fermi surface of Nd2-xCexCuO4-δ
International Nuclear Information System (INIS)
Shukla, A.; Barbiellini, B.; Hoffmann, L.; Manuel, A.A.; Sadowski, W.; Walker, E.; Peter, M.
High-temperature positron two-dimensional angular correlation of annihilation radiation (2D-ACAR) measurements have recently been succesfully applied to map parts of the Fermi surface of YBa 2 Cu 3 O 7-δ . Using the same principle, we have been able to observe with a bulk sensitive method, the Fermi surface of Nd 2-x Ce x CuO 4-δ . Although positron trapping by defects and correlation effects are strong, positron 2D-ACAR measurements provide a signal from the Fermi surface which agrees with band-structure calculations, confirming earlier surface sensitive photoemission experiments. copyright 1996 The American Physical Society
Lactoperoxidase catalyzed radioiodination of cell surface immunoglobulin: incorporated radioactivity may not reflect relative cell surface Ig density
International Nuclear Information System (INIS)
Wilder, R.L.; Yuen, C.C.; Mage, R.G.
Rabbit and mouse splenic lymphocytes were radioiodinated by the lactoperoxidase technique, extracted with non-ionic detergent, immunoprecipitated with high titered rabbit anti-kappa antisera, and compared by SDS-PAGE. Mouse sIg peaks were reproducibly larger in size than rabbit sIg peaks (often greater than 10 times). Neither differences in incorporation of label into the rabbit cell surface, nor differences in average sIg density explain this result. Total TCA-precipitable radioactivity was similar in each species. Estimation of the relative amounts of sIg in the mouse and rabbit showed similar average sIg densities. Differences in detergent solubility, proteolytic lability, or antisera used also do not adequately account for this difference. Thus, these data indicate that radioactivity incorporated after lactoperoxidase catalyzed cell surface radioiodination may not reflect cell surface Ig density. Conclusions about cell surface density based upon relative incorporation of radioactivity should be confirmed by other approaches
Density-functional calculations of the surface tension of liquid Al and Na
Stroud, D.; Grimson, M. J.
Calculations of the surface tensions of liquid Al and Na are described using the full ionic density functional formalism of Wood and Stroud (1983). Surface tensions are in good agreement with experiment in both cases, with results substantially better for Al than those found previously in the gradient approximation. Preliminary minimization with respect to surface profile leads to an oscillatory profile superimposed on a nearly steplike ionic density disribution; the oscillations have a wavellength of about a hardsphere diameter.
Density functional theory in surface chemistry and catalysis
DEFF Research Database (Denmark)
Nørskov, Jens Kehlet; Abild-Pedersen, Frank; Studt, Felix
Recent advances in the understanding of reactivity trends for chemistry at transition-metal surfaces have enabled in silico design of heterogeneous catalysts in a few cases. The current status of the field is discussed with an emphasis on the role of coupling theory and experiment and future...
An analytical solution to calculate bulk mole fractions for any number of components in aerosol droplets after considering partitioning to a surface layer
Directory of Open Access Journals (Sweden)
D. Topping
Full Text Available Calculating the equilibrium composition of atmospheric aerosol particles, using all variations of Köhler theory, has largely assumed that the total solute concentrations define both the water activity and surface tension. Recently however, bulk to surface phase partitioning has been postulated as a process which significantly alters the predicted point of activation. In this paper, an analytical solution to calculate the removal of material from a bulk to a surface layer in aerosol particles has been derived using a well established and validated surface tension framework. The applicability to an unlimited number of components is possible via reliance on data from each binary system. Whilst assumptions regarding behaviour at the surface layer have been made to facilitate derivation, it is proposed that the framework presented can capture the overall impact of bulk-surface partitioning. Demonstrations of the equations for two and five component mixtures are given while comparisons are made with more detailed frameworks capable at modelling ternary systems at higher levels of complexity. Predictions made by the model across a range of surface active properties should be tested against measurements. Indeed, reccomendations are given for experimental validation and to assess sensitivities to accuracy and required level of complexity within large scale frameworks. Importantly, the computational efficiency of using the solution presented in this paper is roughly a factor of 20 less than a similar iterative approach, a comparison with highly coupled approaches not available beyond a 3 component system.
Large area bulk superconductors
Miller, Dean J.; Field, Michael B.
A bulk superconductor having a thickness of not less than about 100 microns is carried by a polycrystalline textured substrate having misorientation angles at the surface thereof not greater than about 15.degree.; the bulk superconductor may have a thickness of not less than about 100 microns and a surface area of not less than about 50 cm.sup.2. The textured substrate may have a thickness not less than about 10 microns and misorientation angles at the surface thereof not greater than about 15.degree.. Also disclosed is a process of manufacturing the bulk superconductor and the polycrystalline biaxially textured substrate material.
Relationships Between the Bulk-Skin Sea Surface Temperature Difference, Wind, and Net Air-Sea Heat Flux
Emery, William J.; Castro, Sandra L.; Lindstrom, Eric (Technical Monitor)
The primary purpose of this project was to evaluate and improve models for the bulk-skin temperature difference to the point where they could accurately and reliably apply under a wide variety of environmental conditions. To accomplish this goal, work was conducted in three primary areas. These included production of an archive of available data sets containing measurements of the skin and bulk temperatures and associated environmental conditions, evaluation of existing skin layer models using the compiled data archive, and additional theoretical work on the development of an improved model using the data collected under diverse environmental conditions. In this work we set the basis for a new physical model of renewal type, and propose a parameterization for the temperature difference across the cool skin of the ocean in which the effects of thermal buoyancy, wind stress, and microscale breaking are all integrated by means of the appropriate renewal time scales. Ideally, we seek to obtain a model that will accurately apply under a wide variety of environmental conditions. A summary of the work in each of these areas is included in this report. A large amount of work was accomplished under the support of this grant. The grant supported the graduate studies of Sandra Castro and the preparation of her thesis which will be completed later this year. This work led to poster presentations at the 1999 American Geophysical Union Fall Meeting and 2000 IGARSS meeting. Additional work will be presented in a talk at this year's American Meteorological Society Air-Sea Interaction Meeting this May. The grant also supported Sandra Castro during a two week experiment aboard the R/P Flip (led by Dr. Andrew Jessup of the Applied Physics Laboratory) to help obtain additional shared data sets and to provide Sandra with a fundamental understanding of the physical processes needed in the models. In a related area, the funding also partially supported Dr. William Emery and Daniel
Stratified turbulent Bunsen flames: flame surface analysis and flame surface density modelling
Ramaekers, W. J. S.; van Oijen, J. A.; de Goey, L. P. H.
In this paper it is investigated whether the Flame Surface Density (FSD) model, developed for turbulent premixed combustion, is also applicable to stratified flames. Direct Numerical Simulations (DNS) of turbulent stratified Bunsen flames have been carried out, using the Flamelet Generated Manifold (FGM) reduction method for reaction kinetics. Before examining the suitability of the FSD model, flame surfaces are characterized in terms of thickness, curvature and stratification. All flames are in the Thin Reaction Zones regime, and the maximum equivalence ratio range covers 0.1⩽φ⩽1.3. For all flames, local flame thicknesses correspond very well to those observed in stretchless, steady premixed flamelets. Extracted curvature radii and mixing length scales are significantly larger than the flame thickness, implying that the stratified flames all burn in a premixed mode. The remaining challenge is accounting for the large variation in (subfilter) mass burning rate. In this contribution, the FSD model is proven to be applicable for Large Eddy Simulations (LES) of stratified flames for the equivalence ratio range 0.1⩽φ⩽1.3. Subfilter mass burning rate variations are taken into account by a subfilter Probability Density Function (PDF) for the mixture fraction, on which the mass burning rate directly depends. A priori analysis point out that for small stratifications (0.4⩽φ⩽1.0), the replacement of the subfilter PDF (obtained from DNS data) by the corresponding Dirac function is appropriate. Integration of the Dirac function with the mass burning rate m=m(φ), can then adequately model the filtered mass burning rate obtained from filtered DNS data. For a larger stratification (0.1⩽φ⩽1.3), and filter widths up to ten flame thicknesses, a β-function for the subfilter PDF yields substantially better predictions than a Dirac function. Finally, inclusion of a simple algebraic model for the FSD resulted only in small additional deviations from DNS data
Analysis of a Lennard-Jones fcc structure melting to the corresponding frozen liquid: Differences between the bulk and the surface
International Nuclear Information System (INIS)
Olivi-Tran, N.; Faivre, A.
We computed a Lennard-Jones frozen liquid with a free surface using classical molecular dynamics. The structure factor curves on the free surface of this sample were calculated for different depths knowing that we have periodic boundary conditions on the other parts of the sample. The resulting structure factor curves show an horizontal shift of their first peak depending on how deep in the sample the curves are computed. We analyze our resulting curves in the light of spatial correlation functions during melting. The conclusion is that the differences between bulk and surface are quite small during melting and that at the end of melting, only the very surface happens to be less dense than the bulk. This result is intrinsic to the shape of the Lennard-Jones potential and does not depend on any other parameter.
Numerical Calculation of Distribution of Induced Carge Density on Planar Confined Surfaces
International Nuclear Information System (INIS)
Bolotov, V.; Druzhchenko, R.; Karazin, V.; Lominadze, J.; Kharadze, F.
The calculation method of distribution of induced charge density on planar surfaces, including fractal structures of Sierpinski carpet type, is propesed. The calculation scheme is based on the fact that simply connected conducting surface of arbitrary geometry is an equipotential surface. (author)
Surface tension and density of fusible metal melt with sulphur and selenium
International Nuclear Information System (INIS)
Najdich, Yu.V.; Krasovskij, Yu.P.; Chuvashov, Yu.N.
Surface tension and density at 970 K have been determined for melts of Ga, In, Sn and Pb with S and Se. High surface activity of chalcogens in the melts has been found. A maximal adsorption of the active components and their ultimate surface activity that correlate with thermodinamical strength of the corresponding sulfides and selenides have been calculated
Soft electronic structure modulation of surface (thin-film) and bulk (ceramics) morphologies of TiO{sub 2}-host by Pb-implantation: XPS-and-DFT characterization
Energy Technology Data Exchange (ETDEWEB)
Zatsepin, D.A. [M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620990 Yekaterinburg (Russian Federation); Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Boukhvalov, D.W., E-mail: firstname.lastname@example.com [Department of Chemistry, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Theoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, 620002 Yekaterinburg (Russian Federation); Gavrilov, N.V. [Institute of Electrophysics, Russian Academy of Sciences, Ural Branch, 620990 Yekaterinburg (Russian Federation); Zatsepin, A.F. [Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Shur, V.Ya.; Esin, A.A. [Institute of Natural Sciences, Ural Federal University, 51 Lenin Ave, 620000 Yekaterinburg (Russian Federation); Kim, S.S. [School of Materials Science and Engineering, Inha University, Incheon 402-751 (Korea, Republic of); Kurmaev, E.Z. [M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620990 Yekaterinburg (Russian Federation); Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation)
Highlights: • Experiment and theory demonstrate significant difference between patterns of Pb-ion implantation in TiO{sub 2}. • In bulk TiO{sub 2} Pb-impurities leads formation of PbO phase. • On the surface of TiO{sub 2}:Pb occur formation of PbxOy configurations. • In both bulk and surface TiO{sub 2}:Pb occur decreasing of the bandgap by shift of valence band about 1 eV up. - Abstract: The results of combined experimental and theoretical study of substitutional and clustering effects in the structure of Pb-doped TiO{sub 2}-hosts (bulk ceramics and thin-film morphologies) are presented. Pb-doping of the bulk and thin-film titanium dioxide was made with the help of pulsed ion-implantation without posterior tempering (Electronic Structure Modulation Mode). The X-ray photoelectron spectroscopy (XPS) qualification of core-levels and valence bands and Density-Functional Theory (DFT) calculations were employed in order to study the yielded electronic structure of Pb-ion modulated TiO{sub 2} host-matrices. The combined XPS-and-DFT analysis has agreed definitely with the scenario of the implantation stimulated appearance of PbO-like structures in the bulk morphology of TiO{sub 2}:Pb, whereas in thin-film morphology the PbO{sub 2}-like structure becomes dominating, essentially contributing weak O/Pb bonding (Pb{sub x}O{sub y} defect clusters). The crucial role of the oxygen hollow-type vacancies for the process of Pb-impurity "insertion" into the structure of bulk TiO{sub 2} was pointed out employing DFT-based theoretical background. Both experiment and theory established clearly the final electronic structure re-arrangement of the bulk and thin-film morphologies of TiO{sub 2} because of the Pb-modulated deformation and shift of the initial Valence Base-Band Width about 1 eV up.
Surface regulated arsenenes as Dirac materials: From density functional calculations
International Nuclear Information System (INIS)
Yuan, Junhui; Xie, Qingxing; Yu, Niannian; Wang, Jiafu
Highlights: • The presence of Dirac cones in chemically decorated buckled arsenene AsX (X = CN, NC, NCO, NCS, and NCSe) has been revealed. • First-principles calculations show that all these chemically decorated arsenenes are kinetically stable in defending thermal fluctuations in room temperature. - Abstract: Using first principle calculations based on density functional theory (DFT), we have systematically investigated the structure stability and electronic properties of chemically decorated arsenenes, AsX (X = CN, NC, NCO, NCS and NCSe). Phonon dispersion and formation energy analysis reveal that all the five chemically decorated buckled arsenenes are energetically favorable and could be synthesized. Our study shows that wide-bandgap arsenene would turn into Dirac materials when functionalized by -X (X = CN, NC, NCO, NCS and NCSe) groups, rendering new promises in next generation high-performance electronic devices.
Co-current Doping Effect of Nanoscale Carbon and Aluminum Nitride on Critical Current Density and Flux Pinning Properties of Bulk MgB2 Superconductors
Tripathi, D.; Dey, T. K.
The effect of nanoscale aluminum nitride (n-AlN) and carbon (n-C) co-doping on superconducting properties of polycrystalline bulk MgB2 superconductor has been investigated. Polycrystalline pellets of MgB2, MgB2 + 0.5 wt% AlN (nano), MgB_{1.99}C_{0.01} and MgB_{1.99}C_{0.01} + 0.5 wt% AlN (nano) have been synthesized by a solid reaction process under inert atmosphere. The transition temperature (TC) estimated from resistivity measurement indicates only a small decrease for C (nano) and co-doped MgB2 samples. The magnetic field response of investigated samples has been measured at 4, 10, and 20 K in the field range ± 6 T. MgB2 pellets co-doped with 0.5 wt% n-AlN and 1 wt% n-C display appreciable enhancement in critical current density (J_C) of MgB2 in both low (≥ 3 times), as well as, high-field region (≥ 15 times). J_C versus H behavior of both pristine and doped MgB2 pellets is well explained in the light of the collective pinning model. Further, the normalized pinning force density f_p(= F_p/F_{pmax}) displays a fair correspondence with the scaling procedure proposed by Eisterer et al. Moreover, the scaled data of the pinning force density (i.e., f_p{-}h data) of the investigated pellets at different temperature are well interpreted by a modified Dew-Hughes expression reported by Sandu and Chee.
A molecular dynamics investigation of the surface tension of water nanodroplets and a new technique for local pressure determination through density correlation
Leong, Kai-Yang; Wang, Feng
The surface tension of nanoscale droplets of water was studied with molecular dynamics simulations using the BLYPSP-4F water potential. The internal pressure of the droplet was measured using an empirical correlation between the pressure and density, established through a series of bulk simulations performed at pressures from 1 to 1000 bars. Such a procedure allows for reliable determination of internal pressure without the need to calculate the local virial. The surface tension, estimated with the Young-Laplace relation, shows good agreement with the Tolman equation with a Tolman length of -0.48 Å. The interface of a liquid water droplet is shown to be around 1.1-1.3 nm thick depending on radii. The fairly thick interface region puts a lower limit on the size of droplets that still have a bulk-like interior.
Scanning tunnelling microscope imaging of nanoscale electron density gradients on the surface of GaAs
International Nuclear Information System (INIS)
Hamilton, B; Jacobs, J; Missous, M
This paper is concerned with the scanning tunnelling microscope tunnelling conditions needed to produce constant current images dominated either by surface topology or by electronic effects. A model experimental structure was produced by cleaving a GaAs multiδ-doped layer in UHV and so projecting a spatially varying electron gas density onto the (110) surface. This cross sectional electron density varies on a nanometre scale in the [100] growth direction. The electronic structure and tunnelling properties of this system were modelled, and the tunnelling conditions favouring sensitivity to the surface electron gas density determined
Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach
DEFF Research Database (Denmark)
Gavnholt, Jeppe; Rubio, Angel; Olsen, Thomas
Using time-evolution time-dependent density functional theory (TDDFT) within the adiabatic local-density approximation, we study the interactions between single electrons and molecular resonances at surfaces. Our system is a nitrogen molecule adsorbed on a ruthenium surface. The surface is modele...... resonance and the lowering of the resonance energy due to an image charge effect. Finally we apply the TDDFT procedure to only consider the decay of molecular excitations and find that it agrees quite well with the width of the projected density of Kohn-Sham states....
Effect of Polyelectrolyte and Fatty Acid Soap on the Formation of CaCO3 in the Bulk and the Deposit on Hard Surfaces.
Wang, Hao; Alfredsson, Viveka; Tropsch, Juergen; Ettl, Roland; Nylander, Tommy
The effects of sodium polyacrylate (NaPAA) as well as potassium oleate on the nucleation and calcium carbonate crystal growth on hard surfaces, i.e., stainless steel and silica, have been investigated at different temperatures. The relation between the surface deposition and the corresponding bulk processes has been revealed by combining dynamic light scattering (DLS), scanning electron microscopy (SEM), X-ray diffraction (XRD), and ellipsometry. The aim was to further our understanding of the crystal deposition/growth mechanism and how it can be controlled by the presence of polyelectrolytes (NaPAA) or soap (potassium oleate). The addition of polyelectrolytes (NaPAA) or soap (potassium oleate) decreases the size of CaCO3 particles in bulk solution and affects both crystal structure and morphology in the bulk as well as on hard surfaces. The amount of particles on hard surfaces decreases significantly in the presence of both potassium oleate and NaPAA. This was found to be a consequence of potassium oleate or NaPAA adsorption on the hard surface as well as on the CaCO3 crystal surfaces. Here, the polymer NaPAA exhibited a stronger inhibition effect on the formation and growth of CaCO3 particles than potassium oleate.
Surface density profile and surface tension of the one-component classical plasma
International Nuclear Information System (INIS)
Ballone, P.; Senatore, G.; Trieste Univ.; Tosi, M.P.; Oxford Univ.
The density profile and the interfacial tension of two classical plasmas in equilibrium at different densities are evaluated in the square-density-gradient approximation. For equilibrium in the absence of applied external voltage, the profile is oscillatory in the higher-density plasma and the interfacial tension is positive. The amplitude and phase of these oscillations and the magnitude of the interfacial tension are related to the width of the background profile. Approximate representations of the equilibrium profile by matching of its asymptotic forms are analyzed. A comparison with computer simulation data and a critical discussion of a local-density theory are also presented. (author)
Investigation of the oxygen exchange mechanism on Pt|yttria stabilized zirconia at intermediate temperatures: Surface path versus bulk path
International Nuclear Information System (INIS)
Opitz, Alexander K.; Lutz, Alexander; Kubicek, Markus; Kubel, Frank; Hutter, Herbert; Fleig, Juergen
Highlights: → Oxygen exchange kinetics of Pt on YSZ investigated by means of Pt model electrodes. → Two different geometry dependencies of the polarization resistance identified. → At higher temperatures the oxygen exchange reaction proceeds via a Pt surface path. → At lower temperatures a bulk path through the Pt thin film electrode is discussed. - Abstract: The oxygen exchange kinetics of platinum on yttria-stabilized zirconia (YSZ) was investigated by means of geometrically well-defined Pt microelectrodes. By variation of electrode size and temperature it was possible to separate two temperature regimes with different geometry dependencies of the polarization resistance. At higher temperatures (550-700 deg. C) an elementary step located close to the three phase boundary (TPB) with an activation energy of ∼1.6 eV was identified as rate limiting. At lower temperatures (300-400 deg. C) the rate limiting elementary step is related to the electrode area and exhibited a very low activation energy in the order of 0.2 eV. From these observations two parallel pathways for electrochemical oxygen exchange are concluded. The nature of these two elementary steps is discussed in terms of equivalent circuits. Two combinations of parallel rate limiting reaction steps are found to explain the observed geometry dependencies: (i) Diffusion through an impurity phase at the TPB in parallel to diffusion of oxygen through platinum - most likely along Pt grain boundaries - as area-related process. (ii) Co-limitation of oxygen diffusion along the Pt|YSZ interface and charge transfer at the interface with a short decay length of the corresponding transmission line (as TPB-related process) in parallel to oxygen diffusion through platinum.
Influence of surface conditions in nucleate boiling--the concept of bubble flux density
International Nuclear Information System (INIS)
Shoukri, M.; Judd, R.L.
A study of the influence of surface conditions in nucleate pool boiling is presented. The surface conditions are represented by the number and distribution of the active nucleation sites as well as the size and size distribution of the cavities that constitute the nucleation sites. The heat transfer rate during nucleate boiling is shown to be influenced by the surface condition through its effect on the number and distribution of the active nucleation sites as well as the frequency of bubble departure from each of these different size cavities. The concept of bubble flux density, which is a function of both the active site density and frequency of bubble departure, is introduced. A method of evaluating the bubble flux density is proposed and a uniform correlation between the boiling heat flux and the bubble flux density is found to exist for a particular solid-liquid combination irrespective of the surface finish within the region of isolated bubbles
Surface Snow Density of East Antarctica Derived from In-Situ Observations
Tian, Y.; Zhang, S.; Du, W.; Chen, J.; Xie, H.; Tong, X.; Li, R.
Models based on physical principles or semi-empirical parameterizations have used to compute the firn density, which is essential for the study of surface processes in the Antarctic ice sheet. However, parameterization of surface snow density is often challenged by the description of detailed local characterization. In this study we propose to generate a surface density map for East Antarctica from all the filed observations that are available. Considering that the observations are non-uniformly distributed around East Antarctica, obtained by different methods, and temporally inhomogeneous, the field observations are used to establish an initial density map with a grid size of 30 × 30 km2 in which the observations are averaged at a temporal scale of five years. We then construct an observation matrix with its columns as the map grids and rows as the temporal scale. If a site has an unknown density value for a period, we will set it to 0 in the matrix. In order to construct the main spatial and temple information of surface snow density matrix we adopt Empirical Orthogonal Function (EOF) method to decompose the observation matrix and only take first several lower-order modes, because these modes already contain most information of the observation matrix. However, there are a lot of zeros in the matrix and we solve it by using matrix completion algorithm, and then we derive the time series of surface snow density at each observation site. Finally, we can obtain the surface snow density by multiplying the modes interpolated by kriging with the corresponding amplitude of the modes. Comparative analysis have done between our surface snow density map and model results. The above details will be introduced in the paper.
Optical and terahertz measurement techniques for flat-faced pharmaceutical tablets: a case study of gloss, surface roughness and bulk properties of starch acetate tablets
International Nuclear Information System (INIS)
Juuti, M; Tuononen, H; Kontturi, V; Peiponen, K-E; Prykäri, T; Alarousu, E; Myllylä, R; Kuosmanen, M; Ketolainen, J
Surface and bulk properties of flat-faced starch acetate tablets were studied. For surface quality inspection optical coherence tomography and recently developed diffractive glossmeter were utilized. Both these optical devices together provide local information on surface roughness and gloss of a tablet over a measured area. The concepts of mean topography and mean gloss profile for surface quality of a tablet are introduced. It was observed that the surface quality of the tablet varies, and compression at high pressure may not guarantee a good surface quality of the tablet. Using novel statistical parameters for gloss and relevant surface roughness parameter, it is possible to get more comprehensive quantitative data on the surface condition of a tablet. THz spectrometer was utilized for detection of THz pulse delay in transmission measurement mode from the tablets. The delay time and thickness ratio of the tablet are consistent with the porosity of the tablet as a function of compression pressure. We suggest that the multimeasurement scheme using three different devices helps tablet makers to better assess bulk and surface quality of their products
Simulating measures of wood density through the surface by Compton scattering
International Nuclear Information System (INIS)
Penna, Rodrigo; Oliveira, Arno H.; Braga, Mario R.M.S.S.; Vasconcelos, Danilo C.; Carneiro, Clemente J.G.; Penna, Ariane G.C.
Monte Carlo code (MCNP-4C) was used to simulate a nuclear densimeter for measuring wood densities nondestructively. An Americium source (E = 60 keV) and a NaI (Tl) detector were placed on a wood block surface. Results from MCNP shown that scattered photon fluxes may be used to determining wood densities. Linear regressions between scattered photons fluxes and wood density were calculated and shown correlation coefficients near unity. (author)
Understanding the Effect of Atmospheric Density on the Cosmic Ray Flux Variations at the Earth Surface
Dayananda, Mathes; Zhang, Xiaohang; Butler, Carola; He, Xiaochun
We report in this letter for the first time the numerical simulations of muon and neutron flux variations at the surface of the earth with varying air densities in the troposphere and stratosphere. The simulated neutron and muon flux variations are in very good agreement with the measured neutron flux variation in Oulu and the muon flux variation in Atlanta. We conclude from this study that the stratosphere air density variation dominates the effects on the muon flux changes while the density...
International Nuclear Information System (INIS)
González-Lópezlira, Rosa A.; Pflamm-Altenburg, Jan; Kroupa, Pavel
We analyze the relationship between maximum cluster mass and surface densities of total gas (Σ gas ), molecular gas (Σ H 2 ), neutral gas (Σ H I ), and star formation rate (Σ SFR ) in the grand-design galaxy M51, using published gas data and a catalog of masses, ages, and reddenings of more than 1800 star clusters in its disk, of which 223 are above the cluster mass distribution function completeness limit. By comparing the two-dimensional distribution of cluster masses and gas surface densities, we find for clusters older than 25 Myr that M 3rd ∝Σ H I 0.4±0.2 , whereM 3rd is the median of the five most massive clusters. There is no correlation withΣ gas ,Σ H2 , orΣ SFR . For clusters younger than 10 Myr, M 3rd ∝Σ H I 0.6±0.1 and M 3rd ∝Σ gas 0.5±0.2 ; there is no correlation with either Σ H 2 orΣ SFR . The results could hardly be more different from those found for clusters younger than 25 Myr in M33. For the flocculent galaxy M33, there is no correlation between maximum cluster mass and neutral gas, but we have determined M 3rd ∝Σ gas 3.8±0.3 , M 3rd ∝Σ H 2 1.2±0.1 , and M 3rd ∝Σ SFR 0.9±0.1 . For the older sample in M51, the lack of tight correlations is probably due to the combination of strong azimuthal variations in the surface densities of gas and star formation rate, and the cluster ages. These two facts mean that neither the azimuthal average of the surface densities at a given radius nor the surface densities at the present-day location of a stellar cluster represent the true surface densities at the place and time of cluster formation. In the case of the younger sample, even if the clusters have not yet traveled too far from their birth sites, the poor resolution of the radio data compared to the physical sizes of the clusters results in measuredΣ that are likely quite diluted compared to the actual densities relevant for the formation of the clusters.
Predicting available water of soil from particle-size distribution and bulk density in an oasis-desert transect in northwestern China
Li, Danfeng; Gao, Guangyao; Shao, Ming'an; Fu, Bojie
A detailed understanding of soil hydraulic properties, particularly the available water content of soil, (AW, cm3 cm-3), is required for optimal water management. Direct measurement of soil hydraulic properties is impractical for large scale application, but routinely available soil particle-size distribution (PSD) and bulk density can be used as proxies to develop various prediction functions. In this study, we compared the performance of the Arya and Paris (AP) model, Mohammadi and Vanclooster (MV) model, Arya and Heitman (AH) model, and Rosetta program in predicting the soil water characteristic curve (SWCC) at 34 points with experimental SWCC data in an oasis-desert transect (20 × 5 km) in the middle reaches of the Heihe River basin, northwestern China. The idea of the three models emerges from the similarity of the shapes of the PSD and SWCC. The AP model, MV model, and Rosetta program performed better in predicting the SWCC than the AH model. The AW determined from the SWCCs predicted by the MV model agreed better with the experimental values than those derived from the AP model and Rosetta program. The fine-textured soils were characterized by higher AW values, while the sandy soils had lower AW values. The MV model has the advantages of having robust physical basis, being independent of database-related parameters, and involving subclasses of texture data. These features make it promising in predicting soil water retention at regional scales, serving for the application of hydrological models and the optimization of soil water management.
Effects of graphite doping on critical current density and microstructure of MgB2 bulks by an improved Mg-diffusion method
International Nuclear Information System (INIS)
Pan, X.F.; Zhao, Y.; Feng, Y.; Yang, Y.; Cheng, C.H.
abstract: A series of graphite-doped MgB 2 bulks with high density have been successfully prepared by an improved Mg-diffusion method in ambient pressure. The effects of graphite doping on lattice parameters, T c , J c and microstructure of MgB 2 have been investigated. The results show that compared to the nano-C-doped or CNTs-doped MgB 2 , C is not easy to substitute B in graphite-doped MgB 2 . However, at the same C content, the graphite-doped MgB 2 has a higher J c . At 10 K and self-field, the J c for MgB 1.985 C 0.015 reaches 0.58 MA/cm 2 . For the MgB 1.945 C 0.055 , at 5 K, 7 T and 10 K, 6 T the J c achieves 10,000 A/cm 2 which is two orders of magnitude higher than that for the undoped sample. In addition to improving electron scattering and intergranular connectivity, the unreacted graphite in the graphite-doped MgB 2 is proposed to be responsible to the excellent J c properties of MgB 2 in high fields, due to depressed grain growth and enhanced grain boundary flux pinning
Laboratory Performance of Five Selected Soil Moisture Sensors Applying Factory and Own Calibration Equations for Two Soil Media of Different Bulk Density and Salinity Levels
Matula, Svatopluk; Báťková, Kamila; Legese, Wossenu Lemma
Non-destructive soil water content determination is a fundamental component for many agricultural and environmental applications. The accuracy and costs of the sensors define the measurement scheme and the ability to fit the natural heterogeneous conditions. The aim of this study was to evaluate five commercially available and relatively cheap sensors usually grouped with impedance and FDR sensors. ThetaProbe ML2x (impedance) and ECH2O EC-10, ECH2O EC-20, ECH2O EC-5, and ECH2O TE (all FDR) were tested on silica sand and loess of defined characteristics under controlled laboratory conditions. The calibrations were carried out in nine consecutive soil water contents from dry to saturated conditions (pure water and saline water). The gravimetric method was used as a reference method for the statistical evaluation (ANOVA with significance level 0.05). Generally, the results showed that our own calibrations led to more accurate soil moisture estimates. Variance component analysis arranged the factors contributing to the total variation as follows: calibration (contributed 42%), sensor type (contributed 29%), material (contributed 18%), and dry bulk density (contributed 11%). All the tested sensors performed very well within the whole range of water content, especially the sensors ECH2O EC-5 and ECH2O TE, which also performed surprisingly well in saline conditions. PMID:27854263
The effect of inter-granular constraints on the response of polycrystalline piezoelectric ceramics at the surface and in the bulk
Hossain, Mohammad J.; Wang, Zhiyang; Khansur, Neamul H.; Kimpton, Justin A.; Oddershede, Jette; Daniels, John E.
The electro-mechanical coupling mechanisms in polycrystalline ferroelectric materials, including a soft PbZrxTi1-xO3 (PZT) and lead-free 0.9375(Bi1/2Na1/2)TiO3-0.0625BaTiO3 (BNT-6.25BT), have been studied using a surface sensitive low-energy (12.4 keV) and bulk sensitive high-energy (73 keV) synchrotron X-ray diffraction with in situ electric fields. The results show that for tetragonal PZT at a maximum electric field of 2.8 kV/mm, the electric-field-induced lattice strain (ɛ111) is 20% higher at the surface than in the bulk, and non-180° ferroelectric domain texture (as indicated by the intensity ratio I002/I200) is 16% higher at the surface. In the case of BNT-6.25BT, which is pseudo-cubic up to fields of 2 kV/mm, lattice strains, ɛ111 and ɛ200, are 15% and 20% higher at the surface, while in the mixed tetragonal and rhombohedral phases at 5 kV/mm, the domain texture indicated by the intensity ratio, I 111 / I 11 1 ¯ and I002/I200, are 12% and 10% higher at the surface than in the bulk, respectively. The observed difference in the strain contributions between the surface and bulk is suggested to result from the fact that surface grains are not constrained in three dimensions, and consequently, domain reorientation and lattice expansion in surface grains are promoted. It is suggested that the magnitude of property difference between the surface and bulk is higher for the PZT than for BNT-6.25BT due to the level of anisotropy in the strain mechanism. The comparison of the results from different methods demonstrates that the intergranular constraints have a significant influence on the electric-field-induced electro-mechanical responses in polycrystalline ferroelectrics. These results have implications for the design of higher performance polycrystalline piezoelectrics.
Surface and bulk electronic structures of unintentionally and Mg-doped In0.7Ga0.3N epilayer by hard X-ray photoelectron spectroscopy
Imura, Masataka; Tsuda, Shunsuke; Takeda, Hiroyuki; Nagata, Takahiro; Banal, Ryan G.; Yoshikawa, Hideki; Yang, AnLi; Yamashita, Yoshiyuki; Kobayashi, Keisuke; Koide, Yasuo; Yamaguchi, Tomohiro; Kaneko, Masamitsu; Uematsu, Nao; Wang, Ke; Araki, Tsutomu; Nanishi, Yasushi
The surface and bulk electronic structures of In0.7Ga0.3N epilayers are investigated by angle-resolved hard X-ray photoelectron spectroscopy (HX-PES) combined with soft X-PES. The unintentionally and Mg-doped In0.7Ga0.3N (u-In0.7Ga0.3N and In0.7Ga0.3N:Mg, respectively) epilayers are grown by radio-frequency plasma-assisted molecular beam epitaxy. Here three samples with different Mg concentrations ([Mg] = 0, 7 × 1019, and 4 × 1020 cm-3) are chosen for comparison. It is found that a large downward energy band bending exists in all samples due to the formation of a surface electron accumulation (SEA) layer. For u-In0.7Ga0.3N epilayer, band bending as large as 0.8 ± 0.05 eV occurs from bulk to surface. Judged from the valence band spectral edge and numerical analysis of energy band with a surface quantum well, the valence band maximum (VBM) with respect to Fermi energy (EF) level in the bulk is determined to be 1.22 ± 0.05 eV. In contrast, for In0.7Ga0.3N:Mg epilayers, the band bending increases and the VBM only in the bulk tends to shift toward the EF level owing to the Mg acceptor doping. Hence, the energy band is considered to exhibit a downward bending structure due to the coexistence of the n+ SEA layer and Mg-doped p layer formed in the bulk. When [Mg] changes from 7 × 1019 to 4 × 1020 cm-3, the peak split occurs in HX-PES spectra under the bulk sensitive condition. This result indicates that the energy band forms an anomalous downward bending structure with a singular point due to the generation of a thin depleted region at the n+ p interface. For In0.7Ga0.3N:Mg epilayers, the VBM in the bulk is assumed to be slightly lower than EF level within 0.1 eV.
Correlations Between Magnetic Flux and Levitation Force of HTS Bulk Above a Permanent Magnet Guideway
Huang, Huan; Zheng, Jun; Zheng, Botian; Qian, Nan; Li, Haitao; Li, Jipeng; Deng, Zigang
In order to clarify the correlations between magnetic flux and levitation force of the high-temperature superconducting (HTS) bulk, we measured the magnetic flux density on bottom and top surfaces of a bulk superconductor while vertically moving above a permanent magnet guideway (PMG). The levitation force of the bulk superconductor was measured simultaneously. In this study, the HTS bulk was moved down and up for three times between field-cooling position and working position above the PMG, followed by a relaxation measurement of 300 s at the minimum height position. During the whole processes, the magnetic flux density and levitation force of the bulk superconductor were recorded and collected by a multipoint magnetic field measurement platform and a self-developed maglev measurement system, respectively. The magnetic flux density on the bottom surface reflected the induced field in the superconductor bulk, while on the top, it reveals the penetrated magnetic flux. The results show that the magnetic flux density and levitation force of the bulk superconductor are in direct correlation from the viewpoint of inner supercurrent. In general, this work is instructive for understanding the connection of the magnetic flux density, the inner current density and the levitation behavior of HTS bulk employed in a maglev system. Meanwhile, this magnetic flux density measurement method has enriched present experimental evaluation methods of maglev system.
The influence of the bulk reduction state on the surface structure and morphology of rutile TiO{sub 2}(110) single crystals
Energy Technology Data Exchange (ETDEWEB)
Li, M.; Hebenstreit, W.; Diebold, U.; Tyryshkin, A.M.; Bowman, M.K.; Dunham, G.G.; Henderson, M.A.
The authors have investigated the relationship between different types and amounts of bulk defects and the surface morphology of TiO{sub 2}(110) single crystals prepared by annealing in ultrahigh vacuum and in oxygen. Rutile TiO{sub 2}(110) specimens were cut from the same crystal and were heated in a furnace to different temperatures which resulted in different states of reduction (colors of the crystals). After characterization of the bulk defects with electron paramagnetic resonance (EPR), the specimens were studied with scanning tunneling microscopy (STM), low-energy He{sup +} ion scattering (LEIS), and work function measurements. EPR reveals that darker rutile crystals exhibit higher concentrations of extended Ti{sup 3+} related bulk defects such as crystallographic shear planes (CSP), with a decrease in substitutional and interstitial defects as compared to lighter crystals. Surface structures with (1 x 2) features are preferably formed upon UHV annealing on these darker crystals. LEIS measurements show that all of the crystals' (110) surfaces are reoxidized upon annealing in {sup 18}O{sub 2} (573 K, 1 x 10{sup {minus}6} mbar, 10 min) and that the {sup 18}O surface content is proportional to the bulk reduction state. UV-visible adsorption spectra and resistivity measurements also scale with the reduction states of crystals. Only the (1 x 1) structure is observed on the surface of slightly reduced crystals. Annealing in oxygen induces additional metastable structures, i.e., TiO{sub 2} clusters on blue crystals and rosette networks on dark blue crystals.
Distinct effects of Cr bulk doping and surface deposition on the chemical environment and electronic structure of the topological insulator Bi{sub 2}Se{sub 3}
Energy Technology Data Exchange (ETDEWEB)
Yilmaz, Turgut, E-mail: firstname.lastname@example.com [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States); Hines, William [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States); Sun, Fu-Chang [Department of Materials Science and Engineering, University of Connecticut, Storrs, CT 06269 (United States); Pletikosić, Ivo [Department of Physics, Princeton University, Princeton, NJ 08544 (United States); Budnick, Joseph [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States); Valla, Tonica [Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Sinkovic, Boris [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States)
Highlights: • Cr doping into the bulk of Bi{sub 2}Se{sub 3} opens an energy gap at the Dirac point which is observable in the non-magnetic state. • Cr surface deposition does not lead to open an energy gap at the Dirac point of Bi{sub 2}Se{sub 3}. • Formation of two distinct Bi and Cr core level peaks was observed upon the deposition of Cr on the surface of Bi{sub 2}Se{sub 3}. - Abstract: In this report, it is shown that Cr doped into the bulk and Cr deposited on the surface of Bi{sub 2}Se{sub 3} films produced by molecular beam epitaxy (MBE) have strikingly different effects on both the electronic structure and chemical environment. Angle resolved photoemission spectroscopy (ARPES) shows that Cr doped into the bulk opens a surface state energy gap which can be seen at room temperature; much higher than the measured ferromagnetic transition temperature of ≈10 K. On the other hand, similar ARPES measurements show that the surface states remain gapless down to 15 K for films with Cr surface deposition. In addition, core-level photoemission spectroscopy of the Bi 5d, Se 3d, and Cr 3p core levels show distinct differences in the chemical environment for the two methods of Cr introduction. Surface deposition of Cr results in the formation of shoulders on the lower binding energy side for the Bi 5d peaks and two distinct Cr 3p peaks indicative of two Cr sites. These striking differences suggests an interesting possibility that better control of doping at only near surface region may offer a path to quantum anomalous Hall states at higher temperatures than reported in the literature.
Electron density in reasonably real metallic surfaces, including interchange and correlation effects
International Nuclear Information System (INIS)
Moraga, L.A.; Martinez, G.
By means of a new method, the electron density in a jellium surface is calculated taking in account interchange and correlation effects; reproducing, in this way, the Lang and Kohn results. The new method is self-consistent but not iterative and hence is possible extend it to the solution of the same problem in more reasonably real metallic surfaces. (L.C.) [pt
Charge Dynamics in near-Surface, Variable-Density Ensembles of Nitrogen-Vacancy Centers in Diamond.
Dhomkar, Siddharth; Jayakumar, Harishankar; Zangara, Pablo R; Meriles, Carlos A
Although the spin properties of superficial shallow nitrogen-vacancy (NV) centers have been the subject of extensive scrutiny, considerably less attention has been devoted to studying the dynamics of NV charge conversion near the diamond surface. Using multicolor confocal microscopy, here we show that near-surface point defects arising from high-density ion implantation dramatically increase the ionization and recombination rates of shallow NVs compared to those in bulk diamond. Further, we find that these rates grow linearly, not quadratically, with laser intensity, indicative of single-photon processes enabled by NV state mixing with other defect states. Accompanying these findings, we observe NV ionization and recombination in the dark, likely the result of charge transfer to neighboring traps. Despite the altered charge dynamics, we show that one can imprint rewritable, long-lasting patterns of charged-initialized, near-surface NVs over large areas, an ability that could be exploited for electrochemical biosensing or to optically store digital data sets with subdiffraction resolution.
Response of the Shockley surface state on Cu(111) to an external electrical field: A density-functional theory study
Berland, Kristian; Hyldgaard, Per; Einstein, T. L.
We study the response of the Cu(111) Shockley surface state to an external electrical field E by combining a density-functional theory calculation for a finite slab geometry with an analysis of the Kohn-Sham wavefunctions to obtain a well-converged characterization. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We find that the shift in band minimum and effective mass depend linearly on E. Most change in electrostatic potential profile, and charge transfer occurs outside the outermost copper atoms, and most of the screening is due to bulk electrons. Our analysis is facilitated by a method used to decouple the Kohn-Sham states due to the finite slab geometry, using a rotation in Hilbert space. We discuss applications to tuning the Fermi wavelength and so the many patterns attributed to metallic surface states. Supported by (KB and PH) Swedish Vetenskapsrådet VR 621-2008-4346 and (TLE) NSF CHE 07-50334 & UMD MRSEC DMR 05-20471.
Influence of additive laser manufacturing parameters on surface using density of partially melted particles
Rosa, Benoit; Brient, Antoine; Samper, Serge; Hascoët, Jean-Yves
Mastering the additive laser manufacturing surface is a real challenge and would allow functional surfaces to be obtained without finishing. Direct Metal Deposition (DMD) surfaces are composed by directional and chaotic textures that are directly linked to the process principles. The aim of this work is to obtain surface topographies by mastering the operating process parameters. Based on experimental investigation, the influence of operating parameters on the surface finish has been modeled. Topography parameters and multi-scale analysis have been used in order to characterize the DMD obtained surfaces. This study also proposes a methodology to characterize DMD chaotic texture through topography filtering and 3D image treatment. In parallel, a new parameter is proposed: density of particles (D p). Finally, this study proposes a regression modeling between process parameters and density of particles parameter.
Influence of Microstructure and Process Conditions on Simultaneous Low-Temperature Surface Hardening and Bulk Precipitation Hardening of Nanoflex®
DEFF Research Database (Denmark)
Bottoli, Federico; Winther, Grethe; Christiansen, Thomas L.
Precipitation hardening martensitic stainless steel Nanoflex was low-temperature nitrided or nitrocarburized. In these treatments, simultaneous hardening of the bulk, by precipitation hardening, and the surface by dissolving nitrogen/carbon can be obtained because the treatment temperatures...... and times for these essentially different hardening mechanisms are compatible. The effect of the processing history of the steel on the nitrided/nitrocarburized case was investigated by varying the amounts of austenite and martensite through variation of the degree of plastic deformation by tensile strain...... consisting of martensite results in the deepest nitrided case, while a shallow case develops on a microstructure consisting of austenite. For an initial microstructure consisting of both martensite and austenite a non-uniform case depth is achieved. Simultaneous bulk and surface hardening is only possible...
Self-consistent density functional calculation of the image potential at a metal surface
International Nuclear Information System (INIS)
Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P
It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description
Simulation of flame surface density and burning rate of a premixed turbulent flame using contour advection
Energy Technology Data Exchange (ETDEWEB)
Tang, B.H.Y.; Chan, C.K. [Department of Applied Mathematics, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong)
In this paper, a 2-dimensional rod-stabilized V-shaped flame is simulated using contour advection with surgery as well as the random vortex method. Effects of turbulence on various quantities, such as flame brush thickness and flame surface density, are investigated. The flame surface density S is estimated using the Bray-Moss-Libby formulation, which involves the use of a mean orientation factor {sigma}{sub c}. As a comparison, values of S are also obtained using Shepherd's model, which employs the values of mean flame surface area and mean flame length. Local flame structure is characterized in terms of turbulent flame brush, orientation factor, and flame surface density. Profiles of S obtained using the two different models are compared and show that discrepancy is more evident with increasing turbulence intensity. (author)
Self-consistent density functional calculation of the image potential at a metal surface
Energy Technology Data Exchange (ETDEWEB)
Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)
It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.
Temperature-dependent surface density of alkylthiol monolayers on gold nanocrystals
Liu, Xuepeng; Lu, Pin; Zhai, Hua; Wu, Yucheng
Atomistic molecular dynamics (MD) simulations are performed to study the surface density of passivating monolayers of alkylthiol chains on gold nanocrystals at temperatures ranging from 1 to 800 K. The results show that the surface density of alkylthiol monolayer reaches a maximum value at near room temperature (200-300 K), while significantly decreases with increasing temperature in the higher temperature region (> 300 {{K}}), and slightly decreases with decreasing temperature at low temperature (< 200 {{K}}). We find that the temperature dependence of surface ligand density in the higher temperature region is attributed to the substantial ligand desorption induced by the thermal fluctuation, while that at low temperature results from the reduction in entropy caused by the change in the ordering of passivating monolayer. These results are expected helpful to understand the temperature-dependent surface coverage of gold nanocrystals.
Simulation of global oceanic upper layers forced at the surface by an optimal bulk formulation derived from multi-campaign measurements.
Garric, G.; Pirani, A.; Belamari, S.; Caniaux, G.
order to improve the air/sea interface for the future MERCATOR global ocean operational system, we have implemented the new bulk formulation developed by METEO-FRANCE (French Meteo office) in the MERCATOR 2 degree global ocean-ice coupled model (ORCA2/LIM). A single bulk formulation for the drag, temperature and moisture exchange coefficients is derived from an extended consistent database gathering 10 years of measurements issued from five experiments dedicated to air-sea fluxes estimates (SEMAPHORE, CATCH, FETCH, EQUALANT99 and POMME) in various oceanic basins (from Northern to equatorial Atlantic). The available database (ALBATROS) cover the widest range of atmospheric and oceanic conditions, from very light (0.3 m/s) to very strong (up to 29 m/s) wind speeds, and from unstable to extremely stable atmospheric boundary layer stratification. We have defined a work strategy to test this new formulation in a global oceanic context, by using this multi- campaign bulk formulation to derive air-sea fluxes from base meteorological variables produces by the ECMWF (European Centre for Medium Range and Weather Forecast) atmospheric forecast model, in order to get surface boundary conditions for ORCA2/LIM. The simulated oceanic upper layers forced at the surface by the previous air/sea interface are compared to those forced by the optimal bulk formulation. Consecutively with generally weaker transfer coefficient, the latter formulation reduces the cold bias in the equatorial Pacific and increases the too weak summer sea ice extent in Antarctica. Compared to a recent mixed layer depth (MLD) climatology, the optimal bulk formulation reduces also the too deep simulated MLDs. Comparison with in situ temperature and salinity profiles in different areas allowed us to evaluate the impact of changing the air/sea interface in the vertical structure.
Determining the spatial variability of wetland soil bulk density, organic matter, and the conversion factor between organic matter and organic carbon across coastal Louisiana, U.S.A.
Wang, Hongqing; Piazza, Sarai C.; Sharp, Leigh A.; Stagg, Camille L.; Couvillion, Brady R.; Steyer, Gregory D.; McGinnis, Thomas E.
Soil bulk density (BD), soil organic matter (SOM) content, and a conversion factor between SOM and soil organic carbon (SOC) are often used in estimating SOC sequestration and storage. Spatial variability in BD, SOM, and the SOM–SOC conversion factor affects the ability to accurately estimate SOC sequestration, storage, and the benefits (e.g., land building area and vertical accretion) associated with wetland restoration efforts, such as marsh creation and sediment diversions. There are, however, only a few studies that have examined large-scale spatial variability in BD, SOM, and SOM–SOC conversion factors in coastal wetlands. In this study, soil cores, distributed across the entire coastal Louisiana (approximately 14,667 km2) were used to examine the regional-scale spatial variability in BD, SOM, and the SOM–SOC conversion factor. Soil cores for BD and SOM analyses were collected during 2006–09 from 331 spatially well-distributed sites in the Coastwide Reference Monitoring System network. Soil cores for the SOM–SOC conversion factor analysis were collected from 15 sites across coastal Louisiana during 2006–07. Results of a split-plot analysis of variance with incomplete block design indicated that BD and SOM varied significantly at a landscape level, defined by both hydrologic basins and vegetation types. Vertically, BD and SOM varied significantly among different vegetation types. The SOM–SOC conversion factor also varied significantly at the landscape level. This study provides critical information for the assessment of the role of coastal wetlands in large regional carbon budgets and the estimation of carbon credits from coastal restoration.
Effects of graphite doping on critical current density and microstructure of MgB{sub 2} bulks by an improved Mg-diffusion method
Energy Technology Data Exchange (ETDEWEB)
Pan, X.F. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Zhao, Y. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia)], E-mail: firstname.lastname@example.com; Feng, Y. [Northwest Institute for Nonferrous Metal Research, P.O. Box 51, Xi' an, Shaanxi 710016 (China); Western Superconductivity Technology Company, Xi' an (China); Yang, Y. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Cheng, C.H. [Key Laboratory of Magnetic Levitation and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney 2052, NSW (Australia)
abstract: A series of graphite-doped MgB{sub 2} bulks with high density have been successfully prepared by an improved Mg-diffusion method in ambient pressure. The effects of graphite doping on lattice parameters, T{sub c}, J{sub c} and microstructure of MgB{sub 2} have been investigated. The results show that compared to the nano-C-doped or CNTs-doped MgB{sub 2}, C is not easy to substitute B in graphite-doped MgB{sub 2}. However, at the same C content, the graphite-doped MgB{sub 2} has a higher J{sub c}. At 10 K and self-field, the J{sub c} for MgB{sub 1.985}C{sub 0.015} reaches 0.58 MA/cm{sup 2}. For the MgB{sub 1.945}C{sub 0.055}, at 5 K, 7 T and 10 K, 6 T the J{sub c} achieves 10,000 A/cm{sup 2} which is two orders of magnitude higher than that for the undoped sample. In addition to improving electron scattering and intergranular connectivity, the unreacted graphite in the graphite-doped MgB{sub 2} is proposed to be responsible to the excellent J{sub c} properties of MgB{sub 2} in high fields, due to depressed grain growth and enhanced grain boundary flux pinning.
Adsorption and combing of DNA on HOPG surfaces of bulk crystals and nanosheets: application to the bridging of DNA between HOPG/Si heterostructures
International Nuclear Information System (INIS)
Rose, F; Martin, P; Fujita, H; Kawakatsu, H
Controlled and reproducible combing of λ-phage DNA molecules can be realized in predetermined orientations on highly oriented pyrolitic graphite (HOPG) surfaces. Observations by atomic force microscopy (AFM) show that DNA adsorption onto HOPG surfaces leads to different hierarchical organizations such as balls, networks, films, and fractal structures. HOPG nanosheets (3.5-100 nm thick) were created by simply rubbing a HOPG crystal onto a silicon oxide surface, and then patterned with a focused ion beam (FIB) to fabricate HOPG/Si heterostructures (arrays of silicon micropillars and microtracks decorated on their top surface with HOPG nanosheets). The surface reactivity of HOPG nanosheets toward DNA is found to be the same as of HOPG bulk crystals. Finally, combing is used to attach and suspend bundles of approximately 20-50 DNA molecules between HOPG/Si heterostructures
Density Functional Theory Calculations Revealing Metal-like Band Structures for Ultrathin Ge {111} and {211} Surface Layers.
Tan, Chih-Shan; Huang, Michael Hsuan-Yi
To find out if germanium should also possess facet-dependent electrical conductivity properties, surface state density functional theory (DFT) calculations were performed on 1-6 layers of Ge (100), (110), (111), and (211) planes. Tunable Ge (100) and (110) planes always present the same semiconducting band structure with a band gap of 0.67 eV expected of bulk germanium. In contrast, 1, 2, 4, and 5 layers of Ge (111) and (211) plane models show metal-like band structures with continuous density of states (DOS) throughout the entire band. For 3 and 6 layers of Ge (111) and (211) plane models, the normal semiconducting band structure was obtained. The plane layers with metal-like band structures also show Ge-Ge bond length deviations and bond distortions, as well as significantly different 4s and 4p frontier orbital electron count and their relative percentages integrated over the valence and conduction bands from those of the semiconducting state. These differences should contribute to strikingly dissimilar band structures. The calculation results suggest observation of facet-dependent electrical conductivity properties of germanium materials, and transistors made of germanium may also need to consider the facet effects with shrinking dimensions approaching 3 nm. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory
Jensen, Kevin L.; Finkenstadt, Daniel; Shabaev, Andrew; Lambrakos, Samuel G.; Moody, Nathan A.; Petillo, John J.; Yamaguchi, Hisato; Liu, Fangze
Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al. [Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated by an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quantum yield, emittance, and emission models needed by beam optics codes are discussed.
Diffuse Surface Scattering in the Plasmonic Resonances of Ultralow Electron Density Nanospheres.
Monreal, R Carmina; Antosiewicz, Tomasz J; Apell, S Peter
Localized surface plasmon resonances (LSPRs) have recently been identified in extremely diluted electron systems obtained by doping semiconductor quantum dots. Here, we investigate the role that different surface effects, namely, electronic spill-out and diffuse surface scattering, play in the optical properties of these ultralow electron density nanosystems. Diffuse scattering originates from imperfections or roughness at a microscopic scale on the surface. Using an electromagnetic theory that describes this mechanism in conjunction with a dielectric function including the quantum size effect, we find that the LSPRs show an oscillatory behavior in both position and width for large particles and a strong blue shift in energy and an increased width for smaller radii, consistent with recent experimental results for photodoped ZnO nanocrystals. We thus show that the commonly ignored process of diffuse surface scattering is a more important mechanism affecting the plasmonic properties of ultralow electron density nanoparticles than the spill-out effect.
Full charge-density calculation of the surface energy of metals
DEFF Research Database (Denmark)
Vitos, Levente; Kollár, J..; Skriver, Hans Lomholt
of a spherically symmetrized charge density, while the Coulomb and exchange-correlation contributions are calculated by means of the complete, nonspherically symmetric charge density within nonoverlapping, space-filling Wigner-Seitz cells. The functional is used to assess the convergence and the accuracy......We have calculated the surface energy and the work function of the 4d metals by means of an energy functional based on a self-consistent, spherically symmetric atomic-sphere potential. In this approach the kinetic energy is calculated completely within the atomic-sphere approximation (ASA) by means...... of the linear-muffin-tin-orbitals (LMTO) method and the ASA in surface calculations. We find that the full charge-density functional improves the agreement with recent full-potential LMTO calculations to a level where the average deviation in surface energy over the 4d series is down to 10%....
The impact of agriculture terraces on soil organic matter, aggregate stability, water repellency and bulk density. A study in abandoned and active farms in the Sierra de Enguera, Eastern Spain.
Cerdà, Artemi; Burguet, Maria; Keesstra, Saskia; Prosdocimi, Massimo; Di Prima, Simone; Brevik, Erik; Novara, Agata; Jordan, Antonio; Tarolli, Paolo
Soil erosion, land degradation, lack of organic matter, erodible soils, rock outcrops… are a consequence of the human abuse and misuse of the soil resources. And this is a worldwide environmental issue (Novara et al., 2011; Vanlauwe et al., 2015; Musinguzi et al., 2015; Pereira et al., 2015; Mwagno et al., 2016). Agriculture terraces are a strategy to reduce the soil erosion, improve the soil fertility and allow the ploughing (Cerdà et al., 2010; Li et al., 2014). Although this idea is well accepted there are few scientific evidences that demonstrate that soils in the terraced areas are more stable, fertile and sustainable that the soil in non terraced areas. In fact, the ploughing in comparison to the abandoned or not ploughed land results in the soil degradation (Lieskovský and Kenderessy, 2014; Gao et al., 2015; Parras-Alcántara et al., 2014). This is mainly due to the lack of vegetation that increase the surface runoff (Cerdà et al., 1998; Keesstra et al., 2007). And why is necessary to develop also in terraced landscapes soil erosion control strategies (Mekonnen et al., 2015a; Mekonnen et al., 2015b; Prosdocimi et al., 2016). Our objective was to assess the soil organic matter content (Walkley and Black, 1934), the soil bulk density (ring method), the aggregate stabilility (drop impact) and the water repellency (Water Drop Penetration Time test) in four study sites in the Sierra de Enguera. Two sites were terraced: one abandoned 40 years before the measurements and the other still active with olive crops. And two control sites non-terraced. We used the paired plot strategy to compare the impact of terracing and abandonment. At each site we collected randomly 50 soil samples at 0-2 cm, 4-6 and 8-10 cm depth. At each sampling point 100 WDPT measurements where carried out, and one sample for the bulk density, and one for the organic matter, and one for the soil aggregate stability were collected. The soil surface samples shown the largest differences. The
Surface-Sensitive and Bulk Studies on the Complexation and Photosensitized Degradation of Catechol by Iron(III) as a Model for Multicomponent Aerosol Systems
Al-abadleh, H. A.; Tofan-Lazar, J.; Situm, A.; Ruffolo, J.; Slikboer, S.
Surface water plays a crucial role in facilitating or inhibiting surface reactions in atmospheric aerosols. Little is known about the role of surface water in the complexation of organic molecules to transition metals in multicomponent aerosol systems. We will show results from real time diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments for the in situ complexation of catechol to Fe(III) and its photosensitized degradation under dry and humid conditions. Catechol was chosen as a simple model for humic-like substances (HULIS) in aerosols and aged polyaromatic hydrocarbons (PAH). It has also been detected in secondary organic aerosols (SOA) formed from the reaction of hydroxyl radicals with benzene. Given the importance of the iron content in aerosols and its biogeochemistry, our studies were conducted using FeCl3. For comparison, these surface-sensitive studies were complemented with bulk aqueous ATR-FTIR, UV-vis, and HPLC measurements for structural, quantitative and qualitative information about complexes in the bulk, and potential degradation products. The implications of our studies on understanding interfacial and condensed phase chemistry relevant to multicomponent aerosols, water thin islands on buildings, and ocean surfaces containing transition metals will be discussed.
Influence of particle flux density and temperature on surface modifications of tungsten and deuterium retention
Energy Technology Data Exchange (ETDEWEB)
Buzi, Luxherta, E-mail: firstname.lastname@example.com [Ghent University, Department of Applied Physics, Sint-Pietersnieuwstraat 41, B-9000 Ghent (Belgium); FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research, Edisonbaan 14, 3439 MN, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany); Université de Lorraine, Institut Jean Lamour, CNRS UMR 7198, Bvd. des Aiguillettes, F-54506 Vandoeuvre (France); Temmerman, Greg De [FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research, Edisonbaan 14, 3439 MN, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Unterberg, Bernhard; Reinhart, Michael; Litnovsky, Andrey; Philipps, Volker [Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany); Oost, Guido Van [Ghent University, Department of Applied Physics, Sint-Pietersnieuwstraat 41, B-9000 Ghent (Belgium); Möller, Sören [Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany)
Systematic study of deuterium irradiation effects on tungsten was done under ITER – relevant high particle flux density, scanning a broad surface temperature range. Polycrystalline ITER – like grade tungsten samples were exposed in linear plasma devices to two different ranges of deuterium ion flux densities (high: 3.5–7 · 10{sup 23} D{sup +}/m{sup 2} s and low: 9 · 10{sup 21} D{sup +}/m{sup 2} s). Particle fluence and ion energy, respectively 10{sup 26} D{sup +}/m{sup 2} and ∼38 eV were kept constant in all cases. The experiments were performed at three different surface temperatures 530 K, 630 K and 870 K. Experimental results concerning the deuterium retention and surface modifications of low flux exposure confirmed previous investigations. At temperatures 530 K and 630 K, deuterium retention was higher at lower flux density due to the longer exposure time (steady state plasma operation) and a consequently deeper diffusion range. At 870 K, deuterium retention was found to be higher at high flux density according to the thermal desorption spectroscopy (TDS) measurements. While blisters were completely absent at low flux density, small blisters of about 40–50 nm were formed at high flux density exposure. At the given conditions, a relation between deuterium retention and blister formation has been found which has to be considered in addition to deuterium trapping in defects populated by diffusion.
Influence of particle flux density and temperature on surface modifications of tungsten and deuterium retention
International Nuclear Information System (INIS)
Buzi, Luxherta; Temmerman, Greg De; Unterberg, Bernhard; Reinhart, Michael; Litnovsky, Andrey; Philipps, Volker; Oost, Guido Van; Möller, Sören
Systematic study of deuterium irradiation effects on tungsten was done under ITER – relevant high particle flux density, scanning a broad surface temperature range. Polycrystalline ITER – like grade tungsten samples were exposed in linear plasma devices to two different ranges of deuterium ion flux densities (high: 3.5–7 · 10 23 D + /m 2 s and low: 9 · 10 21 D + /m 2 s). Particle fluence and ion energy, respectively 10 26 D + /m 2 and ∼38 eV were kept constant in all cases. The experiments were performed at three different surface temperatures 530 K, 630 K and 870 K. Experimental results concerning the deuterium retention and surface modifications of low flux exposure confirmed previous investigations. At temperatures 530 K and 630 K, deuterium retention was higher at lower flux density due to the longer exposure time (steady state plasma operation) and a consequently deeper diffusion range. At 870 K, deuterium retention was found to be higher at high flux density according to the thermal desorption spectroscopy (TDS) measurements. While blisters were completely absent at low flux density, small blisters of about 40–50 nm were formed at high flux density exposure. At the given conditions, a relation between deuterium retention and blister formation has been found which has to be considered in addition to deuterium trapping in defects populated by diffusion
Surface radiant flux densities inferred from LAC and GAC AVHRR data
Berger, F.; Klaes, D.
To infer surface radiant flux densities from current (NOAA-AVHRR, ERS-1/2 ATSR) and future meteorological (Envisat AATSR, MSG, METOP) satellite data, the complex, modular analysis scheme SESAT (Strahlungs- und Energieflüsse aus Satellitendaten) could be developed (Berger, 2001). This scheme allows the determination of cloud types, optical and microphysical cloud properties as well as surface and TOA radiant flux densities. After testing of SESAT in Central Europe and the Baltic Sea catchment (more than 400scenes U including a detailed validation with various surface measurements) it could be applied to a large number of NOAA-16 AVHRR overpasses covering the globe.For the analysis, two different spatial resolutions U local area coverage (LAC) andwere considered. Therefore, all inferred results, like global area coverage (GAC) U cloud cover, cloud properties and radiant properties, could be intercompared. Specific emphasis could be made to the surface radiant flux densities (all radiative balance compoments), where results for different regions, like Southern America, Southern Africa, Northern America, Europe, and Indonesia, will be presented. Applying SESAT, energy flux densities, like latent and sensible heat flux densities could also be determined additionally. A statistical analysis of all results including a detailed discussion for the two spatial resolutions will close this study.
A thermodynamic perturbation theory for the surface tension and ion density profile of a liquid metal
International Nuclear Information System (INIS)
Evans, R.; Kumaravadivel, R.
A simple scheme for determining the ion density profile and the surface tension of a liquid metal is described. Assuming that the interaction between metallic pseudo-ions is of the form introduced by Evans, an approximate expression for the excess free energy of the system is derived using the thermodynamic perturbation theory of Weeks, Chandler and Anderson. This excess free energy is then minimized with respect to a parameter which specifies the ion density profile, and the surface tension is given directly. From a consideration of the dependence of the interionic forces on the electron density it is predicted that the ions should take up a very steep density profile at the liquid metal surface. This behaviour is contrasted with that to be expected for rare-gas fluids in which the interatomic forces are density-independent. The values of the surface tension calculated for liquid Na, K and Al from a simplified version of the theory are in reasonable agreement with experiment. (author)
Influence of the size of Gd211 starting powder on the critical current density of Gd-Ba-Cu-O bulk superconductor
International Nuclear Information System (INIS)
Nariki, S.; Seo, S.J.; Sakai, N.; Murakami, M.
The relationship between the particle size of Gd211 powder in the precursor and the particle size of Gd211 inclusions in Gd-Ba-Cu-O bulk has been investigated. Gd211 starting powders with various diameters were prepared by the calcination of Gd 2 O 3 , BaO 2 and CuO powders at different temperatures between 800 and 1000 deg. C. The particle size of Gd211 in the melt-grown bulk was proportional to the particle size of the initial Gd211 powder. In conclusion, the employment of fine Gd211 powder led to a size reduction of 211 particles in the bulk, while largely enhancing the J c values in low magnetic fields. A large Gd-Ba-Cu-O/Ag bulk sample, 32 mm in diameter, could also be fabricated by the hot-seeding method. The maximum trapped field value revealed 1.5 T at 77 K. (author)
Effects of forest road amelioration techniques on soil bulk density, surface runoff, sediment transport, soil moisture and seedling growth
Randy K. Kolka; Mathew F. Smidt
Although numerous methods have been used to retire roads, new technologies have evolved that can potentially ameliorate soil damage, lessen ,the generation of nonpoint source pollution and increase tree productivity on forest roads. In this study we investigated the effects of three forest road amelioration techniques, subsoiling, recontouring and traditional...
Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors
Ryno, Sean; Risko, Chad; Bredas, Jean-Luc
The polarizable environment surrounding charge carriers in organic semiconductors impacts the efficiency of the charge transport process. Here, we consider two representative organic semiconductors, tetracene and rubrene, and evaluate
A Combined Model of Charging of the Surface and Bulk of a Dielectric Target by Electrons with the Energies 10-30 keV
Zykov, V. M.; Neiman, D. A.
A physico-mathematical model of the processes of radiation-induced charging of dielectric materials with open surfaces, irradiated with monoenergetic electrons in the energy range 10-30 keV, is described. The model takes into account the relationship between the processes of surface and bulk charging for the given conditions of the experimental design, which accounts for the effect of anomalously long charging of dielectrics after the incident energy of primary electrons during charging is reduced to below the second critical energy for the secondary electronic emission coefficient. The initial fast phase of charging a high-resistivity dielectric material (Al2O3) is investigated. It is shown that as the incident electron energy is approaching the second critical energy during charging, the secondary electronic emission is partially suppressed due to negative charging of the open surface of the dielectric and formation of a near-surface inversion electrical field retarding the electronic emission yield.
Analysis of the surface density and reactivity of perfluorophenylazide and the impact on ligand immobilization
Energy Technology Data Exchange (ETDEWEB)
Zorn, Gilad, E-mail: firstname.lastname@example.com; Castner, David G. [National ESCA and Surface Analysis Center for Biomedical Problems, Departments of Bioengineering and Chemical Engineering, University of Washington, Box 351653, Seattle, Washington 98195-1653 (United States); Tyagi, Anuradha; Wang, Xin; Wang, Hui; Yan, Mingdi, E-mail: firstname.lastname@example.com [Department of Chemistry, Portland State University, Portland, Oregon 97207-0751 (United States)
Perfluorophenylazide (PFPA) chemistry is a novel method for tailoring the surface properties of solid surfaces and nanoparticles. It is general and versatile, and has proven to be an efficient way to immobilize graphene, proteins, carbohydrates, and synthetic polymers. The main thrust of this work is to provide a detailed investigation on the chemical composition and surface density of the PFPA tailored surface. Specifically, gold surfaces were treated with PFPA-derivatized (11-mercaptoundecyl)tetra(ethylene glycol) (PFPA-MUTEG) mixed with 2-[2-(2-mercaptoethoxy)ethoxy]ethanol (MDEG) at varying solution mole ratios. Complementary analytical techniques were employed to characterize the resulting films including Fourier transform infrared spectroscopy to detect fingerprints of the PFPA group, x-ray photoelectron spectroscopy and ellipsometry to study the homogeneity and uniformity of the films, and near edge x-ray absorption fine structures to study the electronic and chemical structure of the PFPA groups. Results from these studies show that the films prepared from 90:10 and 80:20 PFPA-MUTEG/MDEG mixed solutions exhibited the highest surface density of PFPA and the most homogeneous coverage on the surface. A functional assay using surface plasmon resonance with carbohydrates covalently immobilized onto the PFPA-modified surfaces showed the highest binding affinity for lectin on the PFPA-MUTEG/MDEG film prepared from a 90:10 solution.
Novel approach for a PTX/VEGF dual drug delivery system in cardiovascular applications-an innovative bulk and surface drug immobilization.
Wulf, Katharina; Teske, Michael; Matschegewski, Claudia; Arbeiter, Daniela; Bajer, Dalibor; Eickner, Thomas; Schmitz, Klaus-Peter; Grabow, Niels
The successive incorporation of several drugs into the polymeric bulk of implants mostly results in loss of considerable quantity of one drug, and/or the loss in quality of the coating and also in changes of drug release time points. A dual drug delivery system (DDDS) based on poly-L-lactide (PLLA) copolymers combining the effective inhibition of smooth muscle cell proliferation while simultaneously promoting re-endothelialization was successfully developed. To overcome possible antagonistic drug interactions and the limitation of the polymeric bulk material as release system for dual drugs, a novel concept which combines the bulk and surface drug immobilization for a DDDS was investigated. The advantage of this DDDS is that the bulk incorporation of fluorescein diacetate (FDAc) (model drug for paclitaxel (PTX)) via spray coating enhanced the subsequent cleavable surface coupling of vascular endothelial growth factor (VEGF) via the crosslinker bissulfosuccinimidyl suberate (BS 3 ). In the presence of the embedded FDAc, the VEGF loading and release are about twice times higher than in absence. Furthermore, the DDDS combines the diffusion drug delivery (FDAc or PTX) and the chemical controlled drug release, VEGF via hydrolysable ester bonds, without loss in quantity and quality of the drug release curves. Additionally, the performed in vitro biocompatibility study showed the bimodal influences of PTX and VEGF on human endothelial EA.hy926 cells. In conclusion, it was possible to show the feasibility to develop a novel DDDS which has a high potential for the medical application due to the possible easy and short modification of a polymer-based PTX delivery system.
A Density Functional Tight Binding Study of Acetic Acid Adsorption on Crystalline and Amorphous Surfaces of Titania
Directory of Open Access Journals (Sweden)
Sergei Manzhos
Full Text Available We present a comparative density functional tight binding study of an organic molecule attachment to TiO2 via a carboxylic group, with the example of acetic acid. For the first time, binding to low-energy surfaces of crystalline anatase (101, rutile (110 and (B-TiO2 (001, as well as to the surface of amorphous (a- TiO2 is compared with the same computational setup. On all surfaces, bidentate configurations are identified as providing the strongest adsorption energy, Eads = −1.93, −2.49 and −1.09 eV for anatase, rutile and (B-TiO2, respectively. For monodentate configurations, the strongest Eads = −1.06, −1.11 and −0.86 eV for anatase, rutile and (B-TiO2, respectively. Multiple monodentate and bidentate configurations are identified on a-TiO2 with a distribution of adsorption energies and with the lowest energy configuration having stronger bonding than that of the crystalline counterparts, with Eads up to −4.92 eV for bidentate and −1.83 eV for monodentate adsorption. Amorphous TiO2 can therefore be used to achieve strong anchoring of organic molecules, such as dyes, that bind via a -COOH group. While the presence of the surface leads to a contraction of the band gap vs. the bulk, molecular adsorption caused no appreciable effect on the band structure around the gap in any of the systems.
Single-Step Fabrication of High-Density Microdroplet Arrays of Low-Surface-Tension Liquids.
Feng, Wenqian; Li, Linxian; Du, Xin; Welle, Alexander; Levkin, Pavel A
A facile approach for surface patterning that enables single-step fabrication of high-density arrays of low-surface-tension organic-liquid microdroplets is described. This approach enables miniaturized and parallel high-throughput screenings in organic solvents, formation of homogeneous arrays of hydrophobic nanoparticles, polymer micropads of specific shapes, and polymer microlens arrays. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
The effect of inter-granular constraints on the response of polycrystalline piezoelectric ceramics at the surface and in the bulk
DEFF Research Database (Denmark)
Hossain, Mohammad J.; Wang, Zhiyang; Khansur, Neamul H.
V) synchrotron X-ray diffraction with in situ electric fields. The results show that for tetragonal PZT at a maximum electric field of 2.8 kV/mm, the electric-field-induced lattice strain (ε111) is 20% higher at the surface than in the bulk, and non-180° ferroelectric domain texture (as indicated......The electro-mechanical coupling mechanisms in polycrystalline ferroelectric materials, including a soft PbZrxTi1−xO3 (PZT) and lead-free 0.9375(Bi1/2Na1/2)TiO3-0.0625BaTiO3 (BNT-6.25BT), have been studied using a surface sensitive low-energy (12.4 keV) and bulk sensitive high-energy (73 ke...... by the intensity ratio I002/I200) is 16% higher at the surface. In the case of BNT-6.25BT, which is pseudo-cubic up to fields of 2 kV/mm, lattice strains, ε111 and ε200, are 15% and 20% higher at the surface, while in the mixed tetragonal and rhombohedral phases at 5 kV/mm, the domain texture indicated...
Estimating the amount and distribution of radon flux density from the soil surface in China
International Nuclear Information System (INIS)
Zhuo Weihai; Guo Qiuju; Chen Bo; Cheng Guan
Based on an idealized model, both the annual and the seasonal radon ( 222 Rn) flux densities from the soil surface at 1099 sites in China were estimated by linking a database of soil 226 Ra content and a global ecosystems database. Digital maps of the 222 Rn flux density in China were constructed in a spatial resolution of 25 km x 25 km by interpolation among the estimated data. An area-weighted annual average 222 Rn flux density from the soil surface across China was estimated to be 29.7 ± 9.4 mBq m -2 s -1 . Both regional and seasonal variations in the 222 Rn flux densities are significant in China. Annual average flux densities in the southeastern and northwestern China are generally higher than those in other regions of China, because of high soil 226 Ra content in the southeastern area and high soil aridity in the northwestern one. The seasonal average flux density is generally higher in summer/spring than winter, since relatively higher soil temperature and lower soil water saturation in summer/spring than other seasons are common in China
Surface density: a new parameter in the fundamental metallicity relation of star-forming galaxies
Hashimoto, Tetsuya; Goto, Tomotsugu; Momose, Rieko
Star-forming galaxies display a close relation among stellar mass, metallicity, and star formation rate (or molecular-gas mass). This is known as the fundamental metallicity relation (FMR) (or molecular-gas FMR), and it has a profound implication on models of galaxy evolution. However, there still remains a significant residual scatter around the FMR. We show here that a fourth parameter, the surface density of stellar mass, reduces the dispersion around the molecular-gas FMR. In a principal component analysis of 29 physical parameters of 41 338 star-forming galaxies, the surface density of stellar mass is found to be the fourth most important parameter. The new 4D fundamental relation forms a tighter hypersurface that reduces the metallicity dispersion to 50 per cent of that of the molecular-gas FMR. We suggest that future analyses and models of galaxy evolution should consider the FMR in a 4D space that includes surface density. The dilution time-scale of gas inflow and the star-formation efficiency could explain the observational dependence on surface density of stellar mass.
Surface of Maximums of AR(2 Process Spectral Densities and its Application in Time Series Statistics
Directory of Open Access Journals (Sweden)
Alexander V. Ivanov
Conclusions. The obtained formula of surface of maximums of noise spectral densities gives an opportunity to realize for which values of AR(2 process characteristic polynomial coefficients it is possible to look for greater rate of convergence to zero of the probabilities of large deviations of the considered estimates.
Density, viscosity and surface tension of liquid phase Beckmann rearrangement mixtures
Zuidhof, K.T.; Croon, de M.H.J.M.; Schouten, J.C.; Tinge, J.T.
We have determined the density, dynamic viscosity, and surface tension of liquid phase Beckmann rearrangement mixtures, consisting of e-caprolactam and fuming oleum. These important properties have been measured in wide ranges of both temperature and molar ratios of acid and e-caprolactam, covering
Inversion of gravity and gravity gradiometry data for density contrast surfaces using Cauchy-type integrals
DEFF Research Database (Denmark)
Zhdanov, Michael; Cai, Hongzhu
We introduce a new method of modeling and inversion of potential field data generated by a density contrast surface. Our method is based on 3D Cauchy-type integral representation of the potential fields. Traditionally, potential fields are calculated using volume integrals of the domains occupied...
Covalent Coupling of Nanoparticles with Low-Density Functional Ligands to Surfaces via Click Chemistry
Rianasari, I.; de Jong, Machiel Pieter; Huskens, Jurriaan; van der Wiel, Wilfred Gerard
We demonstrate the application of the 1,3-dipolar cycloaddition ("click‿ reaction) to couple gold nanoparticles (Au NPs) functionalized with low densities of functional ligands. The ligand coverage on the citrate-stabilized Au NPs was adjusted by the ligand:Au surface atom ratio, while maintaining
Surface density mapping of natural tissue by a scanning haptic microscope (SHM).
Moriwaki, Takeshi; Oie, Tomonori; Takamizawa, Keiichi; Murayama, Yoshinobu; Fukuda, Toru; Omata, Sadao; Nakayama, Yasuhide
To expand the performance capacity of the scanning haptic microscope (SHM) beyond surface mapping microscopy of elastic modulus or topography, surface density mapping of a natural tissue was performed by applying a measurement theory of SHM, in which a frequency change occurs upon contact of the sample surface with the SHM sensor - a microtactile sensor (MTS) that vibrates at a pre-determined constant oscillation frequency. This change was mainly stiffness-dependent at a low oscillation frequency and density-dependent at a high oscillation frequency. Two paragon examples with extremely different densities but similar macroscopic elastic moduli in the range of natural soft tissues were selected: one was agar hydrogels and the other silicon organogels with extremely low (less than 25 mg/cm(3)) and high densities (ca. 1300 mg/cm(3)), respectively. Measurements were performed in saline solution near the second-order resonance frequency, which led to the elastic modulus, and near the third-order resonance frequency. There was little difference in the frequency changes between the two resonance frequencies in agar gels. In contrast, in silicone gels, a large frequency change by MTS contact was observed near the third-order resonance frequency, indicating that the frequency change near the third-order resonance frequency reflected changes in both density and elastic modulus. Therefore, a density image of the canine aortic wall was subsequently obtained by subtracting the image observed near the second-order resonance frequency from that near the third-order resonance frequency. The elastin-rich region had a higher density than the collagen-rich region.
Test data on electrical contacts at high surface velocities and high current densities for homopolar generators
International Nuclear Information System (INIS)
Brennan, M.; Tolk, K.M.; Weldon, W.F.; Rylander, H.G.; Woodson, H.H.
Test data is presented for one grade of copper graphite brush material, Morganite CMlS, over a wide range of surface velocities, atmospheres, and current densities that are expected for fast discharge (<100 ms) homopolar generators. The brushes were run on a copper coated 7075-T6 aluminum disk at surface speeds up to 277 m/sec. One electroplated copper and three flame sprayed copper coatings were used during the tests. Significant differences in contact voltage drops and surface mechanical properties of the copper coatings were observed
Inhomogeneity of surface magnetic field over a NdFeB guideway and its influence on levitation force of the HTS bulk maglev system
International Nuclear Information System (INIS)
Zhang, Longcai; Wang Jiasu; He Qingyong; Zhang Jianghua; Wang Suyu
Superconducting maglev vehicle system was one of the most promising applications of HTS bulks. The NdFeB guideway in this system was composed of many NdFeB permanent magnets and screws, so the air gaps (airgaps) between two permanent magnets and the screws would result in the inhomogeneity of the surface magnetic field. In this paper, we studied the magnetic inhomogeneity over the permanent magnet guideway (PMG) used in high-temperature superconducting (HTS) maglev vehicle system and its influence on the levitation force of the HTS bulk. Firstly, we measured the transverse magnetic field above the airgap, the screw and the place under where there was no airgap and screw. It was found that the magnetic field 10 mm above the guideway was roughly uniform. Secondly, we investigated the influence of the magnetic inhomogeneity of the PMG on levitation force of the bulk superconductor. From the experiment results, we found that the influence was very small, and would be ignored. Therefore, we could conclude that the PMG made by this method satisfied the requirements of the HTS maglev vehicle system in a quasi-static state
Inhomogeneity of surface magnetic field over a NdFeB guideway and its influence on levitation force of the HTS bulk maglev system
Energy Technology Data Exchange (ETDEWEB)
Zhang, Longcai [Applied Superconductivity Laboratory, Southwest Jiaotong University, P.O. Box 152, Chengdu 610031 (China)]. E-mail: firstname.lastname@example.com; Wang Jiasu [Applied Superconductivity Laboratory, Southwest Jiaotong University, P.O. Box 152, Chengdu 610031 (China); He Qingyong [Applied Superconductivity Laboratory, Southwest Jiaotong University, P.O. Box 152, Chengdu 610031 (China); Zhang Jianghua [Applied Superconductivity Laboratory, Southwest Jiaotong University, P.O. Box 152, Chengdu 610031 (China); Wang Suyu [Applied Superconductivity Laboratory, Southwest Jiaotong University, P.O. Box 152, Chengdu 610031 (China)
Superconducting maglev vehicle system was one of the most promising applications of HTS bulks. The NdFeB guideway in this system was composed of many NdFeB permanent magnets and screws, so the air gaps (airgaps) between two permanent magnets and the screws would result in the inhomogeneity of the surface magnetic field. In this paper, we studied the magnetic inhomogeneity over the permanent magnet guideway (PMG) used in high-temperature superconducting (HTS) maglev vehicle system and its influence on the levitation force of the HTS bulk. Firstly, we measured the transverse magnetic field above the airgap, the screw and the place under where there was no airgap and screw. It was found that the magnetic field 10 mm above the guideway was roughly uniform. Secondly, we investigated the influence of the magnetic inhomogeneity of the PMG on levitation force of the bulk superconductor. From the experiment results, we found that the influence was very small, and would be ignored. Therefore, we could conclude that the PMG made by this method satisfied the requirements of the HTS maglev vehicle system in a quasi-static state.
Deposition of thin films and surface modification by pulsed high energy density plasma
International Nuclear Information System (INIS)
Yan Pengxun; Yang Size
The use of pulsed high energy density plasma is a new low temperature plasma technology for material surface treatment and thin film deposition. The authors present detailed theoretical and experimental studies of the production mechanism and physical properties of the pulsed plasma. The basic physics of the pulsed plasma-material interaction has been investigated. Diagnostic measurements show that the pulsed plasma has a high electron temperature of 10-100 eV, density of 10 14 -10 16 cm -3 , translation velocity of ∼10 -7 cm/s and power density of ∼10 4 W/cm 2 . Its use in material surface treatment combines the effects of laser surface treatment, electron beam treatment, shock wave bombardment, ion implantation, sputtering deposition and chemical vapor deposition. The metastable phase and other kinds of compounds can be produced on low temperature substrates. For thin film deposition, a high deposition ratio and strong film to substrate adhesion can be achieved. The thin film deposition and material surface modification by the pulsed plasma and related physical mechanism have been investigated. Thin film c-BN, Ti(CN), TiN, DLC and AlN materials have been produced successfully on various substrates at room temperature. A wide interface layer exists between film and substrate, resulting in strong adhesion. Metal surface properties can be improved greatly by using this kind of treatment
Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.
Ge, Zhenpeng; Wang, Yi
Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.
Superionic Conductivity of Sm3+, Pr3+, and Nd3+ Triple-Doped Ceria through Bulk and Surface Two-Step Doping Approach.
Liu, Yanyan; Fan, Liangdong; Cai, Yixiao; Zhang, Wei; Wang, Baoyuan; Zhu, Bin
Sufficiently high oxygen ion conductivity of electrolyte is critical for good performance of low-temperature solid oxide fuel cells (LT-SOFCs). Notably, material conductivity, reliability, and manufacturing cost are the major barriers hindering LT-SOFC commercialization. Generally, surface properties control the physical and chemical functionalities of materials. Hereby, we report a Sm 3+ , Pr 3+ , and Nd 3+ triple-doped ceria, exhibiting the highest ionic conductivity among reported doped-ceria oxides, 0.125 S cm -1 at 600 °C. It was designed using a two-step wet-chemical coprecipitation method to realize a desired doping for Sm 3+ at the bulk and Pr 3+ /Nd 3+ at surface domains (abbreviated as PNSDC). The redox couple Pr 3+ /Pr 4+ contributes to the extraordinary ionic conductivity. Moreover, the mechanism for ionic conductivity enhancement is demonstrated. The above findings reveal that a joint bulk and surface doping methodology for ceria is a feasible approach to develop new oxide-ion conductors with high impacts on advanced LT-SOFCs.
Density and surface tension of melts of zirconium and hafnium fluorides with lithium fluoride
International Nuclear Information System (INIS)
Katyshev, S.F.; Artemov, V.V.; Desyatnik, V.N.
A study was conducted to determine the temperature dependence of the density and surface tension of melts of LiF-ZrF 4 and LiF-HfF 4 . Density and surface tension were determined by the method of maximum pressure in an argon bubble. On the basis of experimental data over the entire concentration range the molar volumes and their relative deviations from the additive molar volumes were calculated for 1100 0 K. The positive deviations of the molar volumes from additivity in the LiF-HfF 4 system (22.45%) were greater than in the LiF-ZrF 4 system (15.75%). This indicated that the reaction with lithium fluoride is intensified with the switch to the hafnium fluoride. Results also demonstrated that the fluorides are surface-active components in the molten mixtures
Quasiclassical Theory of Spin Dynamics in Superfluid ^3He: Kinetic Equations in the Bulk and Spin Response of Surface Majorana States
Silaev, M. A.
We develop a theory based on the formalism of quasiclassical Green's functions to study the spin dynamics in superfluid ^3He. First, we derive kinetic equations for the spin-dependent distribution function in the bulk superfluid reproducing the results obtained earlier without quasiclassical approximation. Then, we consider spin dynamics near the surface of fully gapped ^3He-B-phase taking into account spin relaxation due to the transitions in the spectrum of localized fermionic states. The lifetimes of longitudinal and transverse spin waves are calculated taking into account the Fermi-liquid corrections which lead to a crucial modification of fermionic spectrum and spin responses.
Characterization of etch pit formation via the Everson-etching method on CdZnTe crystal surfaces from the bulk to the nanoscale
International Nuclear Information System (INIS)
Teague, Lucile C.; Duff, Martine C.; Cadieux, James R.; Soundararajan, Raji; Shick, Charles R.; Lynn, Kelvin G.
A combination of atomic force microscopy, optical microscopy, and mass spectrometry was employed to study CdZnTe crystal surface and used etchant solution following exposure of the CdZnTe crystal to the Everson etch solution. We discuss the results of these studies in relationship to the initial surface preparation methods, the performance of the crystals as radiation spectrometers, the observed etch pit densities, and the chemical mechanism of surface etching. Our results show that the surface features that are exposed to etchants result from interactions with the chemical components of the etchants as well as pre-existing mechanical polishing.
Density Functional Theory Study of Leaching Performance of Different Acids on Pyrochlore (100) Surface
Yang, Xiuli; Fang, Qing; Ouyang, Hui
Pyrochlore leaching using hydrofluoric, sulfuric, and hydrochloric acids has been studied via experimental methods for years, but the interactions between niobium atoms on the pyrochlore surface and different acids have not been investigated. In this work, first-principles calculations based on density functional theory were used to elucidate the leaching performance of these three acids from the viewpoint of geometrical and electronic structures. The calculation results indicate that sulfate, chloride, and fluoride anions influence the geometric structure of pyrochlore (100) to different extents, decreasing in the order: sulfate, fluoride, chloride. Orbitals of O1 and O2 atoms of sulfate hybridized with those of surface niobium atom. Fluorine orbitals hybridized with those of surface niobium atoms. However, no obvious overlap exists between any orbitals of chlorine and surface niobium, revealing that chlorine does not interact chemically with surface niobium atoms.
A density functional theory study of the TMG adsorption on the GaN surface
Energy Technology Data Exchange (ETDEWEB)
Ptasinska, Maria; Soltys, Jakub; Piechota, Jacek [Interdisciplinary Centre for Materials Modelling, University of Warsaw, ul. Pawinskiego 5a, 02-106 Warszawa (Poland); Krukowski, Stanislaw [Interdisciplinary Centre for Materials Modelling, University of Warsaw, ul. Pawinskiego 5a, 02-106 Warszawa (Poland); Institute of High Pressure Physics, Polish Academy of Sciences, ul. Sokolowska 29/37, 01-142 Warsaw (Poland)
TMG (trimetylogallium) and NH{sub 3} (ammonia) are widely used reactants in the metal organic chemical vapor deposition (MOCVD) technique used in the growth of the GaN thin films. We have recently examined theoretically, with the help of the density functional theory (DFT), TMG adsorption on the GaN(0001) surface in order to study formation of bonds between Ga and N. Dangling bonds on the GaN(0001) surface were saturated with the hydrogen atoms. The slab polarization, which is due to the dangling bonds present on the GaN(0001) surface, and energy of the system in the vicinity of TMG was computed for different distances between the surface atoms and TMG. We also studied TMG diffusion on the GaN surface. As a result, the energy path for diffusion from Top N to Hollow was obtained.
Combined effect of bulk and surface damage on strip insulation properties of proton irradiated n$^{+}$-p silicon strip sensors
Dalal, R; Ranjan, K; Moll, M; Elliott-Peisert, A
Silicon sensors in next generation hadron colliders willface a tremendously harsh radiation environment. Requirement tostudy rarest reaction channels with statistical constraints hasresulted in a huge increment in radiation flux, resulting in bothsurface damage and bulk damage. For sensors which are used in acharged hadron environment, both of these degrading processes takeplace simultaneously. Recently it has been observed in protonirradiated n$^{+}$-p Si strip sensors that n$^{+}$ strips had a goodinter-strip insulation with low values of p-spray and p-stop dopingdensities which is contrary to the expected behaviour from thecurrent understanding of radiation damage. In this work a simulationmodel has been devised incorporating radiation damage to understandand provide a possible explanation to the observed behaviour ofirradiated sensors.
Lowering the density of electronic defects on organic-functionalized Si(100) surfaces
International Nuclear Information System (INIS)
Peng, Weina; DeBenedetti, William J. I.; Kim, Seonjae; Chabal, Yves J.; Hines, Melissa A.
The electrical quality of functionalized, oxide-free silicon surfaces is critical for chemical sensing, photovoltaics, and molecular electronics applications. In contrast to Si/SiO 2 interfaces, the density of interface states (D it ) cannot be reduced by high temperature annealing because organic layers decompose above 300 °C. While a reasonable D it is achieved on functionalized atomically flat Si(111) surfaces, it has been challenging to develop successful chemical treatments for the technologically relevant Si(100) surfaces. We demonstrate here that recent advances in the chemical preparation of quasi-atomically-flat, H-terminated Si(100) surfaces lead to a marked suppression of electronic states of functionalized surfaces. Using a non-invasive conductance-voltage method to study functionalized Si(100) surfaces with varying roughness, a D it as low as 2.5 × 10 11 cm −2 eV −1 is obtained for the quasi-atomically-flat surfaces, in contrast to >7 × 10 11 cm −2 eV −1 on atomically rough Si(100) surfaces. The interfacial quality of the organic/quasi-atomically-flat Si(100) interface is very close to that obtained on organic/atomically flat Si(111) surfaces, opening the door to applications previously thought to be restricted to Si(111)
Novel method for the simultaneous estimation of density and surface tension of liquids
International Nuclear Information System (INIS)
Thirunavukkarasu, G.; Srinivasan, G.J.
The conventional Hare's apparatus generally used for the determination of density of liquids has been modified by replacing its vertical arms (glass tubes) with capillary tubes of 30 cm length and 0.072 cm diameter. When the columns of liquids are drawn through the capillary tubes with reduced pressure at the top of the liquid columns and kept at equilibrium with the atmospheric pressure acting on the liquid surface outside the capillary tubes, the downward pressure due to gravity of the liquid columns has to be coupled with the pressure arising due to the effect of surface tension of the liquids. A fresh expression for the density and surface tension of liquids has been arrived at while equating the pressure balancing system for the two individual liquid columns of the modified Hare's apparatus. The experimental results showed that the proposed method is precise and accurate in the simultaneous estimation of density and surface tension of liquids, with an error of less than 5%
Communication: Surface-to-bulk diffusion of isolated versus interacting C atoms in Ni(111) and Cu(111) substrates: A first principle investigation
Energy Technology Data Exchange (ETDEWEB)
Harpale, Abhilash; Panesi, Marco; Chew, Huck Beng, E-mail: email@example.com [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)
Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C–C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C–C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C–C bonding over C–Cu bonding, which results in C–C dimer pair formation near the surface. The dramatically different C–C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.
Communication: Surface-to-bulk diffusion of isolated versus interacting C atoms in Ni(111) and Cu(111) substrates: A first principle investigation.
Harpale, Abhilash; Panesi, Marco; Chew, Huck Beng
Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C-C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C-C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C-C bonding over C-Cu bonding, which results in C-C dimer pair formation near the surface. The dramatically different C-C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.
Molecular simulation insights on the in vacuo adsorption of amino acids on graphene oxide surfaces with varying surface oxygen densities
Energy Technology Data Exchange (ETDEWEB)
Rahmani, Farzin; Nouranian, Sasan, E-mail: email@example.com; Mahdavi, Mina [University of Mississippi, Department of Chemical Engineering (United States); Al-Ostaz, Ahmed [University of Mississippi, Department of Civil Engineering (United States)
In this fundamental study, a series of molecular dynamics simulations were performed in vacuo to investigate the energetics and select geometries of 20 standard amino acids (AAs) on pristine graphene (PG) and graphene oxide (GO) surfaces as a function of graphene surface oxygen density. These interactions are of key interest to graphene/biomolecular systems. Our results indicate that aromatic AAs exhibit the strongest total interactions with the PG surfaces due to π-π stacking. Tryptophan (Trp) has the highest aromaticity due to its indole side chain and, hence, has the strongest interaction among all AAs (−16.66 kcal/mol). Aliphatic, polar, and charged AAs show various levels of affinity to the PG sheets depending on the strength of their side chain hydrophobic interactions. For example, arginine (Arg) with its guanidinium side chain exhibits the strongest interaction with the PG sheets (−13.81 kcal/mol) following aromatic AAs. Also, glycine (Gly; a polar AA) has the weakest interaction with the PG sheets (−7.29 kcal/mol). When oxygen-containing functional groups are added to the graphene sheets, the π-π stacking in aromatic AAs becomes disrupted and perfect parallelism of the aromatic rings is lost. Moreover, hydrogen bonding and/or electrostatic interactions become more pronounced. Charged AAs exhibit the strongest interactions with the GO surfaces. In general, the AA-GO interactions increase with increasing surface oxygen density, and the effect is more pronounced at higher O/C ratios. This study provides a quantitative measure of AA-graphene interactions for the design and tuning of biomolecular systems suitable for biosensing, drug delivery, and gene delivery applications.
Metals on graphene and carbon nanotube surfaces: From mobile atoms to atomtronics to bulk metals to clusters and catalysts
Sarkar, Santanu C.; Moser, Matthew L.; Tian, Xiaojuan; Zhang, Xixiang; Al-Hadeethi, Yas Fadel; Haddon, Robert C.
, and the next generation energy devices. We touch on chemical vapor deposition (CVD) graphene grown on metals, the reactivity of its surface, and its use as a template for asymmetric graphene functionalization chemistry (ultrathin Janus discs). We highlight some
Calculation of gamma-ray flux density above the Venus and Earth surfaces
International Nuclear Information System (INIS)
Surkov, Yu.A.; Manvelyan, O.S.
Calculational results of dependence of flux density of nonscattered gamma-quanta on the height above the Venus and Earth planet surfaces are presented in the paper. Areas, where a certain part of gamma quanta is accumulated, are calaculted for each height. Spectra of scattered gamma quanta and their integral fluxes at different heights above the Venera planet surface are calculated. Effect of the atmosphere on gamma radiation recorded is considered. The results obtained allow to estimate optimal conditions for measuring gamma-fields above the Venus and Earth planet surfaces, to determine the area of the planet surface investigated. They are also necessary to determine the elementary composition of the rock according to the characteristic gamma radiation spectrum recorded
Exploring the surface reactivity of 3d metal endofullerenes: a density-functional theory study.
Estrada-Salas, Rubén E; Valladares, Ariel A
Changes in the preferential sites of electrophilic, nucleophilic, and radical attacks on the pristine C60 surface with endohedral doping using 3d transition metal atoms were studied via two useful reactivity indices, namely the Fukui functions and the molecular electrostatic potential. Both of these were calculated at the density functional BPW91 level of theory with the DNP basis set. Our results clearly show changes in the preferential reactivity sites on the fullerene surface when it is doped with Mn, Fe, Co, or Ni atoms, whereas there are no significant changes in the preferential reactivity sites on the C60 surface upon endohedral doping with Cu and Zn atoms. Electron affinities (EA), ionization potentials (IP), and HOMO-LUMO gaps (Eg) were also calculated to complete the study of the endofullerene's surface reactivity. These findings provide insight into endofullerene functionalization, an important issue in their application.
Simultaneous measurements of work function and H‒ density including caesiation of a converter surface
Cristofaro, S.; Friedl, R.; Fantz, U.
Negative hydrogen ion sources rely on the surface conversion of neutral atomic hydrogen and positive hydrogen ions to H-. The efficiency of this process depends on the actual work function of the converter surface. By introducing caesium into the source the work function decreases, enhancing the negative ion yield. In order to study the impact of the work function on the H- surface production at similar conditions to the ones in ion sources for fusion devices like ITER and DEMO, fundamental investigations are performed in a flexible laboratory experiment. The work function of the converter surface can be absolutely measured by photoelectric effect, while a newly installed cavity ring-down spectroscopy system (CRDS) measures the H- density. The CRDS is firstly tested and characterized by investigations on H- volume production. Caesiation of a stainless steel sample is then performed in vacuum and the plasma effect on the Cs layer is investigated also for long plasma-on times. A minimum work function of (1.9±0.1) eV is reached after some minutes of plasma treatment, resulting in a reduction by a value of 0.8 eV compared to vacuum measurements. The H- density above the surface is (2.1±0.5)×1015 m-3. With further plasma exposure of the caesiated surface, the work function increases up to 3.75 eV, due to the impinging plasma particles which gradually remove the Cs layer. As a result, the H- density decreases by a factor of at least 2.
[INVITED] Recent advances in surface plasmon resonance based fiber optic chemical and biosensors utilizing bulk and nanostructures
Gupta, Banshi D.; Kant, Ravi
Surface plasmon resonance has established itself as an immensely acclaimed and influential optical sensing tool with quintessential applications in life sciences, environmental monitoring, clinical diagnostics, pharmaceutical developments and ensuring food safety. The implementation of sensing principle of surface plasmon resonance employing an optical fiber as a substrate has concomitantly resulted in the evolution of fiber optic surface plasmon resonance as an exceptionally lucrative scaffold for chemical and biosensing applications. This perspective article outlines the contemporary studies on fiber optic sensors founded on the sensing architecture of propagating as well as localized surface plasmon resonance. An in-depth review of the prevalent analytical and surface chemical tactics involved in configuring the sensing layer over an optical fiber for the detection of various chemical and biological entities is presented. The involvement of nanomaterials as a strategic approach to enhance the sensor sensitivity is furnished concurrently providing an insight into the diverse geometrical blueprints for designing fiber optic sensing probes. Representative examples from the literature are discussed to appreciate the latest advancements in this potentially valuable research avenue. The article concludes by identifying some of the key challenges and exploring the opportunities for expanding the scope and impact of surface plasmon resonance based fiber optic sensors.
Engineering the size and density of silicon agglomerates by controlling the initial surface carbonated contamination
Energy Technology Data Exchange (ETDEWEB)
Borowik, Ł., E-mail: email@example.com [CEA, LETI, MINATEC Campus, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France); Chevalier, N.; Mariolle, D.; Martinez, E.; Bertin, F.; Chabli, A.; Barbé, J.-C. [CEA, LETI, MINATEC Campus, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France)
Actually, thermally induced thin-films dewetting silicon in the silicon-on-insulator is a way to obtain silicon agglomerates with a size and a density fixed by the silicon film thickness. In this paper we report a new method to monitor both the size and the density of the Si agglomerates thanks to the deposition of a carbon-like layer. We show that using a 5-nm thick layer of silicon and additional ≤1-nm carbonated layer; we obtain agglomerates sizes ranging from 35 nm to 60 nm with respectively an agglomerate density ranging from 38 μm{sup −2} to 18 μm{sup −2}. Additionally, for the case of strained silicon films an alternative dewetting mechanism can be induced by monitoring the chemical composition of the sample surface.
Morphological features of the copper surface layer under sliding with high density electric current
Energy Technology Data Exchange (ETDEWEB)
Fadin, V. V., E-mail: email@example.com [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Aleutdinova, M. I., E-mail: firstname.lastname@example.com [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Seversk Technological Institute, Branch of State Autonomous Educational Institution of Higher Professional Education "National Research Nuclear University "MEPhI", Seversk, 636036 (Russian Federation); Rubtsov, V. Ye., E-mail: firstname.lastname@example.com [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation); Aleutdinova, V. A., E-mail: email@example.com [National Research St. Petersburg State Polytechnical University, St. Petersburg, 195251 (Russian Federation)
Conductivity and wear intensity of copper under the influence of dry friction and electric current with contact density higher 100 A/cm{sup 2} are presented. It is shown that an increase in hardness and heat outflow from a friction zone leads to the reduction of wear intensity and current contact density increase corresponding to the beginning of catastrophic wear. Structural changes, such as the formation of FeO oxide and α-Fe particles in the copper surface layer, have also been found. It is observed that a worn surface is deformed according to a viscous liquid mechanism. Such singularity is explained in terms of appearance of high-excited atomic states in deforming micro-volumes near contact spots that lead to easy stress relaxation by local plastic shears in the vicinity of stress concentrators. In common this effect allows to achieve high wear resistance.
Investigation of surface charge density on solid–liquid interfaces by modulating the electrical double layer
International Nuclear Information System (INIS)
Moon, Jong Kyun; Song, Myung Won; Pak, Hyuk Kyu
A solid surface in contact with water or aqueous solution usually carries specific electric charges. These surface charges attract counter ions from the liquid side. Since the geometry of opposite charge distribution parallel to the solid–liquid interface is similar to that of a capacitor, it is called an electrical double layer capacitor (EDLC). Therefore, there is an electrical potential difference across an EDLC in equilibrium. When a liquid bridge is formed between two conducting plates, the system behaves as two serially connected EDLCs. In this work, we propose a new method for investigating the surface charge density on solid–liquid interfaces. By mechanically modulating the electrical double layers and simultaneously applying a dc bias voltage across the plates, an ac electric current can be generated. By measuring the voltage drop across a load resistor as a function of bias voltage, we can study the surface charge density on solid–liquid interfaces. Our experimental results agree very well with the simple equivalent electrical circuit model proposed here. Furthermore, using this method, one can determine the polarity of the adsorbed state on the solid surface depending on the material used. We expect this method to aid in the study of electrical phenomena on solid–liquid interfaces. (paper)
Surface-plasmon dispersion relation for the inhomogeneous charge-density medium
International Nuclear Information System (INIS)
Harsh, O.K.; Agarwal, B.K.
The surface-plasmon dispersion relation is derived for the plane-bounded electron gas when there is an inhomogeneous charge-density distribution in the plasma. The hydrodynamical model is used. Both cphi and dcphi/dx are taken to be continuous at the surface of the slab, where cphi is the scalar potential. The dispersion relation is compared with the theoretical works of Stern and Ferrell and of Harsh and Agarwal. It is also compared with the observations of Kunz. A dispersion relation for the volume-plasmon oscillations is derived which resembles the well-known relation of Bohm and Pines
Positron study of electron momentum density and Fermi surface in titanium and zirconium
International Nuclear Information System (INIS)
Suzuki, Ryoichi; Osawa, Makoto; Tanigawa, Shoichiro; Matsumoto, Makoto; Shiotani, Nobuhiro.
The three dimensional electron-positron momentum densities have been obtained on Ti and Zr from measurements of two dimensional angular correlation of positron annihilation radiation followed by an image reconstruction technique based on direct Fourier transformation. Augmented-plane wave band structure calculations have been carried out and the results are compared with the experiments. Agreement between the experiment and the theory leads to a conclusion that both Ti and Zr have electron surface sheets which are centered at H and hole surface sheets which are running along the Γ-A axis. (author)
High-Performance Supercapacitor of Functionalized Carbon Fiber Paper with High Surface Ionic and Bulk Electronic Conductivity: Effect of Organic Functional Groups
International Nuclear Information System (INIS)
Suktha, Phansiri; Chiochan, Poramane; Iamprasertkun, Pawin; Wutthiprom, Juthaporn; Phattharasupakun, Nutthaphon; Suksomboon, Montakan; Kaewsongpol, Tanon; Sirisinudomkit, Pichamon; Pettong, Tanut; Sawangphruk, Montree
Highlights: • A supercapacitor of organic functionalized carbon fiber paper (f-CFP) exhibits high areal and volumetric capacitances. • The performance of the supercapacitor depends on the organic functional group on the surface of the f-CFP. • Hydroxyl and carboxylic groups modified on the surface of f-CFP have higher pseudocapacitive property than amide and amine functional groups. • The f-CFP exhibits high surface ionic and bulk electrical conductivities. - Abstract: Although carbon fiber paper (CFP) or nonwovens are widely used as a non-corrosive and conductive substrate or current collector in batteries and supercapacitors as well as a gas diffusion layer in proton exchange membrane fuel cells, the CFP cannot store charges due to its poor ionic conductivity and its hydrophobic surface. In this work, the chemically functionalized CFP (f-CFP) consisting of hydroxyl and carboxylic groups on its surface was produced by an oxidation reaction of CFP in a mixed concentrated acid solution of H 2 SO 4 :HNO 3 (3:1 v/v) at 60 °C for 1 h. Other amide and amine groups modified CFP were also synthesized for comparison using a dehydration reaction of carboxylic modified CFP with ethylenediamine and n-butylamine. Interestingly, it was found that hydroxyl and carboxylic groups modified CFP behave as a pseudocapacitor electrode, which can store charges via the surface redox reaction in addition to electrochemical double layer capacitance. The aqueous-based supercapacitor of f-CFP has high areal, volumetric, and specific energy (49.0 μW.h/cm 2 , 1960 mW.h/L, and 5.2 W.h/Kg) and power (3.0 mW/cm 2 , 120 W/L, and 326.2 W/Kg) based on the total geometrical surface area and volume as well as the total weight of positive and negative electrodes. High charge capacity of the f-CFP stems from high ionic charge and pseudocapacitive behavior due to hydroxyl and carboxylic groups on its surface and high bulk electronic conductivity (2.03 mS/cm) due to 1D carbon fiber paper. The
A new temperature and humidity dependent surface site density approach for deposition ice nucleation
I. Steinke; C. Hoose; O. Möhler; P. Connolly; T. Leisner
Deposition nucleation experiments with Arizona Test Dust (ATD) as a surrogate for mineral dusts were conducted at the AIDA cloud chamber at temperatures between 220 and 250 K. The influence of the aerosol size distribution and the cooling rate on the ice nucleation efficiencies was investigated. Ice nucleation active surface site (INAS) densities were calculated to quantify the ice nucleation efficiency as a function of temperature, humidity and the aerosol ...
Radial Surface Density Profiles of Gas and Dust in the Debris Disk around 49 Ceti
Energy Technology Data Exchange (ETDEWEB)
Hughes, A. Meredith; Lieman-Sifry, Jesse; Flaherty, Kevin M.; Daley, Cail M. [Department of Astronomy, Van Vleck Observatory, Wesleyan University, 96 Foss Hill Drive, Middletown, CT 06459 (United States); Roberge, Aki [Exoplanets and Stellar Astrophysics Laboratory, NASA Goddard Space Flight Center, Code 667, Greenbelt, MD 20771 (United States); Kóspál, Ágnes; Moór, Attila; Ábrahám, Peter [Konkoly Observatory, Research Centre for Astronomy and Earth Sciences, Hungarian Academy of Sciences, P.O. Box 67, 1525 Budapest (Hungary); Kamp, Inga [Kapteyn Astronomical Institute, University of Groningen, Postbus 800, 9700 AV Groningen (Netherlands); Wilner, David J.; Andrews, Sean M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, MS-51, Cambridge, MA 02138 (United States); Kastner, Joel H., E-mail: firstname.lastname@example.com [Rochester Institute of Technology, 54 Lomb Memorial Drive, Rochester, NY 14623 (United States)
We present ∼0.″4 resolution images of CO(3–2) and associated continuum emission from the gas-bearing debris disk around the nearby A star 49 Ceti, observed with the Atacama Large Millimeter/Submillimeter Array (ALMA). We analyze the ALMA visibilities in tandem with the broadband spectral energy distribution to measure the radial surface density profiles of dust and gas emission from the system. The dust surface density decreases with radius between ∼100 and 310 au, with a marginally significant enhancement of surface density at a radius of ∼110 au. The SED requires an inner disk of small grains in addition to the outer disk of larger grains resolved by ALMA. The gas disk exhibits a surface density profile that increases with radius, contrary to most previous spatially resolved observations of circumstellar gas disks. While ∼80% of the CO flux is well described by an axisymmetric power-law disk in Keplerian rotation about the central star, residuals at ∼20% of the peak flux exhibit a departure from axisymmetry suggestive of spiral arms or a warp in the gas disk. The radial extent of the gas disk (∼220 au) is smaller than that of the dust disk (∼300 au), consistent with recent observations of other gas-bearing debris disks. While there are so far only three broad debris disks with well characterized radial dust profiles at millimeter wavelengths, 49 Ceti's disk shows a markedly different structure from two radially resolved gas-poor debris disks, implying that the physical processes generating and sculpting the gas and dust are fundamentally different.
Application of response surface methodology to optimize uranium biological leaching at high pulp density
International Nuclear Information System (INIS)
Fatemi, Faezeh; Arabieh, Masoud; Jahani, Samaneh
The aim of the present study was to carry out uranium bioleaching via optimization of the leaching process using response surface methodology. For this purpose, the native Acidithiobacillus sp. was adapted to different pulp densities following optimization process carried out at a high pulp density. Response surface methodology based on Box-Behnken design was used to optimize the uranium bioleaching. The effects of six key parameters on the bioleaching efficiency were investigated. The process was modeled with mathematical equation, including not only first and second order terms, but also with probable interaction effects between each pair of factors.The results showed that the extraction efficiency of uranium dropped from 100% at pulp densities of 2.5, 5, 7.5 and 10% to 68% at 12.5% of pulp density. Using RSM, the optimum conditions for uranium bioleaching (12.5% (w/v)) were identified as pH = 1.96, temperature = 30.90 C, stirring speed = 158 rpm, 15.7% inoculum, FeSO 4 . 7H 2 O concentration at 13.83 g/L and (NH 4 ) 2 SO 4 concentration at 3.22 g/L which achieved 83% of uranium extraction efficiency. The results of uranium bioleaching experiment using optimized parameter showed 81% uranium extraction during 15 d. The obtained results reveal that using RSM is reliable and appropriate for optimization of parameters involved in the uranium bioleaching process.
Application of response surface methodology to optimize uranium biological leaching at high pulp density
Energy Technology Data Exchange (ETDEWEB)
Fatemi, Faezeh; Arabieh, Masoud; Jahani, Samaneh [NSTRI, Tehran (Iran, Islamic Republic of). Nuclear Fuel Cycle Research School
The aim of the present study was to carry out uranium bioleaching via optimization of the leaching process using response surface methodology. For this purpose, the native Acidithiobacillus sp. was adapted to different pulp densities following optimization process carried out at a high pulp density. Response surface methodology based on Box-Behnken design was used to optimize the uranium bioleaching. The effects of six key parameters on the bioleaching efficiency were investigated. The process was modeled with mathematical equation, including not only first and second order terms, but also with probable interaction effects between each pair of factors.The results showed that the extraction efficiency of uranium dropped from 100% at pulp densities of 2.5, 5, 7.5 and 10% to 68% at 12.5% of pulp density. Using RSM, the optimum conditions for uranium bioleaching (12.5% (w/v)) were identified as pH = 1.96, temperature = 30.90 C, stirring speed = 158 rpm, 15.7% inoculum, FeSO{sub 4} . 7H{sub 2}O concentration at 13.83 g/L and (NH{sub 4}){sub 2}SO{sub 4} concentration at 3.22 g/L which achieved 83% of uranium extraction efficiency. The results of uranium bioleaching experiment using optimized parameter showed 81% uranium extraction during 15 d. The obtained results reveal that using RSM is reliable and appropriate for optimization of parameters involved in the uranium bioleaching process.
Adsorption properties of AlN on Si(111) surface: A density functional study
Yuan, Yinmei; Zuo, Ran; Mao, Keke; Tang, Binlong; Zhang, Zhou; Liu, Jun; Zhong, Tingting
In the process of preparing GaN on Si substrate by MOCVD, an AlN buffer layer is very important. In this study, we conducted density functional theory calculations on the adsorption of AlN molecule on Si(111)-(2 × 2) surface, with the AlN molecule located horizontally or vertically above Si(111) surface at different adsorption sites. The calculations revealed that the lowest adsorption energy was at the N-top-Al-bridge site in the horizontal configuration, with the narrowest band gap, indicating that it was the most preferential adsorption growth status of AlN. In the vertical configurations, N adatom was more reactive and convenient to form bonds with the topmost Si atoms than Al adatom. When the N-end of the AlN molecule was located downward, the hollow site was the preferred adsorption site; when the Al-end was located downward, the bridge site was the most energetically favorable. Moreover, we investigated some electronic properties such as partial density of states, electron density difference, Mulliken populations, etc., revealing the microscale mechanism for AlN adsorption on Si(111) surface and providing theoretical support for adjusting the processing parameters during AlN or GaN production.
Improving energy conversion efficiency for triboelectric nanogenerator with capacitor structure by maximizing surface charge density.
He, Xianming; Guo, Hengyu; Yue, Xule; Gao, Jun; Xi, Yi; Hu, Chenguo
Nanogenerators with capacitor structures based on piezoelectricity, pyroelectricity, triboelectricity and electrostatic induction have been extensively investigated. Although the electron flow on electrodes is well understood, the maximum efficiency-dependent structure design is not clearly known. In this paper, a clear understanding of triboelectric generators with capacitor structures is presented by the investigation of polydimethylsiloxane-based composite film nanogenerators, indicating that the generator, in fact, acts as both an energy storage and output device. Maximum energy storage and output depend on the maximum charge density on the dielectric polymer surface, which is determined by the capacitance of the device. The effective thickness of polydimethylsiloxane can be greatly reduced by mixing a suitable amount of conductive nanoparticles into the polymer, through which the charge density on the polymer surface can be greatly increased. This finding can be applied to all the triboelectric nanogenerators with capacitor structures, and it provides an important guide to the structural design for nanogenerators. It is demonstrated that graphite particles with sizes of 20-40 nm and 3.0% mass mixed into the polydimethylsiloxane can reduce 34.68% of the effective thickness of the dielectric film and increase the surface charges by 111.27% on the dielectric film. The output power density of the triboelectric nanogenerator with the composite polydimethylsiloxane film is 3.7 W m(-2), which is 2.6 times as much as that of the pure polydimethylsiloxane film.
Water adsorption on TiO2 surfaces probed by soft X-ray spectroscopies: bulk materials vs. isolated nanoparticles
Benkoula, Safia; Sublemontier, Olivier; Patanen, Minna; Nicolas, Christophe; Sirotti, Fausto; Naitabdi, Ahmed; Gaie-Levrel, François; Antonsson, Egill; Aureau, Damien; Ouf, François-Xavier; Wada, Shin-Ichi; Etcheberry, Arnaud; Ueda, Kiyoshi; Miron, Catalin
We describe an experimental method to probe the adsorption of water at the surface of isolated, substrate-free TiO2 nanoparticles (NPs) based on soft X-ray spectroscopy in the gas phase using synchrotron radiation. To understand the interfacial properties between water and TiO2 surface, a water shell was adsorbed at the surface of TiO2 NPs. We used two different ways to control the hydration level of the NPs: in the first scheme, initially solvated NPs were dried and in the second one, dry NPs generated thanks to a commercial aerosol generator were exposed to water vapor. XPS was used to identify the signature of the water layer shell on the surface of the free TiO2 NPs and made it possible to follow the evolution of their hydration state. The results obtained allow the establishment of a qualitative determination of isolated NPs' surface states, as well as to unravel water adsorption mechanisms. This method appears to be a unique approach to investigate the interface between an isolated nano-object and a solvent over-layer, paving the way towards new investigation methods in heterogeneous catalysis on nanomaterials. PMID:26462615
Calculation of the flux density of gamma rays above the surface of Venus and the Earth
International Nuclear Information System (INIS)
Surkov, Yu.A.; Manvelyan, O.S.
In this article the authors present the results of calculating the flux density of unscattered gamma rays as a function of height above the surfaces of Venus and the Earth. At each height they calculate the areas which will collect a certain fraction of the gamma rays. The authors calculate the spectra of scattered gamma rays, as well as their integrated fluxes at various heights above the surface of Venus. They consider how the atmosphere will affect the recording of gamma rays. Their results enable them to evaluate the optimal conditions for measuring the gamma-ray fields above the surfaces of Venus and the Earth and to determine the area of the planet which can be investigated in this way. These results are also necessary if they are to determine the elemental composition of the rock from the characteristic recorded spectrum of gamma radiation
Methyl Butanoate Adsorption on MoS2 Surface: A Density Functional Theory Investigation
Directory of Open Access Journals (Sweden)
Prabowo Wahyu Aji Eko
Full Text Available Methyl butanoate is one of the compound which is obtained from triglyceride molecule. It has hydrocarbon components and hence may produce hydrocarbon through hydrodeoxygenation (HDO or decarbonylation (DCO processes. The first step to uncover the underlying mechanism of HDO or DCO is to find the active site of methyl butanoate adsorption over the catalyst. This study attempts to investigate the active site of methyl butanoate adsorption on MoS2 surface. Stable bonding configuration for methyl butanoate adsorption on MoS2 is investigated by using density functional theory (DFT. This investigation consists of geometry optimisation and adsorption energy calculations. The stable configuration of methyl butanoate adsorption on MoS2 surface is found to be on top of Mo atom in Mo-edge surface.
Hierarchical surface patterning of Ni- and Be-free Ti- and Zr-based bulk metallic glasses by thermoplastic net-shaping
Energy Technology Data Exchange (ETDEWEB)
Sarac, Baran, E-mail: firstname.lastname@example.com [IFW Dresden, Institute for Complex Materials, Helmholtzstrasse 20, D-01069 Dresden (Germany); Erich Schmid Institute of Materials Science, Austrian Academy of Sciences (ÖAW), Jahnstrasse 12, A-8700 Leoben (Austria); Bera, Supriya [IFW Dresden, Institute for Complex Materials, Helmholtzstrasse 20, D-01069 Dresden (Germany); Balakin, Sascha [IFW Dresden, Institute for Complex Materials, Helmholtzstrasse 20, D-01069 Dresden (Germany); ETH Zurich, Department of Materials, Metal physics und Technology, Vladimir-Prelog-Weg 4, HCI J 492, 8093 Zürich (Switzerland); Stoica, Mihai [IFW Dresden, Institute for Complex Materials, Helmholtzstrasse 20, D-01069 Dresden (Germany); Politehnica University of Timisoara, P-ta Victoriei 2, RO-300006 Timisoara (Romania); Fraunhofer Institute for Ceramic Technologies and Systems IKTS, Winterbergstrasse 28, 01277, Dresden (Germany); Calin, Mariana, E-mail: email@example.com [IFW Dresden, Institute for Complex Materials, Helmholtzstrasse 20, D-01069 Dresden (Germany); Eckert, Jürgen [Erich Schmid Institute of Materials Science, Austrian Academy of Sciences (ÖAW), Jahnstrasse 12, A-8700 Leoben (Austria); Department Materials Physics, Montanuniversität Leoben, Jahnstrasse 12, A-8700 Leoben (Austria)
In order to establish a strong cell-material interaction, the surface topography of the implant material plays an important role. This contribution aims to analyze the formation kinetics of nickel and beryllium-free Ti- and Zr-based Bulk Metallic Glasses (BMGs) with potential biomedical applications. The surface patterning of the BMGs is achieved by thermoplastic net-shaping (TPN) into anisotropically etched cavities of silicon chips. The forming kinetics of the BMG alloys is assessed by thermal and mechanical measurements to determine the most suitable processing temperature and time, and load applied. Array of pyramidal micropatterns with a tip resolution down to 50 nm is achievable for the Zr-BMG, where the generated hierarchical features are crucial for surface functionalization, acting as topographic cues for cell attachment. The unique processability and intrinsic properties of this new class of amorphous alloys make them competitive with the conventional biomaterials. - Highlights: • Micro to nano-scale hierarchical surface patterns achieved by TPN of BMGs • Ni- and Be-free Zr-/Ti-BMGs with different GFA compared in terms of flow kinetics • Correlation between filling depths of Zr- and Ti-BMGs best described by formability • Multi-scale hierarchical patterning envisaged to facilitate BMG-cell interaction.
Correlation between bulk- and surface chemistry of Cr-tanned leather and the release of Cr(III) and Cr(VI).
Hedberg, Yolanda S; Lidén, Carola; Odnevall Wallinder, Inger
About 1-3% of the adult general population in Europe is allergic to chromium (Cr). The assessment of the potential release of Cr(III) and Cr(VI) from leather is hence important from a human health and environmental risk perspective. The Cr(VI) content in leather was recently restricted in the European Union. The aim of this study was to assess possible correlations between the bulk and surface chemistry of leather, released Cr(III) and Cr(VI), and capacities of co-released leather specific species to reduce and complex released Cr. Four differently tanned leathers were characterized by scanning electron microscopy with energy dispersive spectroscopy, X-ray photoelectron spectroscopy, attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, and the diphenylcarbazide colorimetric method. Their characteristics were compared with results on Cr(III) and Cr(VI) release into artificial sweat (ASW, pHleather-specific species were shown to reduce Cr(VI), both in ASW and in PB. Their reduction capacities correlated with findings of the surface content of Cr and of released Cr. Leather samples without this capacity, and with less aromatic surface groups visible by ATR-FTIR, revealed Cr(VI) both at the surface and in solution (PB). Copyright © 2014 The Authors. Published by Elsevier B.V. All rights reserved.