Theoretical Modeling of Silicate Liquids and Solids at High Pressure and Temperature
{'Code': '06030204', 'Directorate': {'Abbreviation': 'GEO', 'LongName': 'Directorate For Geosciences'}, 'Division': {'Abbreviation': 'EAR', 'LongName': 'Division Of Earth Sciences'}}
{'SignBlockName': 'Michael A. Mayhew', 'PO_EMAI': None, 'PO_PHON': None}
The PI will model the structural and thermodynamic                         properties of silicate liquids and solids.  Liquid simulations                  will include Monte Carlo and integral equation approaches, with                 covalent potentials deduced from molecular orbital calculations                 and spectroscopic as well as thermodynamic data.  Properties to                 be studies include the relationship between glass and liquid                    structure, Raman and IR spectra of compressed silica glass,                     equation of state of silicate liquids, and the effect of pressure               induced coordination changes on the compressibility.  Crystalline               phases of selected oxides and silicates will be modelled with                   Hamiltonians that include many body effects.  Parametric many                   body potentials will be developed in conjunction with numerical                 models based on extensions of existing electron gas models.  The                potentials will be used to calculate the elastic constants and                  phase stability as functions of pressure and temperature.  The                  parametric models will also be used to study relationships among                thermal properties and other more easily accessible properties,                 such as compressibility.
{'FirstName': 'Mark', 'LastName': 'Bukowinski', 'PI_MID_INIT': 'S', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Mark S Bukowinski', 'EmailAddress': 'markb@socrates.berkeley.edu', 'NSF_ID': '000457559', 'StartDate': '02/15/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of California-Berkeley', 'CityName': 'BERKELEY', 'ZipCode': '947101749', 'PhoneNumber': '5106433891', 'StreetAddress': '1608 4TH ST STE 201', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'California', 'StateCode': 'CA', 'CONGRESSDISTRICT': '12', 'CONGRESS_DISTRICT_ORG': 'CA12', 'ORG_UEI_NUM': 'GS3YEVSS12N6', 'ORG_LGL_BUS_NAME': 'REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE', 'ORG_PRNT_UEI_NUM': None}
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[{'Code': '1573', 'Text': 'Petrology and Geochemistry'}, {'Code': '1574', 'Text': 'Geophysics'}]
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