Molecular Dynamic Simulation of Segregation in Rapidly      Solidifying Silicon
{'Code': '07020000', 'Directorate': {'Abbreviation': 'ENG', 'LongName': 'Directorate For Engineering'}, 'Division': {'Abbreviation': 'CBET', 'LongName': 'Div Of Chem, Bioeng, Env, & Transp Sys'}}
{'SignBlockName': 'Robert M. Wellek', 'PO_EMAI': None, 'PO_PHON': None}
The rapid solidification of silicon containing impurities will be               studied via molecular dynamics simulations.  The melt/solid interface           moves at a rate of meters per second, so that local equilibrium is not          attained.  Properties such as the so-called segregation coefficient             are no longer constants in these conditions.  An understanding of many          aspects of rapid solidification, such as impurity-host interactions,            requires atomic-scale modeling of multicomponent systems using three-           body forces between atoms.  The proposed work will use the Stillinger-          Weber potential and similar interparticle interactions.  Particular             attention will be given to impurity trapping, solute diffusivity, and           trapping mechanisms.                                                                                                                                            Results of atomic-scale simulations will be important in evaluating             different possible models of solute trapping.  They will thereby                improve continuum-scale modeling of solute segregation.  Solute                 segregation during rapid solidification is central to control                   formation of meta-stable alloys with novel corrosion resistance and             catalytic properties, as are produced, for example, with laser                  annealing.
{'FirstName': 'Lyle', 'LastName': 'Ungar', 'PI_MID_INIT': 'H', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Lyle H Ungar', 'EmailAddress': 'ungar@central.cis.upenn.edu', 'NSF_ID': '000448060', 'StartDate': '06/15/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Pennsylvania', 'CityName': 'PHILADELPHIA', 'ZipCode': '191046205', 'PhoneNumber': '2158987293', 'StreetAddress': '3451 WALNUT ST STE 440A', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Pennsylvania', 'StateCode': 'PA', 'CONGRESSDISTRICT': '03', 'CONGRESS_DISTRICT_ORG': 'PA03', 'ORG_UEI_NUM': 'GM1XX56LEP58', 'ORG_LGL_BUS_NAME': 'TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE', 'ORG_PRNT_UEI_NUM': 'GM1XX56LEP58'}
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{'Code': '1414', 'Text': 'INTERFAC PROCESSES & THERMODYN'}
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