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Title: Molecular dynamics modelling of solidification in metals

Molecular dynamics modeling is used to study the solidification of metals at high pressure and temperature. Constant pressure MD is applied to a simulation cell initially filled with both solid and molten metal. The solid/liquid interface is tracked as a function of time, and the data are used to estimate growth rates of crystallites at high pressure and temperature in Ta and Mg.
Authors:
; ;  [1]
  1. Lawrence Livermore National Lab., CA (United States)
Publication Date:
OSTI Identifier:
332727
Report Number(s):
SAND-98-1591; CONF-9709141-PROC.
ON: DE99000778; TRN: 99:005137
DOE Contract Number:
W-7405-ENG-48
Resource Type:
Conference
Resource Relation:
Conference: 5. joint Russian-American computational mathematics conference, Albuquerque, NM (United States), 2-5 Sep 1997; Other Information: PBD: [1997]; Related Information: Is Part Of Proceedings of the 5. joint Russian-American computational mathematics conference; PB: 312 p.
Research Org:
Sandia National Labs., Albuquerque, NM (United States)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 99 MATHEMATICS, COMPUTERS, INFORMATION SCIENCE, MANAGEMENT, LAW, MISCELLANEOUS; TANTALUM; SOLIDIFICATION; MOLECULAR DYNAMICS METHOD; TIME DEPENDENCE; CRYSTAL GROWTH; MAGNESIUM; MATHEMATICAL MODELS