COMPUTER STUDY OF THE BCC REVERSIBLE FCC STRUCTURE CHANGE BY HOMOGENEOUS DEFORMATIONS

被引:14
作者
BEAUCHAMP, P
VILLAIN, JP
机构
来源
JOURNAL DE PHYSIQUE | 1983年 / 44卷 / 09期
关键词
STRUCTURAL ANALYSIS - Computer Simulation;
D O I
10.1051/jphys:019830044090111700
中图分类号
学科分类号
摘要
Energy variations of a crystal submitted to various homogeneous deformations which can transform a bcc into fcc structure (or a fcc into a bcc) are calculated with emphasis on the choice of the pair potential which must ensure mechanical stability of both structures. In the present analysis three potentials are used which satisfy this condition.
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页码:1117 / 1130
页数:14
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