Embedded atom potentials in fcc and bcc metals

被引：81

作者：

Doyama, M ^{[1
]}

Kogure, Y ^{[1
]}

机构：

[1] Teikyo Univ Sci & Technol, Yamanashi 4090193, Japan

来源：

COMPUTATIONAL MATERIALS SCIENCE | 1999年 / 14卷 / 1-4期

关键词：

D O I：

10.1016/S0927-0256(98)00076-7

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A new embedded atom potential has been proposed in this paper. The potential is expressed by simple functions and is applicable to the molecular dynamics simulations of large atomic systems. The potential parameters are determined from the experimental data using the cohesive energy, Born stability, elastic constants, C-11, C-12 and C-44, the formation energy of a vacancy. In case of fee the stacking fault energy is also used to fit parameters. The potential functions for copper, silver and gold for fee metals and for bcc metals Nb, Ta and Va are presented. (C) 1999 Published by Elsevier Science B.V. All rights reserved.

引用

页码：80 / 83

页数：4

共 5 条

[1] SIMPLE N-BODY POTENTIALS FOR THE NOBLE-METALS AND NICKEL [J].