A NEW EMBEDDED-ATOM POTENTIAL FOR METALS AND ITS APPLICATIONS

被引：3
作者：
NIE, XL
ZHONG, LP
WANG, RH
YE, YY
ZHANG, WQ
ZHOU, YM
WANG, DS
机构：
[1] WUHAN UNIV, DEPT PHYS, WUHAN 430072, PEOPLES R CHINA
[2] WUHAN UNIV, CTR INSTRUMENTAL ANAL, WUHAN 430072, PEOPLES R CHINA
来源：
SOLID STATE COMMUNICATIONS | 1995年 / 94卷 / 05期
关键词：
EAM; STACKING FAULT ENERGY; VACANCY FORMATION ENERGY;
D O I：
10.1016/0038-1098(95)00089-5
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Analytic expression for embedded-atom potentials is extended to varieties of cubic and hexagonal materials. These pair potentials are computationally simple and rather accurate. The basic equations are developed and applied to metals and diamond which exhibit different types of bonding. The expressions are used to calculate the vacancy formation energy for bcc Fe and stacking fault energies for several fee metals. The results are in good agreement with the experimental findings.
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页码：359 / 362
页数：4
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