A semi-empirical atomic potential for the Fe-Cr binary system

被引：38
作者：
Lee, BJ
Shim, JH
Park, HM
机构：
[1] Korea Res Inst Stand & Sci, Mat Evaluat Ctr, Taejon 305600, South Korea
[2] Korea Inst Sci & Technol, Nano Mat Res Ctr, Seoul 136791, South Korea
来源：
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2001年 / 25卷 / 04期
关键词：
D O I：
10.1016/S0364-5916(02)00005-6
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
A semi-empirical atomic potential, the second nearest-neighbor MEAM, has been applied to obtain an atomic potential for the Fe-Cr system, based on the previously developed potentials for pure Fe and Cr. The procedure for the determination of potential parameter values and the performance of the assessed alloy potential were also presented. It was shown that the potential describes the basic thermodynamic property and alloy behavior in the bcc solid solution successfully, as well as many physical properties of pure Fe and Cr. The limit in the applicability of the present potential is also discussed. (C) 2002 Published by Elsevier Science Ltd.
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页码：527 / 534
页数：8
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