Modified embedded-atom method interatomic potentials for the Co-Cr, Co-Fe, Co-Mn, Cr-Mn and Mn-Ni binary systems

被引：85

作者：

Choi, Won-Mi ^{[1
]}

Kim, Yongmin ^{[1
]}

Seol, Donghyuk ^{[1
]}

Lee, Byeong-Joo ^{[1
]}

机构：

[1] POSTECH, Dept Mat Sci & Engn, Pohang 790784, South Korea

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2017年 / 130卷

基金：

新加坡国家研究基金会;

关键词：

2NN MEAM; Interatomic potential; High entropy alloy; Molecular dynamics; HIGH-ENTROPY ALLOYS; THERMODYNAMIC EVALUATION; PHASE-STABILITY; TRANSFORMATION; TRANSITION; ANTIFERROMAGNETISM; MICROSTRUCTURE; DISORDER; ELEMENTS; ORDER;

D O I：

10.1016/j.commatsci.2017.01.002

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Interatomic potentials for the Co-Cr, Co-Fe, Co-Mn, Cr-Mn and Mn-Ni binary systems have been developed in the framework of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials describe various fundamental alloy behaviors (structural, elastic and thermodynamic behavior of solution and compound phases), mostly in reasonable agreements with experimental data or first-principles calculations. The potentials can be utilizdd to complete the interatomic potential for the CoCrFeMnNi alloy and to investigate the atomic scale physical metallurgy of high entropy alloys. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：121 / 129

页数：9

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