Role of configurational entropy in body-centred cubic or face-centred cubic phase formation in high entropy alloys

被引：52

作者：

Anand, G. ^{[1
]}

Goodall, R. ^{[1
]}

Freeman, Colin L. ^{[1
]}

机构：

[1] Univ Sheffield, Dept Mat Sci & Engn, Sheffield S1 3JD, S Yorkshire, England

来源：

SCRIPTA MATERIALIA | 2016年 / 124卷

基金：

英国工程与自然科学研究理事会;

关键词：

High entropy alloys; Phase transformations; Molecular Dynamics (MD); Statistical mechanics; Thermodynamics; MECHANICAL-PROPERTIES; MICROSTRUCTURE; DECOMPOSITION; STABILITY; EVOLUTION;

D O I：

10.1016/j.scriptamat.2016.07.001

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

This study examines the comparative phase stability of transition and late transition element based high entropy alloys in body-centred cubic (BCC) or face-centred cubic (FCC) forms using a combined classical molecular dynamics and statistical mechanics based approach. Multi-configurational sampling was carried out using a hybrid genetic algorithm-molecular dynamics (GA-MD) based method. The calculations demonstrate that comparative BCC or FCC phase stability is influenced by configurational entropy. The present study also provides a theoretical explanation of the recently reported occurrence of BCC phase in CoCrFeNi HEA, where the high temperature structure may be retained. (C) 2016 Elsevier Ltd. All rights reserved.

引用

页码：90 / 94

页数：5

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