SCRIPTA MATERIALIA | 卷:124 |
Role of configurational entropy in body-centred cubic or face-centred cubic phase formation in high entropy alloys | |
Article | |
Anand, G.1  Goodall, R.1  Freeman, Colin L.1  | |
[1] Univ Sheffield, Dept Mat Sci & Engn, Sheffield S1 3JD, S Yorkshire, England | |
关键词: High entropy alloys; Phase transformations; Molecular Dynamics (MD); Statistical mechanics; Thermodynamics; | |
DOI : 10.1016/j.scriptamat.2016.07.001 | |
来源: Elsevier | |
【 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.
【 授权许可】
Free
【 预 览 】
Files | Size | Format | View |
---|---|---|---|
10_1016_j_scriptamat_2016_07_001.pdf | 1289KB | download |