Phase stability and distortion in high-entropy oxides

被引：201
|
作者：
Anand, G. [1 ]
Wynn, Alex P. [1 ]
Handley, Christopher M. [1 ]
Freeman, Colin L. [1 ]
机构：
[1] Univ Sheffield, Dept Mat Sci & Engn, Mappin St, Sheffield S1 3JD, S Yorkshire, England
来源：
ACTA MATERIALIA | 2018年 / 146卷
基金：
英国工程与自然科学研究理事会;
关键词：
High-entropy solid solution; Thermodynamics; Distortion; Functional properties; Oxides; CHEMISTRY; ALLOYS;
D O I：
10.1016/j.actamat.2017.12.037
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The present investigation demonstrates how configurational entropy stabilises rock-salt type single phase multi-component solid solution oxides. Classical simulations have been used to extensively sample the configurational landscape of such oxides using both random and genetic algorithm sampling strategies. The thermodynamic properties including the enthalpy and free energy of various oxide mixes have been calculated to show the influence of the chemical identity of the oxides on the phase stability. Additionally, a distance analysis between all the cation-cation and cation-anion pairs has been carried out in order to quantify the distortion in the lattice. The correlation between the multiplicity of cations in such systems with consequent enthalpy and configurational entropy has been enumerated and its relation with emergent distortion has been analysed. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
引用
收藏
页码：119 / 125
页数：7
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