Elasticity of high-entropy alloys from ab initio theory

被引:34
作者
Huang, Shuo [1 ]
Tian, Fuyang [2 ,3 ]
Vitos, Levente [1 ,4 ,5 ]
机构
[1] Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden
[2] Univ Sci & Technol Beijing, Inst Appl Phys, Beijing 100083, Peoples R China
[3] Univ Sci & Technol Beijing, Beijing Key Lab Magnetophotoelect Composite & Int, Beijing 100083, Peoples R China
[4] Uppsala Univ, Div Mat Theory, Dept Phys & Astron, SE-75120 Uppsala, Sweden
[5] Wigner Res Ctr Phys, Inst Solid State Phys & Opt, H-1525 Budapest, Hungary
基金
瑞典研究理事会; 中国国家自然科学基金; 匈牙利科学研究基金会;
关键词
COHERENT-POTENTIAL APPROXIMATION; PRINCIPAL-ELEMENT ALLOYS; SOLID-SOLUTION PHASE; MECHANICAL-PROPERTIES; 1ST-PRINCIPLES THEORY; MAGNETIC TRANSITION; TENSILE PROPERTIES; MICROSTRUCTURE; MULTICOMPONENT; DESIGN;
D O I
10.1557/jmr.2018.237
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
High-entropy alloys (HEAs) consisting of multiprincipal elements have demonstrated many interesting structural, physical, and chemical properties for a wide range of applications. This article is a review of the current theoretical research on the elastic parameters of HEAs. The performance of various ab initio-based computational models (effective medium and supercell approaches) is carefully analyzed. Representative theoretical elastic parameters of different HEAs, including single-crystal elastic constants, polycrystalline elastic moduli, elastic anisotropy, and Debye temperature, are presented and discussed. For comparison, simple mixtures of the elastic moduli of pure elements are calculated and contrasted with the ab initio results. The present work provides a reference for future theoretical investigation of the micromechanical properties of systems based on HEAs.
引用
收藏
页码:2938 / 2953
页数:16
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