Elasticity of high-entropy alloys from ab initio theory

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 vario...

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Bibliographic Details
Published inJournal of materials research Vol. 33; no. 19; pp. 2938 - 2953
Main Authors Huang, Shuo, Tian, Fuyang, Vitos, Levente
Format Journal Article
LanguageEnglish
Published New York, USA Cambridge University Press 14.10.2018
Springer International Publishing
Springer Nature B.V
Subjects
alloy
Alloying
Alloys
Applied and Technical Physics
Approximation
Biomaterials
Chemical properties
Computation theory
Computational model
Debye temperature
Elastic anisotropy
Elastic moduli
Elastic properties
Elasticity
Energy
Entropy
High entropy alloys
Inorganic Chemistry
Investigations
Invited Review
Materials Engineering
Materials research
Materials Science
Mechanical properties
Metal fatigue
Methods
Micromechanical property
Modulus of elasticity
Multiprincipal elements
Nanotechnology
Organic chemistry
Parameters
Physical properties
Principles
salloy
Single crystal elastic constants
Single crystals
Solid solutions
Specific heat
Temperature
Theoretical investigations
Theoretical research
Theory
alloy
elastic properties
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Summary: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.
Bibliography:ObjectType-Article-1
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ISSN:0884-2914
2044-5326
2044-5326
DOI:10.1557/jmr.2018.237