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Elasticity of high-entropy alloys from ab initio theory

Published online by Cambridge University Press:  01 August 2018

Shuo Huang ,
Fuyang Tian  and
Levente Vitos
Shuo Huang*
Affiliation:
Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-100 44, Sweden
Fuyang Tian
Affiliation:
Institute for Applied Physics, University of Science and Technology Beijing, Beijing 100083, China; and Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, University of Science and Technology Beijing, Beijing 100083, China
Levente Vitos
Affiliation:
Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-100 44, Sweden; Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Uppsala SE-75120, Sweden; and Wigner Research Centre for Physics, Institute for Solid State Physics and Optics, Budapest H-1525, Hungary
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

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.

Keywords

alloyelastic properties
Type
Invited Review
Information
Journal of Materials Research , Volume 33 , Issue 19: Focus Issue: Fundamental Understanding and Applications of High-Entropy Alloys , 14 October 2018 , pp. 2938 - 2953
Copyright
Copyright © Materials Research Society 2018 

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Footnotes

This section of Journal of Materials Research is reserved for papers that are reviews of literature in a given area.

References

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