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A Review of Ab Initio Calculation on Lattice Distortion in High-Entropy Alloys

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Abstract

Lattice distortion is one of the four core effects responsible for the unprecedented mechanical behaviors of high-entropy alloys (HEAs). Lattice distortion in HEAs has been investigated in experiments and estimated in theory. In this review, we focus on the lattice distortion based on available ab initio calculations. The degree of lattice distortion and its influence on the ground-state property, local magnetic moments, phase stability, and mechanical performance are reviewed in single-phase high-entropy alloys.

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (Grant Nos. 51771015, U1804123), State Key Lab of Advanced Metals and Materials (Grant No. 2018-ZD01), the Science Challenge Project (Grant No. TZ2018002), and the fundamental research funds for the Central Universities (Grant No. FRF-TP-18-013A3).

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  1. Institute for Applied Physics, University of Science and Technology Beijing, Beijing, 100083, China

    Huijuan Ge & Fuyang Tian

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  1. Huijuan Ge
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Correspondence to Fuyang Tian.

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Ge, H., Tian, F. A Review of Ab Initio Calculation on Lattice Distortion in High-Entropy Alloys. JOM 71, 4225–4237 (2019). https://doi.org/10.1007/s11837-019-03777-1

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