FeAlNiCrMn高熵合金结构稳定性和力学性能的第一性原理计算

doi:10.11896/cldb.21040230

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Abstract The effects of pressure on the structure, elastic constants, ductile-brittleness and elastic anisotropy of FeAlNiCrMn high entropy alloy were studied by first principles. The influence of pressure on the structural stability of the alloy was investigated by calculating the lattice constant, binding energy and density of states of the alloy with the pressure-inducing. The toughness and brittleness of the alloy in the pressure range of 0—100 GPa were studied by B/G ratio, Poisson's ratio ν and Cauchy pressure. As the pressure increases, the modulus, melting point and hardness of the alloy will increase gradually. Finally, the transition process of the alloy from anisotropy to isotropy with the increase of pressure had been analyzed in detailed.

Key words： first principles high entropy alloy pressure structural stability anisotropic

Published: Online: 2022-07-26

CLC number:

TG139

Fund:Fundamental Research Program of Shanxi Province (202103021224267).

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	Articles by authors
	CHANG Chao
	ZHANG Hui
	LAI Yuan
	LI Liang
	BAI Xiaoxu

Cite this article:

CHANG Chao,ZHANG Hui,LAI Yuan, et al. First Principles Calculation of Structural Stability and Mechanical Properties of FeAlNiCrMn High Entropy Alloy[J]. Materials Reports, 2022, 36(14): 21040230-5.

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http://www.mater-rep.com/EN/10.11896/cldb.21040230 OR http://www.mater-rep.com/EN/Y2022/V36/I14/21040230

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