Effects of the Rare Earth Y on the Structural and Tensile Properties of Mg-based Alloy: A First-Principles Study

Author:

Gao Yan,Wu Chuang,Feng Wenjiang,He Yan,He Haisheng,Yang Jingyu,Chen Xiuyan

Abstract

In order to investigate the effect of the rare earth element Y on the strengthening potency of magnesium alloys and its strengthening mechanism under tension. In this paper, the solid solution structures with Y atom content of 1.8 at.% and 3.7 at.% were built, respectively, and their cohesive energies and stress-strain curve were calculated in the strain range of 0–20%. The calculation results of the cohesive energies showed that the structure of element Y is more stable with the increase of strains. The calculation results of stress and strain showed that Y element can improve the yield strength and tensile strength of the Mg-based alloy, and the strengthening effect is better when the Y content is 3.7 at.%.

Funder

The Scientific Research Project of Liaoning Provincial Department of Education

Publisher

MDPI AG

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science,General Chemical Engineering

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