长方体相提高Mg-3Gd-0.6Zr合金塑性的实验与第一性原理计算

IF 2.2 4区材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Technology Pub Date : 2023-03-06 DOI:10.1080/02670836.2023.2184577

Qiaowang Chen, Mingguang Wang, Yixuan Jiang, Xiang Wu, Shan Jiang, Xihao Chen, W. Zhou, Yanzhi Yang, Zhaoying Xu

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引用次数: 0

摘要

设计了Mg-3Gd-0.6Zr铸造合金，研究了长方体相对合金力学性能的影响。长方体相的形态与Gd原子和H原子沿方向形成的定向共价键有关。通过设计的退火处理可以消除长方体相，同时不使晶粒粗化。铸态合金的塑性比退火合金高20%左右。长方体相在第一性原理计算、氢脆和晶体缺陷三个方面提高了塑性。

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Improved ductility of Mg–3Gd–0.6Zr alloy by cuboid-shaped phase: experiments and first-principle calculations

A casting Mg–3Gd–0.6Zr alloy was designed to evaluate the effect of cuboid-shaped phase on its mechanical properties. The morphology of cuboid-shaped phase was correlated with the directional covalent bonding between Gd atoms and H atoms along <100 > directions. The cuboid-shaped phase can be eliminated by a designed annealing treatment, without grain coarsening simultaneously. The ductility of as-cast alloy is about 20% higher than that of the annealed one. The improvement of ductility was caused by cuboid-shaped phase in three aspects: first-principle calculations, hydrogen embrittlement and crystal imperfections.

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来源期刊

Materials Science and Technology 工程技术-材料科学：综合

CiteScore

2.70

自引率

5.60%

发文量

审稿时长

3 months

期刊介绍：《Materials Science and Technology》（MST） is an international forum for the publication of refereed contributions covering fundamental and technological aspects of materials science and engineering.