Segregation potency at {10(1)over-bar2} and {10(1)over-bar1} twin boundaries in Mg with Zn and Ca co-addition: A first-principles study

被引：6
|
作者：
Wang, Cheng [1 ,2 ,3 ,4 ]
Ju, Hong [2 ,3 ]
Li, Mei-Xuan [1 ,2 ,3 ,4 ]
You, Jiang [2 ,3 ]
Meng, Zhao-Yuan [2 ,3 ]
Zha, Min [1 ,2 ,3 ,4 ]
Wang, Hui-Yuan [1 ,2 ,3 ,4 ]
机构：
[1] Jilin Univ, State Key Lab Automot Simulat & Control, Changchun, Peoples R China
[2] Jilin Univ, Minist Educ, Key Lab Automobile Mat, Nanling Campus,5988 Renmin St, Changchun 130025, Peoples R China
[3] Jilin Univ, Sch Mat Sci & Engn, Nanling Campus,5988 Renmin St, Changchun 130025, Peoples R China
[4] Jilin Univ, Int Ctr Future Sci, Changchun 130012, Peoples R China
来源：
MATERIALIA | 2021年 / 15卷
基金：
中国国家自然科学基金;
关键词：
Magnesium alloys; First-principles calculation; Interface segregation; Twinning;
D O I：
10.1016/j.mtla.2021.101031
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The co-segregation behaviors of Zn and Ca at {10 (1) over bar2} and {10 (1) over bar1} twin boundaries (TBs) were investigated by analyzing the segregation energy and strain field on atomic-scale structures through the first-principles method. We pinpointed the co-segregation patterns at TBs with larger Ca atoms and smaller Zn atoms occupying the extension and compression sites, respectively. The enhanced propensity for TB segregation was found in the studied Mg-Zn-Ca alloys with increasing Zn contents. Furthermore, strain field analysis was performed to demonstrate the role of elastic strain relief in promoting TB segregation. The results are conducive to selecting multiple elements that may tailor twin properties and inspiring for the development of new high-performance Mg alloys.
引用
收藏
页数：6
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