Effects of Y solutes on the activation of the {1121}(1126) deformation twinning in MgY solid solution alloys

doi:10.1016/j.actamat.2024.120648

IMR OpenIR

	Effects of Y solutes on the activation of the {1121}(1126) deformation twinning in MgY solid solution alloys
	Xiao, Jianwei 1,2; Gao, Junjie 1; Li, Songwei 1; Wang, Rui 1; Deng, Chuang 3; Zhu, Yuntian 1,4; Wu, Zhaoxuan 1,4
通讯作者	Wu, Zhaoxuan(zhaoxuwu@cityu.edu.hk)
	2025-02-15
发表期刊	ACTA MATERIALIA
ISSN	1359-6454
卷号	285 页码:17
摘要	The {1121}(112 6 ) deformation twin is common in nominally pure HCP Ti, Zr, Re, Co, but not in Mg. Rareearth (RE) solutes such as Y and Gd at low atomic concentrations, however, can activate this twin mode and make it competitive to the regular {1012}(101 1 ) extension twin in Mg. Previously models have not explicitly revealed the role of RE solutes on twinning and the RE-effects remain poorly understood. Using a reduced-constraint (RC) slip path, DFT calculations and two newly-developed interatomic potentials for MgY and MgAl, we reveal the physical origin of the RE solute effects inactivating the {1121}(112 6 ) twin in MgY alloys with random and short range order solute states. The RC-path shows that localized slip in the ( 11 26) twinning direction simultaneously drives shear and ( 1100 )-direction shuffle displacements on the corrugated {1 1 2 1} twinning plane. The shuffle displacements are essential to reverse the asymmetry of {1100} atom-planes to satisfy the twin symmetry. However, such shuffle displacements are insufficient in pure Mg or MgAl, leaving twin nucleation to the multi-layer slip path with high energy barriers. Y-solutes are able to enhance the slip-driven shuffling to levels sufficient to reverse the {1 1 0 0} atom-planes asymmetry, leading to spontaneous nucleation of multi-layer twin embryo with reduced energy barriers lower than that for the competing {1012}(101 1 ) extension twin in Mg. The RC-slip path and {1121}(112 6 ) twin nucleation is directly demonstrated in atomistic simulations of a blunted cracks under mode-II loading. This slip driven, solute-modulated twin nucleation mechanism is expected to be general across all HCP metals and alloys.
关键词	Mg rare earth alloys Deformation twinning Nucleation mechanism Density-functional theory calculations
资助者	National Key R&D Program of China ; Research Grants Council, Hong Kong SAR ; CityU Donations for Research Projects ; Strategic Research Grant, China ; National Natural Science Foundation of China ; Hong Kong Institute for Advanced Study, City University of Hong Kong
DOI	10.1016/j.actamat.2024.120648
收录类别	SCI
语种	英语
资助项目	National Key R&D Program of China[2021YFA1200202] ; Research Grants Council, Hong Kong SAR[21205019] ; Research Grants Council, Hong Kong SAR[11217522] ; Research Grants Council, Hong Kong SAR[11216423] ; CityU Donations for Research Projects[9229077] ; Strategic Research Grant, China[CityU 11219721] ; National Natural Science Foundation of China[51931003] ; Hong Kong Institute for Advanced Study, City University of Hong Kong[9360157]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:001391204000001
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/180814
专题	中国科学院金属研究所
通讯作者	Wu, Zhaoxuan
作者单位	1.City Univ Hong Kong, Dept Mat Sci & Engn, Hong Kong, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China 3.Univ Manitoba, Dept Mech Engn, Winnipeg, MB R3T 5V6, Canada 4.City Univ Hong Kong, Hong Kong Inst Adv Study, Hong Kong, Peoples R China
推荐引用方式 GB/T 7714	Xiao, Jianwei,Gao, Junjie,Li, Songwei,et al. Effects of Y solutes on the activation of the {1121}(1126) deformation twinning in MgY solid solution alloys[J]. ACTA MATERIALIA,2025,285:17.
APA	Xiao, Jianwei.,Gao, Junjie.,Li, Songwei.,Wang, Rui.,Deng, Chuang.,...&Wu, Zhaoxuan.(2025).Effects of Y solutes on the activation of the {1121}(1126) deformation twinning in MgY solid solution alloys.ACTA MATERIALIA,285,17.
MLA	Xiao, Jianwei,et al."Effects of Y solutes on the activation of the {1121}(1126) deformation twinning in MgY solid solution alloys".ACTA MATERIALIA 285(2025):17.