Atomic-level structural identification for prediction of localized shear deformation in metallic glasses

doi:10.1016/j.ijsolstr.2020.01.012

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	Atomic-level structural identification for prediction of localized shear deformation in metallic glasses
	Shi RH(史荣豪)1,2; Xiao P(肖攀)1; Yang R(杨荣)1; Bai YL(白以龙)1
刊名	INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
	2020-05-15
卷号	191 页码:363-369
关键词	Metallic glasses Shear transformation zones Nonaffine displacement Molecular simulations Dynamical matrix
ISSN号	0020-7683
DOI	10.1016/j.ijsolstr.2020.01.012
通讯作者	Xiao, Pan(xiaopan@lnm.imech.ac.cn)
英文摘要	Unlike obviously topological defects in crystals, "defect" identification in metallic glasses (MGs) is still controversial and under investigation. Based on molecular simulations and analysis of MG samples, a structural parameter related to the Laplacian of local equivalent stiffness is proposed for prediction of localized shear deformation in MGs. It is found that local regions with the parameter of positive and relatively large value represent several particular modes of "stiffness valleys" in initial configuration which will strengthen local shear deformation and lead to the formation of shear transformation zones (STZs). More than 80% of the locations where STZs are formed in six types of MG samples under athermal quasi-static shear deformation match well with the regions predicted by the parameter calculated from initial configuration of the samples. The parameter not only reveals the relationship among local heterogeneity, nonaffine displacement, and shear localization, but also provides an efficient way for predicting the activation of STZs in MGs. (C) 2020 Elsevier Ltd. All rights reserved.
分类号	一类/力学重要期刊
资助项目	National Natural Science Foundation of China[11790292] ; National Natural Science Foundation of China[11672298] ; National Natural Science Foundation of China[11432014] ; Strategic Priority Research Program (B) of the Chinese Academy of Sciences[XDB22040501]
WOS关键词	PLASTIC-DEFORMATION ; BEHAVIOR
WOS研究方向	Mechanics
语种	英语
WOS记录号	WOS:000526811800029
资助机构	National Natural Science Foundation of China ; Strategic Priority Research Program (B) of the Chinese Academy of Sciences
其他责任者	Xiao, Pan
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/81906]
专题	力学研究所_非线性力学国家重点实验室
作者单位	1.Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China; 2.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Shi RH,Xiao P,Yang R,et al. Atomic-level structural identification for prediction of localized shear deformation in metallic glasses[J]. INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES,2020,191:363-369.
APA	史荣豪,肖攀,杨荣,&白以龙.(2020).Atomic-level structural identification for prediction of localized shear deformation in metallic glasses.INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES,191,363-369.
MLA	史荣豪,et al."Atomic-level structural identification for prediction of localized shear deformation in metallic glasses".INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES 191(2020):363-369.