Coupling structural, chemical composition and stress fluctuations with relaxation dynamics in metallic glasses

doi:10.1016/j.actamat.2024.120033

IMR OpenIR

	Coupling structural, chemical composition and stress fluctuations with relaxation dynamics in metallic glasses
	Sopu, D.1,2; Yuan, X.1,3; Spieckermann, F.4; Eckert, J.1,4
通讯作者	Sopu, D.(daniel.sopu@oaew.ac.at)
	2024-08-15
发表期刊	ACTA MATERIALIA
ISSN	1359-6454
卷号	275 页码:7
摘要	Understanding the atomistic mechanisms of relaxation dynamics in metallic glasses remains a longstanding challenge. Here, using microsecond time scale molecular dynamics simulations, three main relaxation stages in metallic glasses are identified. At about 0.6T(g), chemical composition plays a dominant role in the relaxation, manifested by stress accumulation and only minimal variations in structure. As T-g approaches, the confluence of structural heterogeneity and chemical composition leads to the decoupling of relaxation mechanisms. At this temperature, the relaxation results in a structure with a lower energy state and a lower level of stress. In the supercooled liquid regime, an extensive increase in the number of closed-packed icosahedral clusters is responsible for accelerated structural relaxation while their packing frustration leads to the accumulation of intrinsic residual stresses in the glass. The atomistic origin of these dynamic relaxation modes is discussed in terms of structural, chemical composition and stress variations.
关键词	Metallic glasses Molecular dynamics simulations Dynamics relaxation
资助者	Deutsche Forschungs Gemeinschaft (DFG) , Germany ; European Research Council under the ERC ; China Scholarship Council (CSC)
DOI	10.1016/j.actamat.2024.120033
收录类别	SCI
语种	英语
资助项目	Deutsche Forschungs Gemeinschaft (DFG) , Germany[SO 1518/1-1] ; European Research Council under the ERC[ERC-2013-ADG-340025] ; China Scholarship Council (CSC)[201806220096]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:001248349800001
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：2[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/321006/187390
专题	中国科学院金属研究所
通讯作者	Sopu, D.
作者单位	1.Austrian Acad Sci, Erich Schmid Inst Mat Sci, Jahnstr 12, A-8700 Leoben, Austria 2.Tech Univ Darmstadt, Inst Mat Sci, Mat Modelling, Otto Berndt Str 3, D-64287 Darmstadt, Germany 3.Chinese Acad Sci, Inst Met Res, Shi Changxu Innovat Ctr Adv Mat, Shenyang 110016, Peoples R China 4.Univ Leoben, Dept Mat Sci, Jahnstr 12, A-8700 Leoben, Austria
推荐引用方式 GB/T 7714	Sopu, D.,Yuan, X.,Spieckermann, F.,et al. Coupling structural, chemical composition and stress fluctuations with relaxation dynamics in metallic glasses[J]. ACTA MATERIALIA,2024,275:7.
APA	Sopu, D.,Yuan, X.,Spieckermann, F.,&Eckert, J..(2024).Coupling structural, chemical composition and stress fluctuations with relaxation dynamics in metallic glasses.ACTA MATERIALIA,275,7.
MLA	Sopu, D.,et al."Coupling structural, chemical composition and stress fluctuations with relaxation dynamics in metallic glasses".ACTA MATERIALIA 275(2024):7.