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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
ISSN1359-6454
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)
DOI10.1016/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
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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.
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