Dynamics-Entropy Relationship in Metallic Glasses

doi:10.1021/acs.jpclett.3c03530

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	Dynamics-Entropy Relationship in Metallic Glasses
	Cao LL(曹琳莉); Wang YJ(王云江)
刊名	JOURNAL OF PHYSICAL CHEMISTRY LETTERS
	2024-01-17
卷号	15 期号:3 页码:811-816
ISSN号	1948-7185
DOI	10.1021/acs.jpclett.3c03530
通讯作者	Wang, Yun-Jiang(yjwang@imech.ac.cn)
英文摘要	Establishing a robust quantitative correlation between thermodynamics and dynamics in amorphous matter remains a significant challenge in condensed matter physics. Although the classical Adam-Gibbs relationship represents a pivotal step in this direction and the correlation between relaxation time and configurational entropy has been partially verified in simple liquids, this quantitative link has yet to be tested in realistic glass-forming systems where complex many-body interactions are present. Here we conduct free energy samplings and lattice dynamics analysis to distinguish vibrational entropy from configurational entropy in a realistic Cu-Zr model of a metallic glass. Our calculations unveil a power-law relationship (with a substantial exponent of similar to 3) between the logarithmic relaxation time and configurational entropy, surpassing the linear prediction of the original Adam-Gibbs relationship. This nonlinear entropy driven relaxation time variation likely originates from anisotropic nature of atomic many-body interactions, suggesting that factors beyond thermodynamics contribute to the glass transition phenomenon.
分类号	一类
资助项目	National Natural Science Foundation of China[12072344] ; National Natural Science Foundation of China ; Youth Innovation Promotion Association of the Chinese Academy of Sciences
WOS关键词	CONFIGURATIONAL ENTROPY ; TEMPERATURE-DEPENDENCE ; MOLECULAR-DYNAMICS ; VISCOUS-LIQUIDS ; TRANSITION ; VISCOSITY ; FRAGILITY ; MODEL
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种	英语
WOS记录号	WOS:001151470700001
资助机构	National Natural Science Foundation of China ; National Natural Science Foundation of China ; Youth Innovation Promotion Association of the Chinese Academy of Sciences
其他责任者	Wang, Yun-Jiang
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/94195]
专题	力学研究所_非线性力学国家重点实验室
推荐引用方式 GB/T 7714	Cao LL,Wang YJ. Dynamics-Entropy Relationship in Metallic Glasses[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2024,15(3):811-816.
APA	曹琳莉,&王云江.(2024).Dynamics-Entropy Relationship in Metallic Glasses.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,15(3),811-816.
MLA	曹琳莉,et al."Dynamics-Entropy Relationship in Metallic Glasses".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 15.3(2024):811-816.