Nonperturbative effects of attraction on dynamical behaviors of glass-forming liquids

doi:10.1088/1674-1056/abbbdd

Abstract We investigate systematically the effects of the inter-particle attraction on the structure and dynamical behaviors of glass-forming liquids via molecular dynamics simulations. We find that the inter-particle attraction does not influence the structure, but greatly affects the dynamics and dynamical heterogeneity of the system. After the system changes from a purely repulsive glass-forming liquid to an attractive one, the dynamics slows down and the dynamical heterogeneity becomes greater, which is found interestingly to be associated with larger cooperative rearrangement regions (CRRs). Additionally, the structures of CRRs are observed to be compact in attractive glass-forming liquids but string-like in purely repulsive ones. Our findings constitute an important contribution to the ongoing study of the role of attractions in properties of glasses and glass-forming liquids.

Keywords: attractive glass dynamics dynamical heterogeneity cooperative rearrangement regions (CRRs)

Received: 13 August 2020
Revised: 10 September 2020
Accepted manuscript online: 28 September 2020

PACS:	64.70.P-	(Glass transitions of specific systems)
	64.70.kj	(Glasses)
	31.15.xv	(Molecular dynamics and other numerical methods)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11704270, 12074275, and 11574222), Jiangsu Planned Projects for Postdoctoral Research Funds, the PAPD Program of Jiangsu Higher Education Institutions, and the Start-up Fund from Anhui University (Grant No. S020318001/02).

Corresponding Authors: ^†Corresponding author. E-mail: lijin.wang@ahu.edu.cn ^‡Corresponding author. E-mail: zhangzx@suda.edu.cn ^§Corresponding author. E-mail: myqiang@nju.edu.cn

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Xiaoyan Sun(孙晓燕), Haibo Zhang(张海波), Lijin Wang(王利近), Zexin Zhang(张泽新), and Yuqiang Ma(马余强)\ccclink Nonperturbative effects of attraction on dynamical behaviors of glass-forming liquids 2020 Chin. Phys. B 29 126201

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Nonperturbative effects of attraction on dynamical behaviors of glass-forming liquids

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