System-size effect on the friction at liquid-solid interfaces

doi:10.1007/s10483-020-2591-5

Applied Mathematics and Mechanics (English Edition) ›› 2020, Vol. 41 ›› Issue (3): 471-478.doi: https://doi.org/10.1007/s10483-020-2591-5

System-size effect on the friction at liquid-solid interfaces

Liang ZHAO¹, Jiajia SUN¹, Xian WANG¹, Li ZENG², Chunlei WANG³, Yusong TU¹

1. College of Physical Science and Technology, Yangzhou University, Yangzhou 225009, Jiangsu Province, China;
2. School of Physics and Electronics, Nanning Normal University, Nanning 530023, China;
3. Division of Interfacial Water and Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China

收稿日期:2019-08-12 修回日期:2019-12-28 出版日期:2020-03-01 发布日期:2020-02-17
通讯作者: Yusong TU E-mail:ystu@yzu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Nos. 11605151, 11675138, and 11422542) and the Special Program for Applied Research on Super Computation of the NSFCGuangdong Joint Fund (the second phase)

System-size effect on the friction at liquid-solid interfaces

Liang ZHAO¹, Jiajia SUN¹, Xian WANG¹, Li ZENG², Chunlei WANG³, Yusong TU¹

1. College of Physical Science and Technology, Yangzhou University, Yangzhou 225009, Jiangsu Province, China;
2. School of Physics and Electronics, Nanning Normal University, Nanning 530023, China;
3. Division of Interfacial Water and Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China

Received:2019-08-12 Revised:2019-12-28 Online:2020-03-01 Published:2020-02-17
Contact: Yusong TU E-mail:ystu@yzu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Nos. 11605151, 11675138, and 11422542) and the Special Program for Applied Research on Super Computation of the NSFCGuangdong Joint Fund (the second phase)

摘要/Abstract

摘要： The friction at the liquid-solid interfaces is widely involved in various phenomena ranging from nanometer to micrometer scales. By the molecular dynamic (MD) simulation, the friction properties of liquid-solid interfaces at the molecular level are calculated via the Green-Kubo relation. It is found that the system size will influence the value of the friction coefficient, especially for the solid surfaces with the larger polar charge. The value of the friction coefficient decreases with the increase in the system size and converges at large system sizes. The large polar charge will lead to a significant friction coefficient. However, the diffusion of water molecules on this surface is almost a constant, indicating that the diffusion coefficient seems to be independent of the system size and polar charge. This work provides insights for the selection of the system size in modeling the frictional properties of hydrophobic/hydrophilic surfaces.

关键词: Green-Kubo relation, liquid-solid interface, system-size effect, friction coefficient

Abstract: The friction at the liquid-solid interfaces is widely involved in various phenomena ranging from nanometer to micrometer scales. By the molecular dynamic (MD) simulation, the friction properties of liquid-solid interfaces at the molecular level are calculated via the Green-Kubo relation. It is found that the system size will influence the value of the friction coefficient, especially for the solid surfaces with the larger polar charge. The value of the friction coefficient decreases with the increase in the system size and converges at large system sizes. The large polar charge will lead to a significant friction coefficient. However, the diffusion of water molecules on this surface is almost a constant, indicating that the diffusion coefficient seems to be independent of the system size and polar charge. This work provides insights for the selection of the system size in modeling the frictional properties of hydrophobic/hydrophilic surfaces.

Key words: Green-Kubo relation, liquid-solid interface, system-size effect, friction coefficient

中图分类号:

82B24

Liang ZHAO, Jiajia SUN, Xian WANG, Li ZENG, Chunlei WANG, Yusong TU. System-size effect on the friction at liquid-solid interfaces[J]. Applied Mathematics and Mechanics (English Edition), 2020, 41(3): 471-478.

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System-size effect on the friction at liquid-solid interfaces

System-size effect on the friction at liquid-solid interfaces

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