Hybrid Atomistic-Coarse-Grained Treatment of Thin-Film Lubrication I

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	Hybrid Atomistic-Coarse-Grained Treatment of Thin-Film Lubrication I
	Wu ZB(武作兵); Diestler DJ; Feng R; Zeng XC
刊名	Journal of Chemical Physics
	2004
卷号	121 期号:16 页码:8029-8038
ISSN号	0021-9606
中文摘要	A new hybrid atomistic-coarse-grained (HACG) treatment of reversible processes in multiple-scale systems involving fluid-solid interfaces was tested through isothermal-isobaric Monte Carlo simulations of the quasistatic shearing of a model two-dimensional lubricated contact comprising two planar Lennard-Jones solid substrates that sandwich a softer Lennard-Jones film. Shear-stress profiles (plots of shear stress T_{yx} versus lateral displacement of the substrates) obtained by the HACG technique, which combines an atomistic description of the interfacial region with a continuum description of regions well removed from the interface, are compared with "exact" profiles (obtained by treating the whole system at the atomic scale) for a selection of thermodynamic states that correspond to systematic variations of temperature, load (normal stress), film-substrate coupling strength, and film thickness. The HACG profiles are in excellent agreement overall with the exact ones. The HACG scheme provides a reliable description of quasistatic shearing under a wide range of conditions. It is demonstrated that the elastic response of the remote regions of the substrates can have a significant impact on the static friction profile (plot of maximum magnitude of T_{yx} versus load).
学科主题	力学
类目[WOS]	Physics, Atomic, Molecular & Chemical
研究领域[WOS]	Physics
收录类别	SCI
语种	英语
WOS记录号	WOS:000220456400047
公开日期	2007-06-15 ; 2007-12-05 ; 2009-06-23
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/15636]
专题	力学研究所_力学所知识产出(1956-2008)
推荐引用方式 GB/T 7714	Wu ZB,Diestler DJ,Feng R,et al. Hybrid Atomistic-Coarse-Grained Treatment of Thin-Film Lubrication I[J]. Journal of Chemical Physics,2004,121(16):8029-8038.
APA	武作兵,Diestler DJ,Feng R,&Zeng XC.(2004).Hybrid Atomistic-Coarse-Grained Treatment of Thin-Film Lubrication I.Journal of Chemical Physics,121(16),8029-8038.
MLA	武作兵,et al."Hybrid Atomistic-Coarse-Grained Treatment of Thin-Film Lubrication I".Journal of Chemical Physics 121.16(2004):8029-8038.