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

doi:10.1063/1.1667474

IMECH-IR > 力学所知识产出(1956-2008)

	Hybrid Atomistic-Coarse-Grained Treatment of Thin-Film Lubrication I
	Wu ZB(武作兵); Diestler DJ; Feng R; Zeng XC
发表期刊	Journal of Chemical Physics
	2004
卷号	121 期号:16 页码:8029-8038
ISSN	0021-9606
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).
学科领域	力学
DOI	10.1063/1.1667474
收录类别	SCI
语种	英语
WOS记录号	WOS:000220456400047
WOS研究方向	Physics
WOS类目	Physics, Atomic, Molecular & Chemical
引用统计	被引频次：7[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/15636
专题	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.

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