Multiscale Treatment of Thin-Film Lubrication
Z-B Wu, D.J. Diestler and X.C. Zeng
Chinese Academy of Sciences, CN
film, interface, lubrication, multiscale, coarse-grained
A multiscale technique that combines an atomistic description of the interfacial (near) region with a coarse-grained (continuum) description of the far regions of the solid substrates is proposed. The new hybrid technique, which represents an advance over a previously proposed dynamically-constrained hybrid atomistic-coarse-grained treatment (Wu£¬et al., J. Chem. Phys. 120, 6744, 2004), is applied to a two-dimensional model tribological system comprising planar substrates sandwiching a monolayer film. Shear-stress profiles (shear stress versus strain) computed by the new hybrid technique are in excellent agreement with ''exact'' profiles (i.e., those computed treating the whole system at the atomic scale).
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Nanotech 2005 Conference Program Abstract