Nanotech 2005 Vol. 3
Nanotech 2005 Vol. 3
Technical Proceedings of the 2005 NSTI Nanotechnology Conference and Trade Show, Volume 3

Computational Methods, Numerics and Software Tools Chapter 10

Multiscale Treatment of Thin-Film Lubrication

Authors: Z-B Wu, D.J. Diestler and X.C. Zeng

Affilation: Chinese Academy of Sciences, China

Pages: 672 - 675

Keywords: 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).

ISBN: 0-9767985-2-2
Pages: 786
Hardcopy: $109.95

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