Multiscale Treatment of Thin-Film Lubrication

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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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Journal: TechConnect Briefs
Volume: 3, Technical Proceedings of the 2005 NSTI Nanotechnology Conference and Trade Show, Volume 3
Published: May 8, 2005
Pages: 672 - 675
Industry sectors: Advanced Materials & Manufacturing | Sensors, MEMS, Electronics
Topic: Informatics, Modeling & Simulation
ISBN: 0-9767985-2-2