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 | Nanotech 2005 Vol. 3
Technical Proceedings of the 2005 NSTI Nanotechnology Conference and Trade Show, Volume 3
Chapter 10: Computational Methods, Numerics and Software Tools |
| | Multiscale Treatment of Thin-Film Lubrication | | Authors: | Z-B Wu, D.J. Diestler and X.C. Zeng | | Affilation: | Chinese Academy of Sciences, CN | | Pages: | 672 - 675 | | Keywords: | film, interface, lubrication, multiscale, coarse-grained | | Abstract: | 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 (WuŁ¬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). |  | View paper | | ISBN: | 0-9767985-2-2 |
| Pages: | 786 |
| Hardcopy: | $165.00 |
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