Rev.Adv.Mater.Sci.(RAMS)
No 2, Vol. 14, 2007, pages 174-182

BRITTLE FRACTURE OF 100-, 110-, 111-ORIENTED Cu CRYSTALS: MD vs. TB/MD APPROACH

Jacek Dziedzic, Michal Białoskórski and Jarosław Rybicki

Abstract

Cross-scaling simulations of nanoindentation of copper with an infinitely hard tool, employing molecular dynamics concurrently augmented with tight-binding calculations, have been conducted for three crystal orientations of the workmaterial. The effect of introducing tight-binding into the calculation on the normal force experienced by the indenter and the displacement of workpiece atoms has been studied by comparing the results with pure molecular dynamics simulations.

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