MOLECULAR DYNAMICS-BASED CONTINUUM MODELS FOR THE LINEAR ELASTICITY OF NANOFILMS AND NANOWIRES WITH ANISOTROPIC SURFACE EFFECTS

W Kim and SY Rhee and M Cho, JOURNAL OF MECHANICS OF MATERIALS AND STRUCTURES, 7, 613-639 (2012).

DOI: 10.2140/jomms.2012.7.613

A continuum-based sequential multiscale model is presented for application to nanofilms and nanowires with anisotropic surfaces. The surface effect is accounted for via the inclusion of surface energy due to surface stress and surface strain in the internal energy. For anisotropic surfaces such as a < 110 > surface, a linear surface elasticity model is used instead of the isotropic surface elasticity model proposed by Gurtin and Murdoch. A molecular dynamics simulation is performed in order to calculate initial surface stress and surface elastic tensor. Equilibrium strain and size-dependent elasticity are estimated by the proposed continuum model.

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