Vol. 7, No. 7, 2012

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ISSN: 1559-3959
Molecular dynamics-based continuum models for the linear elasticity of nanofilms and nanowires with anisotropic surface effects

Wonbae Kim, Seung Yun Rhee and Maenghyo Cho

Vol. 7 (2012), No. 7, 613–639
Abstract

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.

Keywords
surface effects, sequential multiscale model, finite element method, nanofilm, nanowire, size-dependent elasticity, molecular dynamics simulation
Milestones
Received: 9 June 2011
Revised: 1 June 2012
Accepted: 18 June 2012
Published: 4 January 2013
Authors
Wonbae Kim
Division of WCU Multiscale Mechanical Design, School of Mechanical and Aerospace Engineering
Seoul National University
Seoul 151-744
South Korea
Seung Yun Rhee
Aircraft Certification Team, Aerospace Safety and Certification Center
Korea Aerospace Research Institute
169-84 Gwahangno
Yuseong-gu
Daejeon 305-806
South Korea
Maenghyo Cho
Division of WCU Multiscale Mechanical Design, School of Mechanical and Aerospace Engineering
Seoul National University
Seoul 151-744
South Korea
http://ssnd.snu.ac.kr/members/professor.html