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A Study of Surface Stress Effects on Equilibrium States of thin Nanofilm  

Kim, Won-Bae (서울대학교 기계항공공학부)
Cho, Maeng-Hyo (서울대학교 기계항공공학부)
Publication Information
Journal of the Computational Structural Engineering Institute of Korea / v.22, no.4, 2009 , pp. 331-334 More about this Journal
Abstract
In this paper, we present a surface relaxation model in atomistic calculations for thin nanofilms. This surface relaxation model is very simple model which have only two degrees of freedoms to determine the atomic positions of nanofilms. Whereas in conventional molecular statics simulations, the same number of degrees of freedoms at all atom positions are used as unknown variables. In order to prove the reliability of the presented model, we present the results of self-equilibrium strain calculations with the surface parameters obtained from this model.
Keywords
surface relaxation; atomistic calculation; self-equilibrium; surface stress; nanofilm;
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