SIZE-DEPENDENT ELASTIC PROPERTIES OFNiNANOFILMS BY MOLECULAR DYNAMICS SIMULATION

Zhenyu Yang and Ya-Pu Zhao ()
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Zhenyu Yang: State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080, People's Republic of China
Ya-Pu Zhao: State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080, People's Republic of China

Surface Review and Letters (SRL), 2007, vol. 14, issue 04, 661-665

Abstract: Size-dependent elastic properties ofNinanofilms are investigated by molecular dynamics (MD) simulations with embedded atom method (EAM). The surface effects are considered by calculating the surface relaxation, surface energy, and surface stress. The Young's modulus and yield stress are obtained as functions of thickness and crystallographic orientation. It is shown that the surface relaxation has important effects on the the elastic properties at nanoscale. When the surface relaxation is outward, the Young's modulus decreases with the film thickness decreasing, and vice versa. The results also show that the yield stresses of the films increase with the films becoming thinner. With the thickness of the nanofilms decreasing, the surface effects on the elastic properties become dominant.

Keywords: Molecular dynamics simulation; size-dependent elastic properties; nanofilms; surface relaxation; Young's modulus; yield stress (search for similar items in EconPapers)
Date: 2007
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DOI: 10.1142/S0218625X07010032

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