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SIZE-DEPENDENT ELASTIC PROPERTIES OFNiNANOFILMS BY MOLECULAR DYNAMICS SIMULATION

Author

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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)

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.

Suggested Citation

  • Zhenyu Yang & Ya-Pu Zhao, 2007. "SIZE-DEPENDENT ELASTIC PROPERTIES OFNiNANOFILMS BY MOLECULAR DYNAMICS SIMULATION," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 14(04), pages 661-665.
    • Handle: RePEc:wsi:srlxxx:v:14:y:2007:i:04:n:s0218625x07010032
    DOI: 10.1142/S0218625X07010032
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