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Molecular-Dynamics Study of the Structural Dependence of the Young Modulus of Au Nanowires

Published online by Cambridge University Press:  21 March 2011

S. Kameoka  and
K. Shintani
S. Kameoka
Affiliation:
Dept of ME & Intelligent Sys, Univ of Electro-Comm, 1-5-1 Chofugaoka, Chofu, Tokyo 182-8585, Japan E-mail: shintani@mce.uec.ac.jp, URL: http://www.shintani.mce.uec.ac.jp/
K. Shintani
Affiliation:
Dept of ME & Intelligent Sys, Univ of Electro-Comm, 1-5-1 Chofugaoka, Chofu, Tokyo 182-8585, Japan E-mail: shintani@mce.uec.ac.jp, URL: http://www.shintani.mce.uec.ac.jp/
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Abstract

The deformation of Au nanowires of helical multi-shell (HMS) structures and the fcc structure under a tensile external force is addressed by molecular-dynamics simulation. The modified embedded-atom method (MEAM) potential is employed for calculating the interaction between Au atoms. At first, a model nanowire is equilibrated at a specified temperature. Next, the external force in the axial direction is imposed on the Au atoms at the ends of the nanowire. We conclude that the Young modulus of a Au nanowire depends on its atomic structure.

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