MSM 2000
MSM 2000
Technical Proceedings of the 2000 International Conference on Modeling and Simulation of Microsystems

Computational Materials Chapter 3

Monte Carlo Simulation Study of Mechanical Properties of Au Nanowires

Authors: S. Tanimori and S. Shimamura

Affilation: Yamaguchi University, Japan

Pages: 110 - 113

Keywords: Au, nanowire, Monte Carlo simulation, mechanical property

We have carried out Monte Carlo simulations of elongation and shear of Au nanowires to investigate their mechanical properties. We have followed stable atomic arrangements in the nanowires during deformation. The Morse potential has been used as an interatomic interaction. In both elongation and shear, plastic deformation of Au nanowires proceeds in alternating elastic and yielding stages. Force relaxation occurs at each yielding stage. Our simulations predict that Au nanowires break at smaller strains at 600 K than at 300 K in elongation. Young's modulus and the yield stress in elongation estimated from our simulations are in fair agreement with experiments for Au nanowires.

ISBN: 0-9666135-7-0
Pages: 741