Open Access

ARTICLE

Effects of Surface Orientation and Temperature on Tensile Deformation of Gold Nanowires

by Qunfeng Liu¹, gping Shen²

1 MOE Key Laboratory for Strength and Vibration, School of Aerospace, Xi’an Jiaotong University,Xi’an, Shaanxi 710049, P.R. China.
2 Corresponding author. MOE Key Laboratory for Strength and Vibration, School of Aerospace,Xi’an Jiaotong University, 28 West Xianning Road, Xi’an, Shaanxi 710049, P.R. China. Tel/Fax:86-29-82660977; E-mail: sshen@mail.xjtu.edu.cn

Computers, Materials & Continua 2010, 17(1), 59-76. https://doi.org/10.3970/cmc.2010.017.059

Abstract

Molecular Dynamics (MD) simulations have been performed using the EAM potential to investigate the deformation behaviors and mechanical properties of <100>/{100} gold nanowires with square cross-section at a certain strain rate under different temperatures ranging from 10 K to 700 K. It is found that <100>/{100} gold nanowires at high temperatures tend to form the extended stable nanobridges-Helical Multi-shell Structure (HMS), which is similar to the deformation behavior of <110> gold nanowires at room temperature reported in the previous experimental observations and simulations. The effect of temperature on the mechanical properties and deformation behaviors of gold nanowires was analyzed. The results showed that the yield stress and modulus of the nanowires with rectangular cross-section decrease with increasing temperature at certain strain rate. In addition, we investigated <100>/{110} and <110> gold nanowires under the same conditions, and found that the surface orientation plays a significant role in the formation and stability of gold nanobridges. Based on these investigations, we discussed the combined effects of surface orientation and temperature on the mechanical properties and structural behaviors. Moreover, the length of HMS and toughness of nanowires with different orientations was analyzed as a function of temperature.

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