Effects of Surface Orientation and Temperature on Tensile Deformation of Gold Nanowires
QF Liu and SP Shen, CMC-COMPUTERS MATERIALS & CONTINUA, 17, 59-75 (2010).
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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