Mechanical property and deformation mechanism of gold nanowire with non-uniform distribution of twinned boundaries: A molecular dynamics simulation study

doi:10.1088/1674-1056/abd162

Abstract The mechanical property and deformation mechanism of twinned gold nanowire with non-uniform distribution of twinned boundaries (TBs) are studied by the molecular dynamics (MD) method. It is found that the twin boundary spacing (TBS) has a great effect on the strength and plasticity of the nanowires with uniform distribution of TBs. And the strength enhances with the decrease of TBS, while its plasticity declines. For the nanowires with non-uniform distribution of TBs, the differences in distribution among different TBSs have little effect on the Young's modulus or strength, and the compromise in strength appears. But the differences have a remarkable effect on the plasticity of twinned gold nanowire. The twinned gold nanowire with higher local symmetry ratio has better plasticity. The initial dislocations always form in the largest TBS and the fracture always appears at or near the twin boundaries adjacent to the smallest TBS. Some simulation results are consistent with the experimental results.

Keywords: twin nanowire gold non-uniform distribution mechanical property molecular dynamics simulation

Received: 29 September 2020
Revised: 17 November 2020
Accepted manuscript online: 08 December 2020

PACS:	61.46.Km	(Structure of nanowires and nanorods (long, free or loosely attached, quantum wires and quantum rods, but not gate-isolated embedded quantum wires))
	62.23.Hj	(Nanowires)
	61.72.Mm	(Grain and twin boundaries)
	62.25.-g	(Mechanical properties of nanoscale systems)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 51771033).

Corresponding Authors: Zhao-Yang Hou
E-mail: zhaoyanghou@163.com

Cite this article:

Qi-Xin Xiao(肖启鑫), Zhao-Yang Hou(侯兆阳), Chang Li(李昌), and Yuan Niu(牛媛) Mechanical property and deformation mechanism of gold nanowire with non-uniform distribution of twinned boundaries: A molecular dynamics simulation study 2021 Chin. Phys. B 30 056101

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Mechanical property and deformation mechanism of gold nanowire with non-uniform distribution of twinned boundaries: A molecular dynamics simulation study

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