Citation: WANG Xiu-Xiu, ZHAO Jian-Wei, YU Gang. Combined Effects of the Hole and Twin Boundary on the Deformation of Ag Nanowires: a Molecular Dynamics Simulation Study[J]. Acta Physico-Chimica Sinica, ;2017, 33(9): 1773-1780. doi: 10.3866/PKU.WHXB201705087 shu

Combined Effects of the Hole and Twin Boundary on the Deformation of Ag Nanowires: a Molecular Dynamics Simulation Study

1.
State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, P. R. China;
2.
College of Material and Textile Engineering, Jiaxing University, Jiaxing 314001, ZhejiangProvince, P. R. China

Received Date: 16 March 2017
Revised Date: 27 April 2017

Fund Project: The project was supported by the National Natural Science Foundation of China (51271074).

Based on molecular dynamics simulations, the plastic deformation of silver nanowires under uniaxial tension has been studied systematically. In this paper, the mechanical properties of [111]-oriented twin nanowires with different hole sizes have been studied. The existence of holes has no effect on the elastic deformation stage. The hole on the twin boundary has two main roles in the plastic deformation stage. During the initial stages of plastic deformation, the main function of the hole is to produce new dislocations as dislocation sources at small hole sizes.Upon increasing the hole size, the main effect changes to stop dislocation slip. During the late stages of plastic deformation, the two functions of the hole complement each other, upon increasing the hole size, the function of the hole as dislocation sources becomes obvious, leading to weakening of the plasticity of the nanowires.
- Hole defect,
- Twin boundary,
- Tension,
- Silver nanowire,
- Molecular dynamics
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沈阳化工大学材料科学与工程学院沈阳 110142