Acta Phys. -Chim. Sin. ›› 2017, Vol. 33 ›› Issue (9): 1773-1780.doi: 10.3866/PKU.WHXB201705087

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

Xiu-Xiu WANG1,Jian-Wei ZHAO2,*(),Gang YU1,*()   

  1. 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:2017-03-16 Published:2017-07-05
  • Contact: Jian-Wei ZHAO,Gang YU;
  • 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.

Key words: Hole defect, Twin boundary, Tension, Silver nanowire, Molecular dynamics


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