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Atomistic simulation of yield mechanism of single crystal copper nanowires

Xu Zhen-Hai Yuan Lin Shan De-Bin Guo Bin

Atomistic simulation of yield mechanism of single crystal copper nanowires

Xu Zhen-Hai, Yuan Lin, Shan De-Bin, Guo Bin
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  • Received Date:  27 November 2008
  • Accepted Date:  24 February 2009
  • Published Online:  20 July 2009

Atomistic simulation of yield mechanism of single crystal copper nanowires

  • 1. 哈尔滨工业大学材料科学与工程学院,哈尔滨 150001

Abstract: Molecular statics simulation was used to study the yielding mechanism of 〈100〉 oriented single crystal copper nanowires under tension. The results show that, the yield of nanowires is initially realised via {111}〈112〉 twinning from random activation of partials, and subsequently via slip of {111}〈112〉 partial dislocation; in addition, the partial dislocations on different planes successively slip and meet to form stair-rod dislocation at the initial stage of plastic deformation, while some partial dislocations are piled up near the rigid boundary at the later stage of plastic deformation, both of which hinder dislocation slip, resulting in strengthening of the single crystal copper nanowires.

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