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  Journal of Nanoscience Letters 2014, 4: 13
  Research Article
Molecular dynamics simulations on cold welding of gold nanowires
  Cheng-Da Wua, Yi-Jun Huanga, Te-Hua Fanga, Jen-Fin Linb, Lucio Riccobonoc  
a Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, Kaohsiung 807, Taiwan
b Department of Mechanical Engineering, National Cheng Kung University, Tainan 701, Taiwan
c Department of Sciences of the Civil Engineering and Architecture, Polytechnic of Bari, Bari 70125, Italy

  The mechanism of cold welding of Au nanowires (NWs) is studied using molecular dynamics simulations based on the second-moment approximation of the many-body tight-binding potential. The effects of head-to-head and side-to-side contacts are investigated by varying various interferences (distances between two NWs when they begin to interact). Simulation results show that welding using head-to-head contact is better than that using side-to-side contact. For head-to-head contact, the weld naturally forms without an interface under low pressure through diffusions between the surface atoms of two NWs. Welding using a large interference leads to the formation of a disordered structure inside NWs. For side-to-side contact, defects or damage easily occurs because a much larger pressure is required for overcoming adhesion.
  Cold welding; Nanowire; Gold; Nanotribology; Molecular dynamics  

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