Molecular-Dynamics Modelling of the Tensile Deformation of Helical Nanowires
Keyword(s):
AbstractDeformations of Au nanowires of helical structures under enforced elongation are addressed by the molecular-dynamics simulation. The embedded-atom method potential is employed for calculating the interaction between Au atoms. Model nanowires of the two kinds of helicities are prepared. Before elongation, a model nanowire is equilibrated at a specified temperature. Then, the Au atoms at one end of the nanowire are translationally moved in the axial direction. The simulation results show that a model nanowire can be elongated to form a single-atom chain of Au atoms under some circumstances.
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2012 ◽
Vol 184
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pp. 301-306
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2011 ◽
Vol 378-379
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pp. 7-10