21108 分子動力学法による一次元ナノ材料の力学的特性の解析(材料力学(シミュレーション))

概要

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One-dimensional nanomaterials with conductivity are characterized by the size-effects at nanoscale that are not identified in bulk materials, and they are applicable to wires in super-minute electronic circuits. As such nanomaterials, carbon nanotubes and metallic nanowires especially attract one's attention. Considering their applications, their mechanical properties should be understood. In general, the stable structures of materials at nanoscale are different from those in bulk. In the present study, the deformation of gold nanowires of helical multi-shell structures and the fcc structure under a tensile external force is investigated by molecular-dynamics simulation. The interaction between gold atoms is calculated using the modified embedded-atom method potential. The Young's moduli of the six nanowire models are obtained, and their structural dependence is discussed.
社団法人日本機械学会の論文
2005-03-17