722 分子動力学シミュレーションによるナノ材料の変形挙動の研究

概要

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Nanomaterials such as carbon nanotubes, semiconductor nanowires, and metallic nanowires have the electronic and mechanical properties peculiar to nanoscale and useful to nanotechnological applications. Metallic nanowires have drawn much attention of researchers since a linear strand of gold atoms at a nanocontact between a probe tip and a metal surface was observed. They are promisingly applicable to wiring in nanocircuits. Understanding their deformation mechanism is essential to realization of such an application. In this molecular-dynamics study, deformations of gold naowires under tensile load are addressed. Model nanowires of three kinds of stacking are considered. The modified embedded-atom method potential is employed for calculating the interactions between gold atoms. Before tesile process, a model nanowire is equilibrated at a specified temperature. Then, the external forces in the axial direction are exerted on the atoms at the ends of the nanowire. The effect of crystallogra hic anisotropy on the deformation behaviors of nanowires is investigated.
一般社団法人日本機械学会の論文
2003-03-13