らせん構造を有する金ナノワイヤの力学的特性の分子動力学解析(計算力学)

概要

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Nanomaterials such as carbon nanotubes, semiconductor nanowires, and metallic nanowires have the electronic and mechanical properties useful to nanotechnological applications. Metallic nanowires have drawn much attention of researchers since a single-atom chain of gold atoms at a nanocontact between a STM probe tip and a metal surface was observed. They are promisingly applicable to wiring in nanocircuits. Understanding their dynamic characteristics is essential to realization of such an application. In this molecular-dynamics study, deformation of gold nanowires under enforced elongation is addressed. Three kinds of model nanowires are prepared. The modified embedded-atom method (MEAM) potential is employed for calculating the interation between gold atoms. Before elongation, a model nanowire is equilibrated at a specified temperature. Then, the atoms at one end of the nanowire are moved translationally in the direction along the nanowire axis.
社団法人日本機械学会の論文
2004-03-03