1012 カーボンナノコイル生成に関する分子動力学的研究(OS10. 電子・原子・マルチシミュレーションに基づく材料特性評価(3),オーガナイズドセッション講演)

概要

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In this study, growth of carbon nanocoils (CNCs) is investigated by using molecular dynamics simulations. The simulation system is based on the proposed formation model of CNCs in CVD method, where carbon atoms adhered to a catalyst surface on a substrate form carbon nanotubes (CNTs) or CNCs. In this simulation, catalyst and substrate surfaces are mimicked by simple potential functions and carbon atoms are added to the CNT seed with a certain interval, and the supplying position is determined using random numbers which is governed by a given probability density function (PDF). Vertical growth of CNT is observed under a uniform PDF for the supplying position while curved CNC-like growth is seen under a biased PDF.
2010-09-23