902 分子動力学によるカーボンナノチューブ内の窒素流動解析(OS-2 分子動力学法)

概要

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The dynamics of fluid flow through carbon nanotubes varies according to the geometrical structure of nanotube or the density and velocity of the fluid. One of aims of this reserch is to develop the method of throwing nitrogen into the nanotubes. Molecular dynamics simulations are performed to examine the properties of flow through carbon nanotube. The interatomic forces in the simulations are calculated by combination of Lennard-Jones potential and Brenner potential used in simulations of the chemical vapor deposition of diamond films. Inflow and outflow of nitrogen molecules are put into practice by a stochastic method. It is shown that some fluid molecules adsorb onto inside and outside of the nanotube surface and their interaction to carbon atoms induces the move and deformation of the nanotube.
一般社団法人日本機械学会の論文
2001-03-16