1436 カーボンナノチューブ接合系内の Ar 原子の流れにおける密度依存性の解析  [in Japanese] Molecular dynamics study of density dependence of Ar flow inside nanotube junction  [in Japanese]

A carbon nanotube junction, which has been extensively investigated as a molecular electronic device, can be regarded as a nanoscale nozzle and a diffuser. In this study, we have conducted a molecular dynamics simulation of Ar flow inside nanotube junction varying the global density of Ar inside the channel. Uniform gravitational field is applied in the flow direction to induce the flow. The temperature of only nanotube junction model is maintained by Nose-Hoover thermostat. The simulation results show that the interactions between Ar atoms and the wall characterize the flow properties, and that the density of Ar as a whole greatly affects the distribution of Ar atoms, temperature and velcoity.