C211 ナノメートルスケールの壁面微細構造が凝縮核生成に及ぼす影響に関する分子動力学的研究(OS-13:分子シミュレーション(1))

Abstract

Heterogeneous nucleation of liquid droplets on a solid surface with and without the nanostructures is directly simulated by the classical molecular dynamics simulations and the effects of morphology of the nanostructures, on the nucleation rate, are investigated. The potential energy between the fluid molecule and solid atom is assumed to be the 12-6 Lennard-Jones form, and the energy scale parameter is changed to reproduce various degrees of wettability. The results showed that in the case of a solid surface without nanostructures, as the wettability of a solid surface becomes better, the nucleation rate becomes higher. On the other hand, when there are nanostructures on a solid surface, the influences of morphology of the nanostructures, on the nucleation rate, depends on the wettability of a solid surface and the nanostructures.