固液界面の非平衡分子動力学シミュレーション(<小特集>結晶成長理論の最近の動向)

抄録

We have successfully performed a non-equilibrium molecular dynamics simulation of the crystal-melt interface of Lennard-Jones system. The heat balance equation, k_sG_s -k_LG_L = LρV, has been confirmed, where k_s and k_L are the thermal conductivities of the crystal and the melt, G_s and G_L are the temperature gradients in the crystal and the melt, respectively, and L, ρ, and V are the latent heat of fusion, the density, and the pulling velocity, respectively. There seem to be a tendency that V increases as G_s/G_L increases. Measurement problems similar to those in experiments are pointed out.