Abstract
Non-equilibrium molecular dynamics(NEMD) simulations were conducted for a coexistence system of water and ice on a solid surface in order to elucidate effects of solidification phenomena on the water molecules in the vicinity of the solid surface. First, the initial state for the simulation was investigated by varying the temperature of the system, and the melting point of the system was estimated. Then, the state at the estimated melting point was adopted as the initial state, and the NEMD simulation was conducted. The results show that the density of the water molecules in the vicinity of the solid surface changes when the solidification front of water reaches close the solid surface, in the case of the relatively low solid-liquid interaction strength.
