Simulation of Melting Process of Ice by Molecular Dynamics

Abstract

Simulation study of phase change from ice to water was carried out using molecular dynamics technique. Starting from ice formation with 576water molecules,kinetic energy was added step by step to each molecule in order to increase its temperature. It was found that the ice formation was kept in order up to a certain energy level. It indicates that the model for water molecule which usually adopted to study the behavior of liquid phase can be extended to solid phase. Beyond that level,however,the molecular arrangement started to break and without adding any extra energy to the system,the formation became disordered. The time variation of the melting process was shown graphically in cartesian coordinate. Furthermore,the result was compared with the properties of water,and it was found that the increment of the potential energy due to the change information was almost equal to a latent heat of the system. It was also found that the temperature when the ice formation started to be disordered was almost equal to melting point of the ice for the specific volume.