Visualization of cluster formation of water molecules

Abstract

Huge amount of information about velocities and locations of individual molecules is derived in the molec-ular dynamics calculation. On the other hand it is difficult to understand from these results how molecules behave. The authors have been studying about microscopic structure of water in a wide range of temperature and density, including liquid-gas coexistence region and near the critical point. The motion of 256 water molecules in a cubic cell is analyzed by molecular dynamics calculations. Visualization of molecules' location and animation of molecules' motion are successfully performed in the present report to see how molecular structure is formed.