A molecular dynamics study of the connectivity of water molecules in supercooled states

Abstract

We examined the distributions of four-coordinated supercooled water molecules in two state points where the densities differ considerably. It is found that although the coordination numbers are all four in local energy minimum structures free from thermal excitation, the magnitude of the connectivity of tetrahedrally coordinated molecules differs significantly between two supercooled states. We also investigated the thermodynamic properties of liquids composed of two kinds of deformed water molecules having wider bond angles in order to compare the properties of these liquids with those of a realistic water model.