コンピューター・シミュレーションによる水の構造と物性の研究

抄録

Systematic studies of the structure and properties of liquid water at many temperatures and densities are performed by computer experiments on the basis of simple models. The observed anomalous properties of liquid water are reproduced semiquantitatively in radial distribution functions, thermodynamical quantities, self-diffusion coefficient and other quantities. The microscopic structures and its time dependences are studied and the lifetime of the local structure in the liquid water is estimated. [J. Cryst. Soc. Jpn. 26, 271 (1984) ] .