MOLECULAR-DYNAMICS RESULTS FOR STRETCHED WATER

Detailed computer simulation results of several static and dynamical p roperties of water, obtained by using a realistic potential model prop osed by Jorgensen et al., in the supercooled region, at densities well below the coexistence curve, are reported. We have analyzed the struc tural properties by evaluating the volume distributions of Voronoi pol yhedra as well as angular and radial distributions of molecular cluste rs. In particular, the homogeneity of the system has carefully been ch ecked. The investigated dynamical properties mainly concern the densit y and temperature dependence of the diffusion coefficient. The results are compared both with previous simulations, performed with different models, and with experimental findings. Some differences stress the f act that the conclusions drawn on the physical process underlying dens ity and temperature behavior, can strongly be influenced by the use of different potential models.