Molecular dynamics results for stretched water

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Abstract
Detailed computer simulation results of several static and dynamical properties of water, obtained by using a realistic potential model proposed by Jorgensen et al., in the supercooled region, at densities well below the coexistence curve, are reported. We have analyzed the structural properties by evaluating the volume distributions of Voronoi polyhedra as well as angular and radial distributions of molecular clusters. In particular, the homogeneity of the system has carefully been checked. The investigated dynamical properties mainly concern the density 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 fact that the conclusions drawn on the physical process underlying density and temperature behavior, can strongly be influenced by the use of different potential models.