Structural and thermodynamic properties of different phases of supercooled liquid water.

摘要: Computer simulation results are reported for a realistic polarizable potential model of water in the supercooled region. Three states, corresponding to low density amorphous ice, high and very ice phases chosen analyses. These states located close liquid-liquid coexistence lines already shown exist considered model. Thermodynamic structural quantities calculated, order characterize properties three phases. The point out increasing relevance interstitial neighbors, which clearly appear going from neighbors found be, at same time, also distant along hydrogen bonded network molecules. role these has been discussed connection with interpretation recent neutron scattering measurements. systems characterized by looking angular distribution neighboring molecules, volume face area Voronoi polyhedra, parameters. cumulative analysis all confirms assumption that similarity between arrangement molecules explored polymorphs I(h), III, VI exists.