Simulations of ices III and V are performed using molecular dynamics calculations in the NPT ensemble. To represent molecular interactions in both ices, two potentials, TIP4P and TIP5P, are used. The specific volume of ice III is calculated as a function of temperature at pressure P = 250 MPa, as well as a function of pressure at temperature T = 246 K. For ice V, the specific volume is calculated as a function of temperature at P = 500 MPa and as a function of pressure at T = 238 K. In both cases, both TIP4P and TIP5P models are used. The results of the calculations are in good agreement with the experimental data of other researchers. PACS No.: 31.15Qg
indicates a series of phase transitions in ice and gives evidence of the important role the kinetics plays in the process of dynamic phase transformations in ice. In order to model multiple phase changes in ice subjected to impulsive loading, thermodynamic equations of state of ices Ih, III, V, and VI and liquid water are used in the pressure range 0-2100 MPa and the temperature range 230-350 K. A kinetic model is presented that makes it possible to describe quantitatively a complex picture of the phase transitions in ice. The results of computer simulations of shock-wave loading of ice are consistent with the available experimental data.
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