A potential model for the study of ices and amorphous water: TIP4P/Ice.

  title={A potential model for the study of ices and amorphous water: TIP4P/Ice.},
  author={Jos{\'e} L F Abascal and Eduardo Sanz and Ram{\'o}n Garc{\'i}a Fern{\'a}ndez and Carlos Vega},
  journal={The Journal of chemical physics},
  volume={122 23},
The ability of several water models to predict the properties of ices is discussed. The emphasis is put on the results for the densities and the coexistence curves between the different ice forms. It is concluded that none of the most commonly used rigid models is satisfactory. A new model specifically designed to cope with solid-phase properties is proposed. The parameters have been obtained by fitting the equation of state and selected points of the melting lines and of the coexistence lines… CONTINUE READING

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