The melting temperature of the six site potential model of water
José L.F. Abascal, Ramón García Fernández and Carlos Vega
Journal of Chemical Physics 125, 166101 (2006)
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[DOI]
ABSTRACT
The melting temperature of the six-site potential of water is calculated
using two different methods. The first one combines free energy
calculations with hamiltonian Gibbs-Duhem integration. The second method
is based on the evolution (melting or freezing) of an explicit liquid-ice
interface. Both methods yield very similar results so we propose 289 K as
the melting temperature of the model.
