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- W2034758436 abstract "The configurational entropy of ice is calculated by thermodynamic integration from high to low temperatures. We use Monte Carlo simulations with a simple energy model which reproduces the Bernal–Fowler ice rules. This procedure is found to be precise enough to give reliable values for the residual entropy sth of different ice phases in the thermodynamic limit. First, we check it for a two-dimensional ice model. Second, we calculate sth for ice Ih, and compare our result with those previously given in the literature. Third, we obtain sth for ice VI, for which we find a value clearly higher than for ice Ih." @default.
- W2034758436 created "2016-06-24" @default.
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- W2034758436 date "2013-05-01" @default.
- W2034758436 modified "2023-10-12" @default.
- W2034758436 title "Configurational entropy of ice from thermodynamic integration" @default.
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- W2034758436 doi "https://doi.org/10.1016/j.cplett.2013.03.010" @default.
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