Numerical calculation of the combinatorial entropy of partially ordered ice
classification
❄️ cond-mat.stat-mech
cond-mat.mtrl-sciphysics.chem-ph
keywords
combinatorialcaseentropyorderedpartiallyaccurateallowallows
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Using a one-parameter case as an example, we demonstrate that multicanonical simulations allow for accurate estimates of the residual combinatorial entropy of partially ordered ice. For the considered case corrections to an (approximate) analytical formula are found to be small, never exceeding 0.5%. The method allows one as well to calculate combinatorial entropies for many other systems.
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