Numerical calculation of the combinatorial entropy of partially ordered ice

Abstract

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.

Extended version: 7 pages, 10 figures (v1 is letter-type version)

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• Revisiting waterlike network-forming lattice models
• Thermodynamics of two lattice ice models in three dimensions