Abstract

In this article, we calculated the residual entropy of ice I (ordinary ice) by multicanonical Monte Carlo simulations of two simple models with nearest neighbour interactions on 3D hexagonal lattices. Our estimate is found to be within 0.13% of an analytical approximation by Nagle, which is an improvement of Pauling's result from 1935. We pose it as a challenge to experimentalists to improve on the accuracy of a 1936 measurement by Giauque and Stout by about one order of magnitude, which would allow one to identify corrections to Pauling's value unambiguously. It is straightforward to transfer our methods to other crystal systems.

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