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arXiv · 2103.09580

Entropy Multiparticle Correlation Expansion for a Crystal

Santi Prestipino·Paolo V. Giaquinta
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Abstract

As first shown by H. S. Green in 1952, the entropy of a classical fluid of identical particles can be written as a sum of many-particle contributions, each of them being a distinctive functional of all spatial distribution functions up to a given order. By revisiting the combinatorial derivation of the entropy formula, we argue that a similar correlation expansion holds for the entropy of a crystalline system. We discuss how one- and two-body entropies scale with the size of the crystal, and provide fresh numerical data to check the expectation, grounded on theoretical arguments, that both entropies are extensive quantities.

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Santi Prestipino, Paolo V. Giaquinta. 2021-03-17. Entropy Multiparticle Correlation Expansion for a Crystal. https://doi.org/10.3390/e22091024

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