Entropy Multiparticle Correlation Expansion for a Crystal

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.

31 pages, 3 figures

References in corpus (5)

• Determination of onset temperature from the entropy for fragile to strong liquids
• Ground state of weakly repulsive soft-core bosons on a sphere
• Phase behavior of a double-Gaussian fluid displaying water-like features
• Computation of the equilibrium three-particle entropy for dense atomic fluids by molecular dynamics simulation
• Multiparticle correlation expansion of relative entropy in lattice systems