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arXiv · 2301.11221

Noether-Constrained Correlations in Equilibrium Liquids

Florian Sammüller·Sophie Hermann·Daniel de las Heras·Matthias Schmidt
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Abstract

Liquid structure carries deep imprints of an inherent thermal invariance against a spatial transformation of the underlying classical many-body Hamiltonian. At first order in the transformation field the Noether theorem yields the local force balance. Three distinct two-body correlation functions emerge at second order, namely the standard two-body density, the localized force-force correlation function, and the localized force gradient. An exact Noether sum rule interrelates these correlators. Simulations of Lennard-Jones, Yukawa, soft-sphere dipolar, Stockmayer, Gay-Berne and Weeks-Chandler-Andersen liquids, of monatomic water and of a colloidal gel former demonstrate their fundamental role in the characterization of spatial structure.

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Florian Sammüller, Sophie Hermann, Daniel de las Heras, Matthias Schmidt. 2023-01-26. Noether-Constrained Correlations in Equilibrium Liquids. https://doi.org/10.1103/physrevlett.130.268203

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