Noether-Constrained Correlations in Equilibrium Liquids

Fuente: arXiv
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Autori principali: Sammüller, Florian, Hermann, Sophie, Heras, Daniel de las, Schmidt, Matthias
Natura: Preprint
Pubblicazione: 2023
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author Sammüller, Florian
Hermann, Sophie
Heras, Daniel de las
Schmidt, Matthias
author_facet Sammüller, Florian
Hermann, Sophie
Heras, Daniel de las
Schmidt, Matthias
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2301_11221
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Noether-Constrained Correlations in Equilibrium Liquids
Sammüller, Florian
Hermann, Sophie
Heras, Daniel de las
Schmidt, Matthias
Soft Condensed Matter
Statistical Mechanics
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.
title Noether-Constrained Correlations in Equilibrium Liquids
topic Soft Condensed Matter
Statistical Mechanics
url https://arxiv.org/abs/2301.11221