Thermodynamic geometry of the Gaussian core model fluid - Kölner UniversitätsPublikationsServer

Ruppeiner, George ORCID: 0000-0002-9263-2026, Mausbach, Peter and May, Helge-Otmar (2021). Thermodynamic geometry of the Gaussian core model fluid. Fluid Phase Equilib., 542. AMSTERDAM: ELSEVIER. ISSN 1879-0224

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DOI:10.1016/j.fluid.2021.113033

Abstract

The three-dimensional Gaussian core model (GCM) for soft-matter systems has repulsive interparticle interaction potential phi(r) = epsilon exp[-(r/sigma)(2)], with r the distance between a pair of atoms, and the positive constants epsilon and sigma setting the energy and length scales, respectively. phi(r) is mostly soft in character, without the typical hard core present in fluid models. We work out the thermodynamic Ricci curvature scalar R for the GCM, with particular attention to the sign of R, which, based on previous results, is expected to be positive/negative for microscopic interactions repulsive/attractive. Over most of the thermodynamic phase space, R is found to be positive, with values of the order of sigma(3). However, for low densities and temperatures, the GCM potential takes on the character of a hard-sphere repulsive system, and R is found to have an anomalous negative sign. Such a sign was also found earlier in inverse power law potentials in the hard-sphere limit, and seems to be a persistent feature of hard-sphere models. (C) 2021 Published by Elsevier B.V.

Item Type:

Journal Article

Creators:

Creators	Email	ORCID	ORCID Put Code
Ruppeiner, George	UNSPECIFIED	orcid.org/0000-0002-9263-2026	UNSPECIFIED
Mausbach, Peter	UNSPECIFIED	UNSPECIFIED	UNSPECIFIED
May, Helge-Otmar	UNSPECIFIED	UNSPECIFIED	UNSPECIFIED