Thermodynamic geometry of the Gaussian core model fluid
Abstract
The three-dimensional Gaussian core model (GCM) for soft-matter systems has repulsive interparticle interaction potential , with the distance between a pair of atoms, and the positive constants and setting the energy and length scales, respectively. is mostly soft in character, without the typical hard core present in fluid models. We work out the thermodynamic Ricci curvature scalar for the GCM, with particular attention to the sign of , which, based on previous results, is expected to be positive/negative for microscopic interactions repulsive/attractive. Over most of the thermodynamic phase space, is found to be positive, with values of the order of . However, for low densities and temperatures, the GCM potential takes on the character of a hard-sphere repulsive system, and 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.
Keywords
Cite
@article{arxiv.2101.05936,
title = {Thermodynamic geometry of the Gaussian core model fluid},
author = {George Ruppeiner and Peter Mausbach and Helge-Otmar May},
journal= {arXiv preprint arXiv:2101.05936},
year = {2021}
}
Comments
28 pages, 8 figures