English

Thermodynamic geometry of the Gaussian core model fluid

Soft Condensed Matter 2021-01-18 v1 Statistical Mechanics

Abstract

The three-dimensional Gaussian core model (GCM) for soft-matter systems has repulsive interparticle interaction potential ϕ(r)=εexp[(r/σ)2]\phi (r) = \varepsilon\, {\rm exp}\left[ -(r/\sigma)^{2} \right], with rr the distance between a pair of atoms, and the positive constants ε\varepsilon and σ\sigma setting the energy and length scales, respectively. ϕ(r)\phi (r) is mostly soft in character, without the typical hard core present in fluid models. We work out the thermodynamic Ricci curvature scalar RR for the GCM, with particular attention to the sign of RR, which, based on previous results, is expected to be positive/negative for microscopic interactions repulsive/attractive. Over most of the thermodynamic phase space, RR is found to be positive, with values of the order of σ3\sigma^3. However, for low densities and temperatures, the GCM potential takes on the character of a hard-sphere repulsive system, and RR 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