English

Modeling Fluid Polyamorphism Through a Maximum-Valence Approach

Soft Condensed Matter 2022-07-20 v6 Computational Physics

Abstract

We suggest a simple model to describe polyamorphism in single-component fluids using a maximum-valence approach. The model contains three types of interactions: i) atoms attract each other by van der Waals forces that generate a liquid-gas transition at low pressures, ii) atoms may form covalent bonds that induce association, and iii) bonded atoms attract or repel each other stronger than non-bonded atoms, thus generating liquid-liquid separation. As an example, we qualitatively compare this model with the behavior of liquid sulfur and show that condition (iii) generates a liquid-liquid phase transition in addition to the liquid-gas phase transition.

Keywords

Cite

@article{arxiv.2111.08109,
  title  = {Modeling Fluid Polyamorphism Through a Maximum-Valence Approach},
  author = {Nikolay A. Shumovskyi and Thomas J. Longo and Sergey V. Buldyrev and Mikhail A. Anisimov},
  journal= {arXiv preprint arXiv:2111.08109},
  year   = {2022}
}

Comments

Manuscript intended for PRE

R2 v1 2026-06-24T07:39:41.464Z