English

Structural properties of the Jagla fluid

Soft Condensed Matter 2018-08-01 v2 Statistical Mechanics Chemical Physics

Abstract

The structural properties of the Jagla fluid are studied by Monte Carlo (MC) simulations, numerical solutions of integral equation theories, and the (semi-analytical) rational-function approximation (RFA) method. In the latter case, the results are obtained from the assumption (supported by our MC simulations) that the Jagla potential and a potential with a hard core plus an appropriate piecewise constant function lead to practically the same cavity function. The predictions obtained for the radial distribution function, g(r)g(r), from this approach are compared against MC simulations and integral equations for the Jagla model, and also for the limiting cases of the triangle-well potential and the ramp potential, with a general good agreement. The analytical form of the RFA in Laplace space allows us to describe the asymptotic behavior of g(r)g(r) in a clean way and compare it with MC simulations for representative states with oscillatory or monotonic decay. The RFA predictions for the Fisher--Widom and Widom lines of the Jagla fluid are obtained.

Cite

@article{arxiv.1805.06874,
  title  = {Structural properties of the Jagla fluid},
  author = {Mariano López de Haro and Álvaro Rodríguez-Rivas and Santos B. Yuste and Andrés Santos},
  journal= {arXiv preprint arXiv:1805.06874},
  year   = {2018}
}

Comments

12 pages, 10 figures; v2: structure factor included

R2 v1 2026-06-23T01:59:01.648Z