English

Predicting scaling properties from a single fluid configuration

Soft Condensed Matter 2022-12-21 v1 Computational Physics

Abstract

Time-dependent dynamical properties of a fluid can not be estimated from a single configuration without performing a simulation. Here we show, however, that the scaling properties of both structure and dynamics can be predicted from a single configuration. The new method is demonstrated to work very well for equilibrium dynamics of the Kob-Andersen Binary Lennard-Jones mixture. Furthermore, the method is applied to isobaric cooling where the liquid falls out of equilibrium and forms a glass, demonstrating that the method requires neither equilibrium nor constant volume conditions to work, in contrast to existing methods.

Keywords

Cite

@article{arxiv.2105.12258,
  title  = {Predicting scaling properties from a single fluid configuration},
  author = {Thomas B. Schrøder},
  journal= {arXiv preprint arXiv:2105.12258},
  year   = {2022}
}

Comments

11 pages, 5 figures

R2 v1 2026-06-24T02:28:07.052Z