Predicting Scaling Properties from a Single Fluid Configuration

Phys Rev Lett. 2022 Dec 9;129(24):245501. doi: 10.1103/PhysRevLett.129.245501.

Abstract

Time-dependent dynamical properties of a fluid cannot be estimated directly from a single configuration without performing a simulation. Here, however, we present a method that predicts the scaling properties of both structure and dynamics from a single configuration. The method is demonstrated to work well for the Lennard-Jones fluid as well as the viscous Kob-Andersen Lennard-Jones mixture, both in and out of equilibrium. The method is conceptually simple and easy to implement and, thus, should become a standard tool in the study of scaling properties of fluids and liquids.