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arXiv · 2105.12258

Predicting scaling properties from a single fluid configuration

Thomas B. Schrøder
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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.

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Thomas B. Schrøder. 2021-05-25. Predicting scaling properties from a single fluid configuration. https://doi.org/10.1103/physrevlett.129.245501

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