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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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MD simulations of charged binary mixtures reveal a generic relation between high- and low-temperature behavior

L Hecht1, R Horstmann2, B Liebchen1

  • 1Institut für Physik Kondensierter Materie, Technische Universität Darmstadt, Hochschulstr. 8, 64289 Darmstadt, Germany.

The Journal of Chemical Physics
|January 15, 2021
PubMed
Summary

High-temperature activation energy (E∞) and glass transition temperature (Tg) are linked in glass-forming liquids. This study reveals a constant ratio between E∞ and Tg, enabling Tg prediction from E∞.

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