Single-parameter aging in a binary Lennard-Jones system

Saeed Mehri*, Trond Ingebrigtsen, Jeppe Dyre

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review


This paper studies physical aging by computer simulations of a 2:1 Kob–Andersen binary Lennard-Jones mixture, a system that is less prone to crystallization than the standard 4:1 composition. Starting from thermal-equilibrium states, the time evolution of the following four quantities is monitored by following up and down jumps in temperature: potential energy, virial, average squared force, and the Laplacian of the potential energy. Despite the fact that significantly larger temperature jumps are studied here than in typical similar experiments, to a good approximation, all four quantities conform to the single-parameter-aging scenario derived and validated for small jumps in experiments [T. Hecksher, N. B. Olsen, and J. C. Dyre, J. Chem. Phys. 142, 241103 (2015)]. As a further confirmation of single-parameter aging with a common material time for the four different quantities monitored, their relaxing parts are found to be almost identical for all temperature jumps.
Original languageEnglish
Article number094504
JournalJournal of Chemical Physics
Issue number9
Number of pages9
Publication statusPublished - 7 Mar 2021

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