On the potential energy landscape of supercooled liquids and glasses

D. Rodney, Thomas Schrøder

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The activation-relaxation technique (ART), a saddle-point search method, is applied to determine the potential energy landscape around supercooled and glassy configurations of a three-dimensional binary Lennard-Jones system. We show a strong relation between the distribution of activation energies around a given glassy configuration and its history, in particular, the cooling rate used to produce the glass and whether or not the glass was plastically deformed prior to sampling. We also compare the thermally activated transitions found by ART around a supercooled configuration with the succession of transitions undergone by the same supercooled liquid during a time trajectory simulated by molecular dynamics. We find that ART is biased towards more heterogeneous transitions with higher activation energies and more broken bonds than the MD simulation.
Original languageEnglish
JournalThe European Physical Journal E: Soft Matter and Biological Physics
Volume34
Issue number9
ISSN1292-8941
DOIs
Publication statusPublished - 2011

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