On the potential energy landscape of supercooled liquids and glasses |
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Authors: | D Rodney T Schrøder |
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Institution: | Laboratoire Science et Ingénierie des Matériaux et Procédés, Grenoble INP, UJF, CNRS, Domaine Universitaire BP 46, F38402 Saint Martin d'Hères, France. david.rodney@grenoble-inp.fr |
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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. |
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