Structure of inactive states of a binary Lennard-Jones mixture

Abstract : We study the structure of inactive states in a prototypical model glass, the Kob-Andersen binary Lennard-Jones mixture. These inactive states are obtained by transition path sampling and are at dynamical phase coexistence with an active equilibrium state. Configurations in the inactive states are kinetically stable and are located in deeper basins of the energy landscape than their active counterparts. By analyzing trajectory-to-trajectory fluctuations within the inactive state, we assess correlations between kinetic stability, energy and other structural properties. We show that measures of local order associated to stable local packings and bond-orientational order are weakly correlated with energy and kinetic stability. We discuss what kinds of structural measurement might capture the relevant dynamical features of the inactive state.
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Journal of Statistical Mechanics: Theory and Experiment, IOP Publishing, 2016, pp.074012. <10.1088/1742-5468/2016/07/074012>
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Soumis le : lundi 17 octobre 2016 - 15:23:34
Dernière modification le : jeudi 6 juillet 2017 - 10:47:56

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Daniele Coslovich, Robert L. Jack. Structure of inactive states of a binary Lennard-Jones mixture. Journal of Statistical Mechanics: Theory and Experiment, IOP Publishing, 2016, pp.074012. <10.1088/1742-5468/2016/07/074012>. <hal-01382770>

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