Dynamical coexistence in moderately polydisperse hard-sphere glasses

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Abstract

We perform extensive numerical simulations of a paradigmatic model glass former, the hard-sphere fluid with 10% polydispersity. We sample from the ensemble of trajectories with fixed observation time, whereby single trajectories are generated by event-driven molecular dynamics. We show that these trajectories can be characterized in terms of the local structure, and we find a dynamical-structural (active-inactive) phase transition between two dynamical phases: one dominated by liquidlike trajectories with a low degree of local order and one dominated by glassylike trajectories with a high degree of local order. We show that both phases coexist and are separated by a spatiotemporal interface. Sampling exceptionally long trajectories allows us to perform a systematic finite-size scaling analysis. We find excellent agreement with Binder's scaling theory for first-order transitions. Interestingly, the coexistence region narrows at higher densities, supporting the idea of a critical point controlling the dynamic arrest. Scaling of the susceptibility suggests that the critical behavior falls into the universality class of directed percolation in 3 + 1 dimensions.

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Campo, M., & Speck, T. (2020). Dynamical coexistence in moderately polydisperse hard-sphere glasses. Journal of Chemical Physics, 152(1). https://doi.org/10.1063/1.5134842

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