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Absence of thermodynamic phase transition in a model glass former

Abstract

The glass transition can be viewed simply as the point at which the viscosity of a structurally disordered liquid reaches a universal threshold value1. But this is an operational definition that circumvents fundamental issues, such as whether the glass transition is a purely dynamical phenomenon2. If so, ergodicity gets broken (the system becomes confined to some part of its phase space), but the thermodynamic properties of the liquid remain unchanged across the transition, provided they are determined as thermodynamic equilibrium averages over the whole phase space. The opposite view3,4,5,6 claims that an underlying thermodynamic phase transition is responsible for the pronounced slow-down in the dynamics at the liquid–glass boundary. Such a phase transition would trigger the dynamic standstill, and then be masked by it. Here we perform Monte Carlo simulations of a two-dimensional system of polydisperse hard disks far within its glassy phase. The approach7 allows for non-local moves in a way that preserves micro-reversibility. We find no evidence for a thermodynamic phase transition up to very high densities; the glass is thus indistinguishable from the liquid on purely thermodynamic grounds.

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Figure 1: Effective diffusion constants as a function of the radius for polydisperse hard disks.
Figure 2: Equilibrium compressibility.
Figure 3: Distribution of inherent structure densities for 15 disks with polydispersity Δ/r1 = 19.
Figure 4: Example of a cluster move at high density.

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Acknowledgements

We thank C. Alba-Simionesco, J.-L. Barrat and A. Heuer for very useful discussions. L.S. acknowledges support from the Deutsche Forschungsgemeinschaft.

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Correspondence to Werner Krauth.

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Santen, L., Krauth, W. Absence of thermodynamic phase transition in a model glass former. Nature 405, 550–551 (2000). https://doi.org/10.1038/35014561

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