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Article Dans Une Revue Journal of Chemical Physics Année : 2011

Equilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte-Carlo simulations

Résumé

We use replica exchange Monte-Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte-Carlo simulations do not easily reach thermal equilibrium. For the moderate system sizes we use (up to N=100), we find no sign of a pressure discontinuity near the location of dynamic glass singularities extrapolated using either algebraic or simple exponential divergences, suggesting they do not correspond to genuine thermodynamic glass transitions. Several scenarios are proposed for the fate of the fluid state in the thermodynamic limit.
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hal-00562310 , version 1 (09-06-2021)

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Gerardo Odriozola, Ludovic Berthier. Equilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte-Carlo simulations. Journal of Chemical Physics, 2011, 134 (5), pp.054504. ⟨10.1063/1.3541248⟩. ⟨hal-00562310⟩
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