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

Auteur(s): Odriozola Gerardo, Berthier L.

(Article) Publié: The Journal Of Chemical Physics, vol. 134 p.054504 (2011)
Texte intégral en Openaccess : arxiv


Ref HAL: hal-00562310_v1
PMID 21303135
Ref Arxiv: 1010.5607
DOI: 10.1063/1.3541248
WoS: 000287095500051
Ref. & Cit.: NASA ADS
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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.



Commentaires: 10 pages, 8 figs