We investigate the replica theory of the liquid-glass transition for a binary mixture of large and small additive hard spheres. We consider two different ansatze for this problem: the frozen glass ansatz (FGA) in which the exchange of large and small particles in a glass state is prohibited, and the exchange glass ansatz (EGA), in which it is allowed. We calculate the dynamical and thermodynamical glass transition points with the two ansatze. We show that the dynamical transition density of the FGA is lower than that of the EGA, while the thermodynamical transition density of the FGA is higher than that of the EGA. We discuss the algorithmic implications of these results for the density-dependence of the relaxation time of supercooled liquids. We particularly emphasize the difference between the standard Monte Carlo and swap Monte Carlo algorithms. Furthermore, we discuss the importance of particle exchange for estimating the configurational entropy.
Effect of particle exchange on the glass transition of binary hard spheres / Ikeda, H; Zamponi, F. - In: JOURNAL OF STATISTICAL MECHANICS: THEORY AND EXPERIMENT. - ISSN 1742-5468. - (2019). [10.1088/1742-5468/ab0c1a]
Effect of particle exchange on the glass transition of binary hard spheres
Zamponi F
2019
Abstract
We investigate the replica theory of the liquid-glass transition for a binary mixture of large and small additive hard spheres. We consider two different ansatze for this problem: the frozen glass ansatz (FGA) in which the exchange of large and small particles in a glass state is prohibited, and the exchange glass ansatz (EGA), in which it is allowed. We calculate the dynamical and thermodynamical glass transition points with the two ansatze. We show that the dynamical transition density of the FGA is lower than that of the EGA, while the thermodynamical transition density of the FGA is higher than that of the EGA. We discuss the algorithmic implications of these results for the density-dependence of the relaxation time of supercooled liquids. We particularly emphasize the difference between the standard Monte Carlo and swap Monte Carlo algorithms. Furthermore, we discuss the importance of particle exchange for estimating the configurational entropy.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.


