Configurational entropy of hard spheres

TL;DR

This study numerically evaluates the configurational entropy of binary hard sphere mixtures, revealing its decrease with packing fraction and potential zero at the Kauzmann point, supporting the ideal glass transition hypothesis.

Contribution

It introduces a less assumption-dependent numerical method to compute configurational entropy in hard sphere systems.

Findings

S_conf decreases with packing fraction f

S_conf extrapolates to zero at f_K=0.62

Adam-Gibbs relation holds in the system

Abstract

We numerically calculate the configurational entropy S_conf of a binary mixture of hard spheres, by using a perturbed Hamiltonian method trapping the system inside a given state, which requires less assumptions than the previous methods [R.J. Speedy, Mol. Phys. 95, 169 (1998)]. We find that S_conf is a decreasing function of packing fraction f and extrapolates to zero at the Kauzmann packing fraction f_K = 0.62, suggesting the possibility of an ideal glass-transition for hard spheres system. Finally, the Adam-Gibbs relation is found to hold.