A Free Energy Landscape for Cage Breaking of Three Hard Disks

Abstract: We investigate cage breaking in dense hard disk systems using a model of three Brownian disks confined within a circular corral. This system has a six-dimensional configuration space, but can be equivalently thought to explore a symmetric one-dimensional free energy landscape containing two energy minima separated by an energy barrier. The exact free energy landscape can be calculated as a function of system size. Results of simulations show the average time between cage breaking events follows an Arrhenius scaling when the energy barrier is large. We also discuss some of the consequences of using a one-dimensional representation to understand dynamics in a multi-dimensional space, such as diffusion acquiring spatial dependence and discontinuities in spatial derivatives of free energy.