Critical slowing down in thermal soft-sphere glasses via energy minimization

Abstract

Using hybrid molecular dynamics/SWAP Monte Carlo (MD/SMC) simulations, we show that the terminal relaxation times $τ$ for FIRE energy minimization of soft-sphere glasses exhibit thermal onset as samples become increasingly well-equilibrated. Although $τ(ϕ)$ can decrease by orders of magnitude as equilibration proceeds and the jamming density $ϕ_{\rm J}$ increases via thermal onset, it always scales as $τ(ϕ) \sim (ϕ_{\rm J} - ϕ)^{-2} \sim [Z_{\rm iso} - Z_{\rm ms}(τ)]^{-2}$, where $ϕ_{\rm J}$ is the jamming density and $Z_{\rm ms}(τ)$ is the average coordination number of particles satisfying a minimal local mechanical stability criterion ($Z \geq d+1$) at the top of the final potential-energy-landscape (PEL) sub-basin the system encounters. This scaling allows us to collapse $τ$ datasets that look very different when plotted as a function of $ϕ$, and to address a closely related question: how does the character of the PEL basins that dense thermal glasses most typically occupy evolve as the glasses age at constant $ϕ$ and $T$?