Robert S. Hoy

Dec 31, 2024 | pubs.acs.org | Robert S. Hoy

Jun 24, 2024 | link.aps.org | Peter Morse |Robert S. Hoy |Kevin A. Interiano-Alberto

Using hybrid molecular dynamics/SWAP Monte Carlo (MD/SMC) simulations, we show that while the terminal relaxation times for FIRE energy minimization of soft-sphere glasses can decrease by orders of magnitude as sample equilibration proceeds and the jamming density increases, they always scale as , where and is the average coordination number of particles satisfying a minimal local mechanical stability criterion () at the top of the final potential-energy-landscape (PEL) sub-basin the system...

Apr 15, 2024 | link.aps.org | Robert S. Hoy

We observe homogeneous crystallization in simulated high-dimensional (d>3) liquids that follow physically realistic dynamics and have system sizes that are large enough to eliminate the possibility that crystallization was induced by the periodic boundary conditions. Supercooled four-dimensional (4D) Lennard-Jones (LJ) liquids maintained at zero pressure and constant temperatures 0.59<T<0.63 crystallized within ∼2×104τ, where τ is the LJ time unit.