Improved velocity-Verlet algorithm for the discrete element method

Abstract

The Discrete Element Method is widely employed for simulating granular flows, but conventional integration techniques may produce unphysical results for simulations with static friction when particle size ratios exceed $R\approx 3$. These inaccuracies arise under certain circumstances because some variables in the velocity-Verlet algorithm are calculated at the half-timestep, while others are computed at the full timestep. To correct this, we develop an improved velocity-Verlet integration algorithm to ensure physically accurate outcomes up to the largest size ratios examined ($R=100$). The implementation of this improved synchronized_verlet integration method within the LAMMPS framework is detailed, and its effectiveness is validated through a simple three-particle test case and a more general example of granular flow in mixtures with large size-ratios, for which we provide general guidelines for selecting simulation parameters and accurately modeling inelasticity in large particle size-ratio simulations.