Recent developments and applications of LAMMPS capabilities for simulations of granular media

Dan S. Bolintineanu

Sandia National Laboratories

We discuss recent and ongoing developments in LAMMPS capabilities for modeling granular media. In granular models, the underlying algorithms are the same as conventional molecular dynamics, but atoms are replaced with macroscopic particles; the collective dynamics of these particles (grains) are simulated to capture the behavior of powders and particulate media. Recent developments in this area include enhanced contact models (pair styles) that account for rolling/twisting friction and cohesion; moving boundaries (walls) composed of combinations of geometric primitives; rigid body dynamics of clumped, overlapping spheres to represent grains of arbitrary shape; and triangle/sphere interaction models to allow the representation of arbitrarily complex surfaces. Potential applications are discussed, ranging from additive manufacturing to climate modeling.