S. Luding et al., ONSET OF CONVECTION IN MOLECULAR-DYNAMICS SIMULATIONS OF GRAINS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 50(3), 1994, pp. 180001762-180001765
We investigate granular materials undergoing vibrations, using a molec
ular dynamics (MD) algorithm, and we display limitations of the numeri
cal method. We show that previously reported convection patterns obtai
ned through MD may be due to the microscopic interactions. MD calculat
ions often use parameters which Lead to unphysically large contact tim
es between beads and to large density fluctuations. These in turn enha
nce the appearance of convection rolls, a numerical finding without ex
perimental counterpart.