Event-Driven Molecular Dynamics in Parallel

Although event-driven algorithms have been shown to be far more efficient than time-driven methods such as conventional molecular dynamics, they have not become as popular. The main obstacle seems to be the difficulty of parallelizing event-driven molecular dynamics. Several basic ideas have been discussed in recent years, but to our knowledge no complete implementation has been published yet. In this paper we present a parallel event-driven algorithm including dynamic load-balancing, which can be easily implemented on any computer architecture. To simplify matters our explanations refer to a basic multi-particle system of hard spheres, but can be extended easily to a wide variety of possible models.Comment: 10 pages, 9 figure

Mean Field theory for a driven granular gas of frictional particles

We propose a mean field (MF) theory for a homogeneously driven granular gas of inelastic particles with Coulomb friction. The model contains three parameters, a normal restitution coefficient $r_n$, a maximum tangential restitution coefficient $r_t^m$, and a Coulomb friction coefficient $\mu$. The parameters can be tuned to explore a wide range of physical situations. In particular, the model contains the frequently used $\mu \to \infty$ limit as a special case. The MF theory is compared with the numerical simulations of a randomly driven monolayer of spheres for a wide range of parameter values. If the system is far away from the clustering instability ($r_n \approx 1$), we obtain a good agreement between mean field and simulations for $\mu=0.5$ and $r_t^m=0.4$, but for much smaller values of $r_n$ the agreement is less good. We discuss the reasons of this discrepancy and possible refinements of our computational scheme.Comment: 6 pages, 3 figures (10 *.eps files), elsart style (macro included), in Proceedings of the International Conference "Statistical Mechanics and Strongly Correlated Systems", University of Rome "La Sapienza" (Italy), 27-29 September 199

Acoustic waves in granular materials

Dynamic simulations with discrete elements are used to obtain more insight into the wave propagation in dense granular media. A small perturbation is created on one side of a dense, static packing and examined during its propagation until it arrives at the opposite side. The influence of polydispersity is studied by randomly varying the particle sizes by a tiny amount. A size variation comparable to (or larger than) the typical contact deformation, considerably changes sound propagation, i.e., the transmission spectrum becomes discontinuous and lower frequencies are transmitted better in the polydisperse packing. The inter-particle friction affects the dispersion relation, it increases the propagation speed and leads to an extended linear, large wavelength regime

How to handle the inelastic collapse of a dissipative hard-sphere gas with the TC model

The inelastic hard sphere model of granular material is simple, easily accessible to theory and simulation, and captures much of the physics of granular media. It has three drawbacks, all related to the approximation that collisions are instantaneous: 1) The number of collisions per unit time can diverge, i.e. the ``inelastic collapse'' can occur. 2) All interactions are binary, multiparticle contacts cannot occur and 3) no static limit exists. We extend the inelastic hard sphere model by defining a duration of contact t_c such that dissipation is allowed only if the time between contacts is larger than t_c. We name this generalized model the ``TC model'' and discuss it using examples of dynamic and static systems. The contact duration used here does not change the instantaneous nature of the hard sphere contacts, but accounts for a reduced dissipation during ``multiparticle contacts''. Kinetic and elastic energies are defined as well as forces and stresses in the system. Finally, we present event-driven numerical simulations of situations far beyond the inelastic collapse, possible only with the TC model.Comment: 15 pages, Latex, 14 bw.ps figures + 2 col.ps figures, to be published in Granular Matter 1(3) 199

A continuum approach applied to a strongly confined Lennard-Jones fluid

Results from molecular dynamics simulations are analyzed with a continuum approach. It is shown that for strongly confined fluids the Navier-Stokes equations for incompressible, Newtonian fluids are not applicable over the whole channel. Near the walls, a Knudsen layer is formed and interesting oscillatory structures are seen, the fluid behaves non-Newtonian in these regions