Molecular dynamics simulation of complex particles in three dimensions and the study of friction due to nonconvexity.

We investigate the macroscopic properties of frictionless nonconvex particles using molecular dynamics. The calculations are based on a simple and efficient method to simulate complex-shaped interacting bodies. The particle shape is represented by Minkowski operators. A multicontact time-continuous interaction between bodies is derived using simple concepts of computational geometry. Three-dimensional simulations of hopper flow show that the nonconvexity of the particles strongly affects the jamming on granular flow. Also the model allows the representation of complex bodies with rough surfaces as in friction studies and the reproduction of a wide range of friction and dilatancy angles as in true triaxial tests.

Effect of rolling on dissipation in fault gouges.

Sliding and rolling are two outstanding deformation modes in granular media. The first one induces frictional dissipation whereas the latter one involves deformation with negligible resistance. Using numerical simulations on two-dimensional shear cells, we investigate the effect of the grain rotation on the energy dissipation and the strength of granular materials under quasistatic shear deformation. Rolling and sliding are quantified in terms of the so-called Cosserat rotations. The observed spontaneous formation of vorticity cells and clusters of rotating bearings may provide an explanation for the long standing heat flow paradox of earthquake dynamics.

Characterization of the material response in granular ratcheting.

The existence of a very special ratcheting regime has recently been reported in a granular packing subjected to cyclic loading. In this state, the system accumulates a small permanent deformation after each cycle. The value of this permanent strain accumulation becomes independent of the number of cycles after a short transient regime. We show in this paper that a characterization of the material response in this peculiar state is possible in terms of three simple macroscopic variables. The definition of these variables is such that they can be easily measured both in the experiments and in the simulations. A thorough investigation of the micro- and macromechanical factors affecting these variables has been carried out by means of molecular-dynamics simulations of a polydisperse disk packing, as a simple model system for granular material. Biaxial test boundary conditions with periodically varying load were implemented. The effect on the plastic response of the confining pressure, the deviatoric stress, and the number of cycles has been investigated. The stiffness of the contacts and friction has been shown to play an important role in the overall response of the system. Especially illustrative is the influence of the peculiar hysteretical behavior in the stress-strain space on the accumulation of permanent strain and the energy dissipation.

Role of anisotropy in the elastoplastic response of a polygonal packing.

We study the effect of the anisotropy induced by loading on the elastoplastic response of a two dimensional discrete element model granular material. The anisotropy of the contact network leads to a breakdown of the linear isotropic elasticity. We report on a linear dependence of the Young moduli and Poisson ratios on the fabric coefficients, measuring the anisotropy of the contact network. The resulting nonassociated plastic flow rule and the linear relationship between dilatancy and stress ratio are discussed in terms of several existing models. We propose a paradigm for understanding soil plasticity, based on the correlation between the plastic flow rule and the induced anisotropy on the subnetwork of sliding contacts.

Calculation of the incremental stress-strain relation of a polygonal packing.

The constitutive relation of the quasistatic deformation on two-dimensional packed samples of polygons is calculated using molecular dynamics simulations. The stress values at which the system remains stable are bounded by a failure surface, which shows a power law dependence on the pressure. Below the failure surface, nonlinear elasticity and plastic deformation are obtained, which are evaluated in the framework of the incremental linear theory. The results show that the stiffness tensor can be directly related to the microcontact rearrangements. The plasticity obeys a nonassociated flow rule with a plastic limit surface that does not agree with the failure surface.

Bottlenecks in granular flow: when does an obstacle increase the flow rate in an hourglass?

Bottlenecks occur in a wide range of situations from pedestrians, ants, cattle, and traffic flow to the transport of granular materials. We examine granular flow across a bottleneck using simulations of monodisperse disks. Contrary to expectations but consistent with previous work, we find that the flow rate across a bottleneck actually increases if an obstacle is optimally placed before it. Using the hourglass theory and a velocity-density relation, we show that the peak flow rate corresponds to a transition from free flow to congested flow, similar to the phase transition in traffic flow.

Minkowski-Voronoi diagrams as a method to generate random packings of spheropolygons for the simulation of soils.

Minkowski operators (dilation and erosion of sets in vector spaces) have been extensively used in computer graphics, image processing to analyze the structure of materials, and more recently in molecular dynamics. Here, we apply those mathematical concepts to extend the discrete element method to simulate granular materials with complex-shaped particles. The Voronoi-Minkowski diagrams are introduced to generate random packings of complex-shaped particles with tunable particle roundness. Contact forces and potentials are calculated in terms of distances instead of overlaps. By using the Verlet method to detect neighborhood, we achieve CPU times that grow linearly with the body's number of sides. Simulations of dissipative granular materials under shear demonstrate that the method maintains conservation of energy in accord with the first law of thermodynamics. A series of simulations for biaxial test, shear band formation, hysteretic behavior, and ratcheting show that the model can reproduce the main features of real granular-soil behavior.

Ratcheting of granular materials.

We investigate the quasistatic mechanical response of soils under cyclic loading using a discrete model of randomly generated convex polygons. This response exhibits a sequence of regimes, each one characterized by a linear accumulation of plastic deformation with the number of cycles. At the grain level, a quasiperiodic ratchetlike behavior is observed at the contacts, which excludes the existence of an elastic regime. The study of this slow dynamics allows exploration of the role of friction in the permanent deformation of unbound granular materials subjected to cyclic loading.