Geometry of Frictionless and Frictional Sphere Packings

We study static packings of frictionless and frictional spheres in three dimensions, obtained via molecular dynamics simulations, in which we vary particle hardness, friction coefficient, and coefficient of restitution. Although frictionless packings of hard-spheres are always isostatic (with six contacts) regardless of construction history and restitution coefficient, frictional packings achieve a multitude of hyperstatic packings that depend on system parameters and construction history. Instead of immediately dropping to four, the coordination number reduces smoothly from $z=6$ as the friction coefficient $\mu$ between two particles is increased.Comment: 6 pages, 9 figures, submitted to Phys. Rev.

Statistics of the contact network in frictional and frictionless granular packings

Simulated granular packings with different particle friction coefficient mu are examined. The distribution of the particle-particle and particle-wall normal and tangential contact forces P(f) are computed and compared with existing experimental data. Here f equivalent to F/F-bar is the contact force F normalized by the average value F-bar. P(f) exhibits exponential-like decay at large forces, a plateau/peak near f = 1, with additional features at forces smaller than the average that depend on mu. Computations of the force-force spatial distribution function and the contact point radial distribution function indicate that correlations between forces are only weakly dependent on friction and decay rapidly beyond approximately three particle diameters. Distributions of the particle-particle contact angles show that the contact network is not isotropic and only weakly dependent on friction. High force-bearing structures, or force chains, do not play a dominant role in these three dimensional, unloaded packings.Comment: 11 pages, 13 figures, submitted to PR

Transitions in the Horizontal Transport of Vertically Vibrated Granular Layers

Motivated by recent advances in the investigation of fluctuation-driven ratchets and flows in excited granular media, we have carried out experimental and simulational studies to explore the horizontal transport of granular particles in a vertically vibrated system whose base has a sawtooth-shaped profile. The resulting material flow exhibits novel collective behavior, both as a function of the number of layers of particles and the driving frequency; in particular, under certain conditions, increasing the layer thickness leads to a reversal of the current, while the onset of transport as a function of frequency occurs gradually in a manner reminiscent of a phase transition. Our experimental findings are interpreted here with the help of extensive, event driven Molecular Dynamics simulations. In addition to reproducing the experimental results, the simulations revealed that the current may be reversed as a function of the driving frequency as well. We also give details about the simulations so that similar numerical studies can be carried out in a more straightforward manner in the future.Comment: 12 pages, 18 figure

Partially fluidized shear granular flows: Continuum theory and MD simulations

The continuum theory of partially fluidized shear granular flows is tested and calibrated using two dimensional soft particle molecular dynamics simulations. The theory is based on the relaxational dynamics of the order parameter that describes the transition between static and flowing regimes of granular material. We define the order parameter as a fraction of static contacts among all contacts between particles. We also propose and verify by direct simulations the constitutive relation based on the splitting of the shear stress tensor into a``fluid part'' proportional to the strain rate tensor, and a remaining ``solid part''. The ratio of these two parts is a function of the order parameter. The rheology of the fluid component agrees well with the kinetic theory of granular fluids even in the dense regime. Based on the hysteretic bifurcation diagram for a thin shear granular layer obtained in simulations, we construct the ``free energy'' for the order parameter. The theory calibrated using numerical experiments with the thin granular layer is applied to the surface-driven stationary two dimensional granular flows in a thick granular layer under gravity.Comment: 20 pages, 19 figures, submitted to Phys. Rev.

Target highlights in CASP13: experimental target structures through the eyes of their authors

The functional and biological significance of selected CASP13 targets are described by the authors of the structures. The structural biologists discuss the most interesting structural features of the target proteins and assess whether these features were correctly reproduced in the predictions submitted to the CASP13 experiment

Granular flow considerations in the design of a cascade solid breeder reaction chamber

Both horizontally and vertically oriented rotating chambers with granular material held on the inner surface by centrifugal action are examined. Modifications to the condition for controlled quasi-static flow on an incline plane, phi/sub w/ < ..cap alpha.. < phi/sub r/, where phi/sub w/ is the wall friction angle, ..cap alpha.. is the angle of inclination of the plane, and phi/sub r/ is the drained angle of repose of the material are examined for the case of horizontal and vertical surfaces of revolution. Allowed included half angles for horizontally oriented chambers are likely to be in the range of 30/sup 0/ +- 10/sup 0/ for ceramic particles and metal surfaces. For vertical orientations the maximum half-angle of the top cone is slightly less than the wall friction angle phi/sub w/ while the lower portion can have a half angle as large as (90/sup 0/ - phi/sub w). Percolation of fines through shearing granular solids is briefly discussed and recommended experimental and calculational studies to obtain a better understanding of this behavior are described