Related papers: Comparing Simulation and Experiment of a 2D Granul…

Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used.…

Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

In this paper, the grinding of powder inside a ball mill is studied using the Bonded Cell Method (BCM) implemented in the framework of Contact Dynamics. In BCM the parent particles are divided into cells that are glued to one another until,…

We demonstrate the densification of a granular model system of polystyrene spheres over time by shaking with varying excitation amplitudes or effective temperatures. This densification is quantified by the mean square displacement (MSD),…

We discuss in two companion papers (arXiv:1802.03737 and the present manuscript) how Fourier-space measurements may be coupled to rheological tests in order to elucidate the relationship between mechanical properties and microscopic…

We perform experimental and numerical studies of a granular system under cyclic-compression to investigate reversibility and memory effects. We focus on the quasi-static forcing of dense systems, which is most relevant to a wide range of…

Molecular dynamics refers to the computer simulation of a material at the atomic level. An open problem in numerical analysis is to explain the apparent reliability of molecular dynamics simulations. The difficulty is that individual…

Simulations of condensed matter systems often focus on the dynamics of a few distinguished components but require integrating the dynamics of the full system. A prime example is a molecular dynamics simulation of a (macro)molecule in…

A numerical model able to simulate the grain breakage with the discrete element method, using the "Non-Smooth Contact Dynamics" is presented. The model reproduces 3D grains having complex shapes and is tested in single grain and in…

To explore what features of multi-dimensional training can be remembered in granular materials, the response of a small, two-dimensional packing of hydrogel spheres to two independent types of shear is measured. Packings are trained via the…

Wetting and drying of a rigid substrate by a Lennard-Jones fluid in molecular dynamics simulations is reported. The size of the substrate particles, being smaller than the fluid particles in former simulations, is now taken to be equal to,…

Atomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and length-scales accessible with such…

The unique ability of magnetic resonance imaging (MRI) to provide spatial and temporal information from optically opaque systems, in three dimensions, make it an ideal tool to study the internal motion of rapid granular flows. This paper…

We developed a novel experimental technique to generate mechanically stable (MS) packings of frictionless granular disks. We performed a series of coordinated experiments and numerical simulations to enumerate the MS packings in small 2D…

We present a promising coarse-graining strategy for linking micro- and mesoscales of soft matter systems. The approach is based on effective pairwise interaction potentials obtained from detailed atomistic molecular dynamics (MD)…

We use particle-based simulation to study the rheology of dense suspensions comprising mixtures of small colloids and larger grains, which exhibit shear thinning at low shear rates and shear thickening at high shear rates. By systematically…

In this paper we introduce 1-$D$ and 2-$D$ discrete models for the dynamic granular matter formation process in the form of a system of difference equations. This approach allows us to differentiate between the influx of the rolling layer…

Molecular dynamics simulations are carried out to investigate mechanical properties and porous structure of binary glasses subjected to steady shear. The model vitreous systems were prepared via thermal quench at constant volume to a…

We report on a numerical study of the shear flow of a simple two-dimensional model of a granular material under controlled normal stress between two parallel smooth, frictional walls, moving with opposite velocities $\pm$V . Discrete…

We have used an NMR technique to measure the short-time, three-dimensional displacement of grains in a system of mustard seeds vibrated vertically at 15g. The technique averages over a time interval in which the grains move ballistically,…