Related papers: Molecular dynamics of arbitrarily shaped granular …
Molecular Dynamics simulations of a coarse-grained bead-spring model of flexible macromolecules tethered with one end to the surface of a cylindrical pore are presented. Chain length $N$ and grafting density $\sigma$ are varied over a wide…
A continuum description of granular flows would be of considerable help in predicting natural geophysical hazards or in designing industrial processes. However, the constitutive equations for dry granular flows, which govern how the…
In this perspective article, we discuss the challenges of imaging assemblies of particles in three dimensions. Starting from a brief motivation for the investigation of particulate materials, we provide an overview of experimental…
Molecular dynamics has been widely used to numerically solve equation of motion of classical many-particle system. It can be used to simulate many systems including biophysics, whose complexity level is determined by the involved elements.…
Driven granular media constitute model systems in out-of-equilibrium statistical physics. By assimilating the motions of granular particles to those of atoms, by analogy, one can obtain macroscopic equivalent of phase transitions. Here, we…
Multiscale molecular modeling is widely applied in scientific research of molecular properties over large time and length scales. Two specific challenges are commonly present in multiscale modeling, provided that information between the…
We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…
The response of an oscillating granular damper to an initial perturbation is studied using experiments performed in microgravity and granular dynamics mulations. High-speed video and image processing techniques are used to extract…
When granular systems are modeled by frictionless hard spheres, particle-particle collisions are considered as instantaneous events. This implies that while the velocities change according to the collision rule, the positions of the…
A simple model of a vibrated granular monolayer is studied. It consists of inelastic hard spheres confined between two parallel hard plates separated a distance smaller than twice the diameter of the particles. Both walls are elastic and…
Molecular dynamics (MD) simulations are used in biochemistry, physics, and other fields to study the motions, thermodynamic properties, and the interactions between molecules. Computational limitations and the complexity of these problems,…
We present a multiscale simulation algorithm for amorphous materials, which we illustrate and validate in a canonical case of dense granular flow. Our algorithm is based on the recently proposed Spot Model, where particles in a dense random…
Using molecular dynamics simulation we examine dynamics in sheared polycrystal states in a binary mixture containing 10% larger particles in two dimensions. We find large stress fluctuations arising from sliding motions of the particles at…
We present a description of granular dynamics based on the idea of differentiation between fluid and solid components. First, we construct a model of completely fluidized phase. Then we discuss a shear surface motion on the boundary of the…
We report experiments on the dynamics of vibrated particles constrained in a two-dimensional vertical container, motivated by the following question: how to get the most out of a given external vibration to maximize internal disorder (e.g.…
Discrete element (DEM) simulations demonstrate that granular materials are non-simple, meaning that the incremental stiffness of a granular assembly depends on the gradients of the strain increment as well as on the strain increment itself.…
Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…
Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…
Recent models for discrete euclidean quantum gravity incorporate a sum over simplicial triangulations. We describe an algorithm for simulating such models in general dimensions. As illustration we show results from simulations in four…
Polycrystalline materials can be viewed as composites of crystalline particles or grains separated from one another by thin amorphous grain boundary (GB) regions. While GB have been exhaustively investigated at low temperatures, where these…