Related papers: Molecular dynamics of arbitrarily shaped granular …
This article is an invitation. It is, first, an invitation to consider as a subject worthy of attention the wide range of situations where small discrete elements, either bubbles, droplets or solid particles, are embedded in turbulent…
The filtration of fluid in 2D porous medium is simulated by the molecular dynamics technique. The high concentration of fluid is created at the initial point in time and the number of fluid particles is investigated in all porous. The…
We consider a phase field crystal modeling approach for binary mixtures of interacting active and passive particles. The approach allows to describe generic properties for such systems within a continuum model. We validate the approach by…
Three-dimensional molecular dynamics simulations of dissipative particles (~ 10^6) are carried out for studying the clustering kinetics of granular media during cooling. The inter-connected high particle density regions are identified,…
The properties of polymer liquids on hard and soft substrates are investigated by molecular dynamics simulation of a coarse-grained bead-spring model and dynamic single-chain-in-mean-field (SCMF) simulations of a soft, coarse-grained…
Discrete simulation methods are efficient tools to investigate the complex behaviors of complex fluids made of either dry granular materials or dilute suspensions. By contrast, materials made of soft and/or concentrated units (emulsions,…
Molecular dynamics simulation is used to model the self-assembly of polyhedral shells containing 180 trapezoidal particles that correspond to the T=3 virus capsid. Three kinds of particle, differing only slightly in shape, are used to…
A simple geometrical model is presented for the gravity-driven motion of a single particle on a rough inclined surface. Adopting a simple restitution law for the collisions between the particle and the surface, we arrive at a model in which…
We investigate the behaviour of a system of particles with the different character of interaction. The approach makes it possible to describe systems of interacting particles by statistical methods taking into account a spatial…
Granular materials are complex multi-particle ensembles in which macroscopic properties are largely determined by inter-particle interactions between their numerous constituents. In order to understand and to predict their macroscopic…
We have used particle tracking methods to study the dynamics of individual balls comprising a granular flow in a small-angle two-dimensional funnel. We statistically analyze many ball trajectories to examine the mechanisms of shock…
This paper deals with the complex problem of how to simulate multiparticle contacts. The collision process is responsible for the transfer and dissipation of energy in granular media. A novel model of the interaction force between particles…
We discuss a class of models for particulate gels in which the particle contacts are described by an effective interaction combining a two-body attraction and a three-body angular repulsion. Using molecular dynamics, we show how varying the…
Semi-empirical molecular dynamics is used to simulate several gaseous atomic hydrogen interactions with hydrocarbon grains in space: recoil, adsorption, diffusion, chemisorption and recombination into molecular hydrogen. Their probabilities…
This paper exposes a novel exploratory formalism, which end goal is the numerical simulation of the dynamics of a cloud of particles weakly or strongly coupled with a turbulent fluid. Giventhe large panel of expertise of the list of…
We suggest a simple model for the dynamics of granular particles in suspension which is suitable for an event driven algorithm, allowing to simulate $N=\mathcal{O}(10^6)$ particles or more. As a first application we consider a dense…
A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…
The formation of novel dynamical states for a collection of dust particles in two dimensions has been shown with the help of Molecular Dynamics (MD) simulation. The charged dust particles interact with each other with Yukawa pair potential…
Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…
We use a computational model to investigate the emergence of interaction forces between pairs of intruders in a horizontally vibrated granular fluid. The time evolution of a pair of particles shows a maximum of the likelihood to find the…