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We study the dynamical properties of a two-dimensional ensemble of self-propelled dumbbells with only repulsive interactions. This model undergoes a phase transition between a homogeneous and a segregated phase and we focus on the former.…

Statistical Mechanics · Physics 2015-05-19 Leticia F. Cugliandolo , Giuseppe Gonnella , Antonio Suma

The diffusion of finite-size hard-core interacting particles in two- or three-dimensional confined domains is considered in the limit that the confinement dimensions become comparable to the particle's dimensions. The result is a nonlinear…

Mathematical Physics · Physics 2017-03-23 Maria Bruna , S. Jonathan Chapman

Rotational effects are commonly neglected when considering the dynamics of freely rising or settling isotropic particles. Here, we demonstrate that particle rotations play an important role for rising as well as for settling cylinders in…

We investigate the single-file dynamics of a tagged particle in a system consisting of N hardcore interacting particles (the particles cannot pass each other) which are diffusing in a one-dimensional system where the particles have…

Statistical Mechanics · Physics 2009-11-13 Tobias Ambjornsson , Ludvig Lizana , Michael A. Lomholt , Robert J. Silbey

Brownian diffusion of rod-like polymers in the presence of randomly distributed spherical obstacles is studied using molecular dynamics (MD) simulations. It is observed that dependence of the reduced diffusion coefficient of these…

Soft Condensed Matter · Physics 2015-05-20 Farzaneh Sakha , Hossein Fazli

Based on a coarse-grained model, we carry out molecular dynamics simulations to analyze the diffusion of a small tracer particle inside a cylindrical channel whose inner wall is covered with randomly grafted short polymeric chains. We…

Soft Condensed Matter · Physics 2013-06-20 Rajarshi Chakrabarti , Stefan Kesselheim , Peter Kosovan , Christian Holm

An impact of particles' roughness on the self-diffusion coefficient in granular gases is investigated. For a simplified collision model where the normal and tangential restitution coefficients are assumed to be constant we develop an…

Statistical Mechanics · Physics 2012-01-19 Anna Bodrova , Nikolai Brilliantov

Using molecular dynamics simulations, we show that free diffusion of a nanoscale particle (molecule) with asymmetric structure critically depends on the orientation in a finite timescale of picoseconds to nanoseconds. In a timescale of ~100…

Soft Condensed Matter · Physics 2013-07-29 Nan Sheng , Yusong Tu , Pan Guo , Rongzheng Wan , Haiping Fang

Diffusion barriers for a cluster of three water molecules on Pd(111) have been estimated from ab-initio Density Functional Theory. A model for the diffusion of the trimer based in rotations yields a simple explanation of why the cluster can…

Materials Science · Physics 2016-04-04 Victor A. Ranea , P. L. de Andres

Diffusion MRI may enable non-invasive mapping of axonal microstructure. Most approaches infer axon diameters from effects of time-dependent diffusion on the diffusion-weighted MR signal by modelling axons as straight cylinders. Axons do…

Medical Physics · Physics 2019-03-13 Jan Brabec , Samo Lasic , Markus Nilsson

Diffusive transport properties of a quantum Brownian particle moving in a tilted spatially periodic potential and strongly interacting with a thermostat are explored. Apart from the average stationary velocity, we foremost investigate the…

Statistical Mechanics · Physics 2009-11-11 L. Machura , M. Kostur , P. Talkner , J. Luczka , P. Hänggi

We quantitatively study the interaction between diffusion and mixing in both the continuous, and discrete time setting. In discrete time, we consider a mixing dynamical system interposed with diffusion. In continuous time, we consider the…

Analysis of PDEs · Mathematics 2019-05-22 Yuanyuan Feng , Gautam Iyer

We reveal the microscopic self-diffusion process of compact tri-interstitials in silicon using a combination of molecular dynamics and nudged elastic band methods. We find that the compact tri-interstitial moves by a collective…

Friction at the endwalls of partially-filled horizontal rotating tumblers induces curvature and axial drift of particle trajectories in the surface flowing layer. Here we describe the results of a detailed discrete element method study of…

Soft Condensed Matter · Physics 2022-01-19 Umberto d'Ortona , Nathalie Thomas , Richard Lueptow

Up to date, inertial migration of particles in microflows has demonstrated a great potential for a wide range of applications. In particular, this phenomenon is used to achieve particle separation or sorting in a suspension. Recent works…

Soft Condensed Matter · Physics 2019-07-29 Tohme Tohme , Yanfeng Gao , Pascale Magaud , Lucien Baldas , Christine Lafforgue , Stéphane Colin

We combine a DEM simulation with a stochastic process to model the movement of spherical particles in a turbulent channel flow. With this model we investigate the mixing properties of two species of particles flowing through the channel. We…

Fluid Dynamics · Physics 2011-06-20 Thomas Burgener , Dirk Kadau , Hans J. Herrmann

We study nanomechanical resonators with frequency fluctuations due to diffusion of absorbed particles. The diffusion depends on the vibration amplitude through inertial effect. We find that, if the diffusion coefficient is sufficiently…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 J. Atalaya , A. Isacsson , M. I. Dykman

Transport and diffusion of paramagnetic ellipsoidal particles under the action of a rotating magnetic field are numerically investigated in a two-dimensional channel. It is found that paramagnetic ellipsoidal particles in a rotating…

Soft Condensed Matter · Physics 2018-08-01 Jingjing Liao , Weijing Zhu , Baoquan Ai

The emergent dynamics in phase-separated mixtures of isometric active and passive Brownian particles is studied numerically in two dimensions. A novel steady-state of well-defined traveling fronts is observed, where the interface between…

Soft Condensed Matter · Physics 2024-06-03 Adam Wysocki , Roland G. Winkler , Gerhard Gompper

Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…

Soft Condensed Matter · Physics 2013-01-10 Shengfeng Cheng , Gary S. Grest
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