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We present a systematic study of the self-diffusion coefficient for a fluid of particles interacting via the square-well pair potential by means of molecular dynamics simulations in the canonical (N,V,T) ensemble. The discrete nature of the…

Soft Condensed Matter · Physics 2018-11-14 Alexis Torres-Carbajal , Victor M. Trejos , Luz Adriana Nicasio-Collazo

The dynamics of sheared inelastic-hard-sphere systems are studied using non-equilibrium molecular dynamics simulations and direct simulation Monte Carlo. In the molecular dynamics simulations Lees-Edwards boundary conditions are used to…

Other Condensed Matter · Physics 2013-09-30 Marcus N. Bannerman , Thomas E. Green , Paul Grassia , Leo Lue

We investigate the diffusion of an intruder in a granular gas, with both components modeled as smooth hard spheres, both immersed in a low viscosity carrier fluid to form a particle-laden suspension. In this system, dissipative particle…

Soft Condensed Matter · Physics 2026-03-27 Antonio M. Puertas , Rubén Gómez González

We proposed a new extended version of Enskog theory for the description of the self-diffusion coefficient of a colloidal hard-sphere fluid adsorbed in a matrix of disordered hard-sphere obstacles. In a considered approach instead of contact…

Soft Condensed Matter · Physics 2025-06-26 M. F. Holovko , M. Ya. Korvatska

We report on measurements of self-diffusion coefficients in discrete numerical simulations of steady, homogeneous, collisional shearing flows of nearly identical, frictional, inelastic spheres. We focus on a range of relatively high solid…

Soft Condensed Matter · Physics 2021-04-01 Riccardo Artoni , Michele Larcher , James Jenkins , Patrick Richard

The penetrable-sphere model has been introduced in the literature to describe the peculiar thermodynamic behavior of some colloidal systems. In this model the interaction potential is $\phi(r)=\epsilon>0$ if the two spheres are overlapped…

Statistical Mechanics · Physics 2014-11-10 Andres Santos

We use the Enskog theory for the description of the self-diffusion coefficient of hard sphere fluids in disordered porous media. Using the scaled particle theory previously developed by us for the description of thermodynamic properties of…

Soft Condensed Matter · Physics 2020-05-26 M. F. Holovko , M. Ya. Korvatska

In this work we investigate the dynamical properties of a mixture of mutually interacting spherical molecules of different masses and sizes. From an analysis of the microscopic laws governing the motion of the molecules we derive a set of…

Soft Condensed Matter · Physics 2011-02-15 Umberto Marini Bettolo Marconi

We compare the steady state velocity distributions from our three-dimensional inelastic hard sphere molecular dynamics simulation for homogeneously heated granular media, with the predictions of a mean field-type Enskog-Boltzmann equation…

Soft Condensed Matter · Physics 2009-11-07 Sung Joon Moon , M. D. Shattuck , J. B. Swift

Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…

Soft Condensed Matter · Physics 2022-12-07 Joseph M. Monti , Gary S. Grest

The linear response description for impurity diffusion in a granular fluid undergoing homogeneous cooling is developed in the preceeding paper. The formally exact Einstein and Green-Kubo expressions for the self-diffusion coefficient are…

Soft Condensed Matter · Physics 2009-11-07 James Lutsko , J. Javier Brey , James W. Dufty

Enskog theory is extended for the description of the self-diffusion coefficient of patchy colloidal fluid in disordered porous media. The theory includes the contact values of fluid-fluid and fluid-matrix pair distribution functions that…

Soft Condensed Matter · Physics 2021-10-12 M. F. Holovko , M. Ya. Korvatska

The Enskog kinetic theory is applied to compute the mean square displacement of intruders immersed in a granular gas of smooth inelastic hard spheres (grains). Both species (intruders and grains) are surrounded by an interstitial molecular…

Soft Condensed Matter · Physics 2023-08-30 Rubén Gómez González , Enrique Abad , Santos Bravo Yuste , Vicente Garzó

Direct Monte Carlo simulations of the Enskog-Boltzmann equation for a spatially uniform system of smooth inelastic spheres are performed. In order to reach a steady state, the particles are assumed to be under the action of an external…

Statistical Mechanics · Physics 2016-08-31 J. M. Montanero , A. Santos

In our recent work on concentrated suspensions of uniformly porous colloidal spheres with excluded volume interactions, a variety of short-time dynamic properties were calculated, except for the rotational self-diffusion coefficient. This…

Soft Condensed Matter · Physics 2015-05-27 Gustavo C. Abade , Bogdan Cichocki , Maria L. Ekiel-Jezewska , Gerhard Naegele , Eligiusz Wajnryb

The self-diffusion process of a hard sphere fluid confined by two parallel plates separated by a distance on the order of the particle diameter is studied. The starting point is a closed kinetic equation for the distribution function that…

Statistical Mechanics · Physics 2025-10-24 Manuel Mayo , María Isabel García de Soria , Pablo Maynar , José Javier Brey

A practical correction formula relating the self-diffusion coefficient of dense liquids from molecular dynamics simulations with periodic boundary conditions to the self-diffusion coefficient in the thermodynamic limit is discussed. This…

Statistical Mechanics · Physics 2024-02-15 Sergey Khrapak

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…

Soft Condensed Matter · Physics 2014-11-26 D. C. Rapaport

We present molecular dynamics simulations of mono- or bidisperse inelastic granular gases driven by vibrating walls, in two dimensions (without gravity). Because of the energy injection at the boundaries, a situation often met…

Statistical Mechanics · Physics 2009-11-07 Alain Barrat , Emmanuel Trizac

Molecular dynamics computer simulation has been used to compute the self-diffusion coefficient, and shear viscosity of soft-sphere fluids, in which the particles interact through the soft-sphere or inverse power pair potential. The…

Soft Condensed Matter · Physics 2010-03-22 Yu. D. Fomin , V. V. Brazhkin , V. N. Ryzhov
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