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Static and dynamic structure factors and various transport coefficients are computed for a Lennard-Jones model of a binary fluid (A,B) with a symmetrical miscibility gap, varying both temperature and relative concentration of the mixture.…

Statistical Mechanics · Physics 2009-11-10 Subir K. Das , Jürgen Horbach , Kurt Binder

Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity, and thermal conductivity for 38 different dipolar two-center Lennard-Jones fluids along the bubble…

Chemical Physics · Physics 2009-06-18 G. A. Fernandez , J. Vrabec , H. Hasse

The hydrodynamics of granular gases of viscoelastic particles, whose collision is described by an impact-velocity dependent coefficient of restitution, is developed using a modified Chapman-Enskog approach. We derive the hydrodynamic…

Statistical Mechanics · Physics 2009-11-10 Nikolai Brilliantov , Thorsten Poeschel

When the concentration of electrolyte solution varies along the channel the forces arise that drag the fluid toward the higher or lower concentration region inducing a flow termed diffusio-osmotic. This article investigates a flow that…

Soft Condensed Matter · Physics 2025-12-30 Evgeny S. Asmolov , Elena F. Silkina , Olga I. Vinogradova

Although continuum theories have been proven quite robust to describe confined fluid flow at molecular length scales, molecular dynamics (MD) simulations reveal mechanistic insights into the interfacial dissipation processes. Most MD…

Fluid Dynamics · Physics 2024-02-26 Hannes Holey , Peter Gumbsch , Lars Pastewka

The electrokinetic transport in a neutral system consists of an aqueous NaCl solution confined in a nanochannel with two similar parallel phosphorene walls, and is investigated for different black, blue, red, and green phosphorene…

Soft Condensed Matter · Physics 2023-12-06 S. M. Kazem Manzoorolajdad , Hossein Hamzehpour , Jalal Sarabadani

We study nonequilibrium steady states of a one-dimensional stochastic model, originally introduced as an approximation of the Discrete Nonlinear Schr\"odinger equation. This model is characterized by two conserved quantities, namely mass…

Statistical Mechanics · Physics 2023-06-29 Stefano Iubini , Antonio Politi , Paolo Politi

We derive the pressure tensor and the heat flux to accompany the new macroscopic conservation equations that we developed previously in a volume-based kinetic framework for gas flows. This kinetic description allows for expansion or…

Fluid Dynamics · Physics 2007-05-23 S. Kokou Dadzie , Jason M. Reese

Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity,and thermal conductivity for 30 different quadrupolar two-center Lennard-Jones fluids along the bubble…

Chemical Physics · Physics 2009-06-18 G. A. Fernandez , J. Vrabec , H. Hasse

We address the description of solutes flow with trapping processes in porous media. Starting from a small-scale model for tracer particles trajectories, we derive the corresponding governing equations for the concentration of the mobile and…

Statistical Mechanics · Physics 2010-01-18 Marie-Christine Néel , Andrea Zoia , Maminirina Joelson

The study explores perpendicular transport through macroscopically inhomogeneous three-dimensional disordered conductors using mesoscopic methods (real-space Green function technique in a two-probe measuring geometry). The nanoscale samples…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Branislav K. Nikolic

We calculate in this work the Navier-Stokes transport coefficients from the Boltzmann equation for $d$-dimensional inelastic Maxwell models. By granular gas we mean here a low density system of identical spheres that lose a fraction of…

Statistical Mechanics · Physics 2015-06-18 Moisés G. Chamorro , Vicente Garzó , Francisco Vega Reyes

Transport coefficients of causal dissipative relativistic fluid dynamics (CDR) are studied in quenched lattice simulations. CDR describes the behavior of relativistic non-Newtonian fluids in which the relaxation time appears as a new…

High Energy Physics - Lattice · Physics 2010-12-13 Yu Maezawa , Hiroaki Abuki , Tetsuo Hatsuda , Tomoi Koide

Equilibrium molecular dynamics simulations are used to investigate the effect of phase transitions on the transport properties of highly-confined water between parallel graphene sheets. An abrupt reduction by several orders of magnitude in…

Computational Physics · Physics 2019-01-23 Frederike Jaeger , Omar K. Matar , Erich A. Müller

A vibrational model of transport properties of dense fluids assumes that solid-like oscillations of atoms around their temporary equilibrium positions dominate the dynamical picture. The temporary equilibrium positions of atoms do not form…

Soft Condensed Matter · Physics 2024-01-09 Sergey Khrapak

A numerical study is presented to analyze the thermal mechanisms of unsteady, supersonic granular flow, by means of hydrodynamic simulations of the Navier-Stokes granular equations. For this purpose a paradigmatic problem in granular…

Fluid Dynamics · Physics 2015-06-04 Lidia Almazán , José A. Carrillo , Clara Salueña , Vicente Garzó , Thorsten Poeschel

When colloids flow in a narrow channel, the transport efficiency is controlled by the non-equilibrium interplay between colloid-wall interactions and hydrodynamics. In this paper, a general, unifying description of colloidal dispersion flow…

Fluid Dynamics · Physics 2018-06-12 Patrice Bacchin

A liquid volume containing dissolved solutes moves through a charged nanofluidic channel under the influence of the concentration gradient of the solutes, non-trivially modulated by the electrostatic interaction between ionic liquid and…

Fluid Dynamics · Physics 2023-08-31 Pranab Kumar Mondal

A coupled quantum-classical model describing the transport of electrons confined in nanoscale semiconductor devices is considered. Using the subband decomposition approach allows to separate the transport directions from the confinement…

Analysis of PDEs · Mathematics 2012-07-02 Paola Pietra , Nicolas Vauchelet

This paper investigates the dynamic properties of a confined quasi-two-dimensional granular fluid at moderate densities, modeled within the framework of the Enskog kinetic equation. The system is described using the so-called…

Soft Condensed Matter · Physics 2026-05-06 David González Méndez , Rubén Gómez González , Vicente Garzó