相关论文: Transport in a highly asymmetric binary fluid mixt…

This work derives the Navier--Stokes hydrodynamic equations for a model of a confined, quasi-two-dimensional, $s$-component mixture of inelastic, smooth, hard spheres. Using the inelastic version of the revised Enskog theory, macroscopic…

Transport properties of liquid methanol and ethanol are predicted by molecular dynamics simulation. The molecular models for the alcohols are rigid, non-polarizable and of united-atom type. They were developed in preceding work using…

We calculate using molecular dynamics simulations the transport properties of realistically modeled fluid argon at pressures up to $\simeq 50GPa$ and temperatures up to $3000K$. In this context we provide a critique of some newer…

Under many conditions, macroscopic grains flow like a fluid; kinetic theory pred icts continuum equations of motion for this granular fluid. In order to test the theory, we perform event driven molecular simulations of a two-dimensional gas…

Molecular dynamics simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo formula in equilibrium MD (EMD) simulations or using…

The Enskog kinetic theory for moderately dense granular suspensions is considered as a model to determine the Navier-Stokes transport coefficients. The influence of the interstitial gas on solid particles is modeled by a viscous drag force…

We develop a general theory for thermal transport in anharmonic systems under the weak system-bath coupling approximation similar to the quantum master equation formalism. A current operator is derived, which is valid not only in the steady…

In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which…

The viscosity and thermal conductivity of binary, ternary and quaternary mixtures of helium, neon, argon, and krypton at low density are computed for wide ranges of temperature and molar fractions, applying the Chapman-Enskog method. Ab…

It is well-recognized that granular media under rapid flow conditions can be modeled as a gas of hard spheres with inelastic collisions. At moderate densities, a fundamental basis for the determination of the granular hydrodynamics is…

The Navier--Stokes transport coefficients of multicomponent granular suspensions at moderate densities are obtained in the context of the (inelastic) Enskog kinetic theory. The suspension is modeled as an ensemble of solid particles where…

The shear viscosities, long-time self-diffusion coefficients, and sedimentation velocities in monodisperse and bidisperse hard-sphere colloidal suspensions are simulated for volume fractions up to 0.40 using multiparticle collision dynamics…

In the present work, we deal with a binary mixture of diluted relativistic gases within the framework of the kinetic theory. The analysis is made within the framework of the Boltzmann equation. We assume that the gas is under the influence…

Thermal transport properties of amorphous carbon has attracted increasing attention due to its extreme thermal properties: It has been reported to have among the highest thermal conductivity for bulk amorphous solids up to $\sim$ 37…

Transport properties of a suspension of solid particles in a viscous gas are studied. The dissipation in such systems arises from two sources: inelasticity in particle collisions and viscous dissipation due to the effect of the gas phase on…

Molecular dynamics simulations are used to model the thermal properties of a fluid containing solid nanoparticles (nanofluid). The flexibility of molecular simulation allows us to consider the effects of particle mass, particle-particle and…

Understanding phononic heat transport processes in molecular junctions is a central issue in the developing field of nanoscale heat conduction and manipulation. Here we present a Stochastic Nonequlibrium Molecular Dynamics simulation…

Using molecular dynamics simulations, we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity…

The Enskog kinetic theory of multicomponent granular suspensions employed previously [G\'omez Gonz\'alez, Khalil, and Garz\'o, Phys. Rev. E \textbf{101}, 012904 (2020)] is considered further to determine the four transport coefficients…

The thermal conductivity of nanoparticles colloidal suspensions, submitted to the action of an external force field has been calculated by non equilibrium molecular dynamics simulations. For driven forces in the radio frequency and…