Related papers: Simulation and experiment of gas diffusion in a gr…
Continuum fluid dynamic models based on the Navier-Stokes equations have previously been used to simulate granular media undergoing fluid-like shearing. These models, however, typically fail to predict the flow behaviour in confined…
We propose a general methodology for calculating the self-diffusion tensor from molecular dynamics for a liquid with a liquid-gas or liquid-solid interface. The standard method used in bulk fluids, based on computing the mean square…
We study in this work the dynamics of a granular impurity immersed in a low-density granular gas of identical particles. For description of the kinetics of the granular gas and the impurity particles we use the rough hard sphere collisional…
The mechanism of diffusing diffusivity predicts that, in environments where the diffusivity changes gradually, the displacement distribution becomes non-Gaussian, even though the mean-squared displacement (MSD) grows linearly with time.…
A molecule traveling in a realistic propagation environment can experience stochastic interactions with other molecules and the environment boundary. The statistical behavior of some isolated phenomena, such as dilute unbounded molecular…
Diffusion in an evolving environment is studied by continuos-time Monte Carlo simulations. Diffusion is modelled by continuos-time random walkers on a lattice, in a dynamic environment provided by bubbles between two one-dimensional…
This work presents a detailed mathematical model combined with an innovative efficient numerical model to predict heat, air and moisture transfer through porous building materials. The model considers the transient effects of air transport…
Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
The standard approach to obtaining knowledge about the properties of the surface layer of a comet from observations of gas production consists of two stages. First, various thermophysical models are used to calculate gas production for a…
We present an analytical and numerical study of a nonlinear diffusion model which describes density relaxation of loosely packed particles under gravity and weak random (thermal) vibration, and compare the results with Monte Carlo…
Cross-diffusion systems arise as hydrodynamic limits of lattice multi-species interacting particle models. The objective of this work is to provide a numerical scheme for the simulation of the cross-diffusion system identified in [J.…
A multiphysics modeling approach for heat conduction in metal hydride powders is presented, including particle shape distribution, size distribution, granular packing structure, and effective thermal conductivity. A statistical geometric…
The existing kinetic theory of gases is based on an analytical approach that becomes intractable for all but the simplest molecules. Here we propose a simple numerical scheme to compute the transport properties of molecular gases in the…
A microscopic, driven lattice gas model is proposed for the dynamics and spatio-temporal fluctuations of the precursor film observed in spreading experiments. Matter is transported both by holes and particles, and the distribution of each…
In most of the literature on granular gases it is assumed that the restitution coefficient \epsilon, which quantifies the loss of kinetic energy upon a collision is independent on the impact velocity. Experiments as well as theoretical…
A rarefied gas is considered in a channel consisting of two infinite parallel plates between which an evenly spaced array of smaller plates is arranged normal to the channel direction. Each of these smaller plates is assumed to possess one…
With renewed interest in CO2 separations, carbon molecular sieving (CMS) membrane performance evaluation requires diffusion coefficients as inputs to have reliable estimate of the permeability. An optimal material is desired to have both…
Low-dimensional periodic arrays of scatterers with a moving point particle are ideal models for studying deterministic diffusion. For such systems the diffusion coefficient is typically an irregular function under variation of a control…
The diffusion of a bulk absorbed gas species out of spherical pebbles is studied analytically, stressing the usefulness of the time integral of the diffusion coefficient for analysis of arbitrary temperature schedule experiments. Highly…
Kinetically-constrained models are lattice-gas models that are used for describing glassy systems. By construction, their equilibrium state is trivial and there are no equal-time correlations between the occupancy of different sites. We…