Related papers: Self-diffusion and binary Maxwell-Stefan diffusion…
A semiclassical theory of single and multi-mode lasing is derived for open complex or random media using a self-consistent linear response formulation. Unlike standard approaches which use closed cavity solutions to describe the lasing…
A mathematical model is proposed where the classical Maxwell-Stefan diffusion model for gas mixtures is coupled to an advection-type equation for the temperature of the physical system. This coupled system is derived from first principles…
A steady self-diffusion process in a gas of hard spheres at equilibrium is analyzed. The system exhibits a constant gradient of labeled particles. Neither the concentration of these particles nor its gradient are assumed to be small. It is…
The diffusion coefficient of a circular shaped inclusion in a liquid membrane is investigated by taking into account the interaction between membranes and bulk solvents of arbitrary thickness. As illustrative examples, the diffusion…
A general dispersion-dissipation condition for finite difference schemes is derived by analyzing the numerical dispersion and dissipation of explicit finite-difference schemes. The proper dissipation required to damp spurious…
In assumed probability density function (pdf) methods of turbulent combustion, the shape of the scalar pdf is assumed a priori and the pdf is parametrized by its moments for which model equations are solved. In non-premixed flows the beta…
We show how to evaluate mobility profiles, characterizing the transport of confined fluids under a perturbation, from equilibrium molecular simulations. The correlation functions derived with the Green-Kubo formalism are difficult to sample…
Many dynamic pipe flow simulator tools are capable of predicting the onset of hydrodynamic flow instability through detailed simulation. These instabilities provide a natural mechanism for flow regime transition. The quality and reliability…
We consider a class of conditional forward-backward diffusion models for conditional generative modeling, that is, generating new data given a covariate (or control variable). To formally study the theoretical properties of these…
Convection-diffusion equations arise in a variety of applications such as particle transport, electromagnetics, and magnetohydrodynamics. Simulation of the convection-dominated regime for these problems, even with high-fidelity techniques,…
We report on a comprehensive theory-simulation-experimental study of collective and self-diffusion in suspensions of charge-stabilized colloidal spheres. In simulation and theory, the spheres interact by a hard-core plus screened Coulomb…
The theory of transport phenomena in multicomponent electrolyte solutions is presented here through the integration of continuum mechanics, electromagnetism, and non-equilibrium thermodynamics. The governing equations of irreversible…
The effect of the applied trajectory length on the convergence of the static dielectric constant and the self-diffusion coefficient were examined for the SPC/E water model in the NVT ensemble with different system size at 293 K. Very long…
We examine the structural and dynamic properties of confined binary hard-sphere mixtures designed to mimic realizable colloidal thin films. Using computer simulations, governed by either Newtonian or overdamped Langevin dynamics, together…
Comparing hydrodynamic simulations to heavy-ion data inevitably requires the conversion of the fluid to particles. This conversion, typically done in the Cooper-Frye formalism, is ambiguous for viscous fluids. We compute self-consistent…
Typical multispecies compressible Navier-Stokes computations employ conservative equations for mass fraction transport. Upwind discretisations of these governing equations produce spurious pressure oscillations at diffuse contact surfaces…
In Clearing Up Mysteries -- The Original Goal (Maximum Entropy and Bayesian Methods: Cambridge, England, 1988 Springer, pp. 1-27) Jaynes derived Fick's Law for a dilute binary solution from Bayes' Theorem by considering, probabilistically,…
Over a century ago, Einstein formulated a precise mathematical model for describing Brownian motion. While this model adequately explains the diffusion of micron-sized particles in fluids, its limitations become apparent when applied to…
We outline a methodology for the simulation of particle-laden flows whereby the dispersed and fluid phases are two-way coupled. The drag force which couples fluid and particle momentum depends on the undisturbed fluid velocity at the…
A new lattice Boltzmann model for multicomponent ideal gas mixtures is presented. The model development consists of two parts. First, a new kinetic model for Stefan- Maxwell diffusion amongst the species is proposed and realized as a…