Related papers: Estimation of a Gas Diffusion Coefficient by Fitti…
We propose a multi-hop diffusion strategy for a sensor network to perform distributed least mean-squares (LMS) estimation under local and network-wide energy constraints. At each iteration of the strategy, each node can combine intermediate…
There are several approaches to describe flows with particles e.g. Lattice-Gas Automata (LGA), Lattice-Boltzmann method (LBM) or smoothed particle hydrodynamics (SPH). These approaches do not use fixed grids on which the Navier-Stokes…
Recently, the intrinsic sampling method has been developed in order to obtain, from molecular simulations, the intrinsic structure of the liquid-vapor interface that is presupposed in the classical capillary wave theory. Our purpose here is…
We develop an explicit second order staggered finite difference discretization scheme for simulating the transport of highly heterogeneous gas mixtures through pipeline networks. This study is motivated by the proposed blending of hydrogen…
A numerical simulation infrastructure capable of calculating the flow of gas and the trajectories of particles through an aerodynamic lens injector is presented. The simulations increase the fundamental understanding and predict optimized…
In this work, the Z-average, effective, apparent diffusion coefficients and their poly-dispersity indexes were investigated for dilute poly-disperse homogeneous spherical particles in dispersion where the Rayleigh-Gans-Debye approximation…
The periodic Lorentz gas is a paradigmatic model to examine how macroscopic transport emerges from microscopic chaos. It consists of a triangular lattice of circular hard scatterers with a moving point particle. Recently this system became…
In this paper we study the diffusion approximation of a swarming model given by a system of interacting Langevin equations with nonlinear friction. The diffusion approximation requires the calculation of the drift and diffusion coefficients…
A new combined PIC-MCC approach is developed for accurate and fast simulation of a radio frequency discharge at low gas pressure and high density of plasma. Test calculations of transition between different modes of electron heating in a…
Comparative studies of capacitively coupled radio-frequency discharges in helium and argon at pressures between 10 and 80 Pa are presented applying two different fluid modelling approaches as well as two independently developed…
Collective diffusion coefficient in a two-dimensional lattice gas on a nonhomogeneous substrate is investigated using variational approach. Particles reside at adsorption sites with different well depths potentials and jump randomly between…
In one-dimensional (1D) quantum gases, the momentum distribution (MD) of the atoms is a standard experimental observable, routinely measured in various experimental setups. The MD is sensitive to correlations, and it is notoriously hard to…
We investigate finite-size effects on diffusion in confined fluids using molecular dynamics simulations and hydrodynamic calculations. Specifically, we consider a Lennard-Jones fluid in slit pores without slip at the interface and show that…
Diffusion approximation provides weak approximation for stochastic gradient descent algorithms in a finite time horizon. In this paper, we introduce new tools motivated by the backward error analysis of numerical stochastic differential…
Diffusive transport of mass occurs at small scales in turbulent premixed flames. As a result, multicomponent mass diffusion, which is often neglected in direct numerical simulations (DNS) of premixed combustion, has the potential to impact…
In this paper, we discuss dissipation process of the binary mixture gas in the thermally relativistic flow \textcolor{red}{by focusing on the characteristics of the diffusion flux}. As an analytical object, we consider the relativistic…
We present a public code to generate random fields with an arbitrary probability distribution function (PDF) and an arbitrary correlation function. The algorithm is cosmology-independent, applicable to any stationary stochastic process over…
Physics-guided sampling with diffusion model priors has shown promise for solving partial differential equation (PDE) governed problems, but applications to chemically meaningful reaction-transport systems remain limited. We apply…
Modeling nuclear quantum effects is required for accurate molecular dynamics (MD) simulations of molecules. The community has paid special attention to water and other biomolecules that show hydrogen bonding. Standard methods of modeling…
Molecular dynamics simulations are carried out to investigate the diffusion behavior of penetrable-sphere model fluids characterized by a finite energy barrier $\epsilon$. The self-diffusion coefficient is evaluated from the time-dependent…