Related papers: Diffusion Rates for Hydrogen on Pd(111) from Molec…
The temperature-dependent diffusion coefficients of interstitial helium atom in $\alpha$-Ti are predicted using the transition state theory. The microscopic parameters in the pre-factor and activation energy of the impurity diffusion…
Using accurate multi-component diffusion treatment in numerical combustion studies remains formidable due to the computational cost associated with solving for diffusion velocities. To obtain the diffusion velocities, for low density gases,…
A mechanism for dispersion to automatically arise from the dispersionless Whitham Modulation equations (WMEs) is presented, relying on the use of a moving frame. The speed of this is chosen to be one of the characteristics which emerge from…
We present a probabilistic approach to water-water hydrogen bonding that allows one to obtain an analytic expression for the number of bonds per water molecule as a function of both its distance to a hydrophobic particle and hydrophobe…
We present a new neutron-scattering approach to access the van Hove distribution function directly in the time domain, I(t), which reflects the system dynamics. Currently, I(t) is essentially determined from neutron energy-exchange. Our…
We report on measurements of self-diffusion coefficients in discrete numerical simulations of steady, homogeneous, collisional shearing flows of nearly identical, frictional, inelastic spheres. We focus on a range of relatively high solid…
Hydrogen segregation to vacancies in the surface and subsurface layers of (111) and (100) surfaces of Pd is studied in the density functional theory (DFT) approach. Adsorption energies and configurations of various clusters of H atoms at…
As an application of quantum fluid mechanics, we consider the drag force exerted on a sphere by an ultra-dilute gas. Quantum mechanical diffraction scattering theory enters in that regime wherein the mean free path of a molecule in the gas…
The viscosity and self-diffusion constant of particle-based mesoscale hydrodynamic methods, multi-particle collision dynamics (MPC) and dissipative particle dynamics (DPD), are investigated, both with and without angular-momentum…
We show that long-time, long-distance fluctuations of plane-symmetric horizons exhibit universal hydrodynamic behavior. By considering classical fluctuations around black-brane backgrounds, we find both diffusive and shear modes. The…
Normal dynamics in a quasi-one-dimensional channel of length L (\to\infty) of N hard spheres are analyzed. The spheres are heterogeneous: each has a diffusion coefficient D that is drawn from a probability density function (PDF), W…
We suggest the diffuse approach to the relaxation processes within the kinetic theory for the Wigner distribution function. The diffusion and drift coefficients are evaluated taking into consideration the interparticle collisions on the…
DNS and laboratory experiments show that the spatial distribution of straining stagnation points in homogeneous isotropic 3D turbulence has a fractal structure with dimension D_s = 2. In Kinematic Simulations the time exponent gamma in…
Reaction-diffusion waves in multiple spatial dimensions advance at a rate that strongly depends on the curvature of the wave fronts. These waves have important applications in many physical, ecological, and biological systems. In this work,…
In the paper, we propose a new effective mathematical formulation and resulting universal numerical algorithm capable of tackling various HF models in the framework of a unified approach. The presented numerical scheme is not limited to any…
Clathrate hydrates hold considerable promise as safe and economical materials for hydrogen storage. Here we present a quantum mechanical study of H$_2$ and D$_2$ diffusion through a hexagonal face shared by two large cages of clathrate…
We study the diffusion properties of the strongly interacting quark-gluon plasma (sQGP) and evaluate the diffusion coefficient matrix for the baryon ($B$), strange ($S$) and electric ($Q$) charges - $\kappa_{qq'}$ ($q,q' = B, S, Q$) and…
Molecular dynamics simulation is a prominent way of analyzing the dynamic properties of a system. The molecular dynamics simulation of diffusion, an important transport property, of dilute solution of cysteine in SPCE water at five…
It has been conjectured that transport in integrable one-dimensional (1D) systems is necessarily ballistic. The large diffusive response seen experimentally in nearly ideal realizations of the S=1/2 1D Heisenberg model is therefore puzzling…
We report the results of a density-functional study of the diffusion of Pt dimers on the (111) surface of Pt. The calculated activation energy of 0.37 eV is in {\em exact} agreement with the recent experiment of Kyuno {\em et al.}…