Related papers: Diffusion Rates for Hydrogen on Pd(111) from Molec…
Detailed physisorption data from experiment for the H_2 molecule on low-index Cu surfaces challenge theory. Recently, density-functional theory (DFT) has been developed to account for nonlocal correlation effects, including van der Waals…
We derive diffusive macroscopic equations for the particle and energy density of a system whose time evolution is described by a kinetic equation for the one particle position and velocity function f(r,v,t) that consists of a part that…
Direct estimation of the hydrodynamic response of an offshore structure in a random spreading sea can lead to large computational costs. In this paper the actual spreading sea is replaced by an idealised diffuse wave field and the diffuse…
We investigate the process by which a water molecule diffuses on the surface of an Al(111) electrode under constant bias voltage by first-principles density functional theory. To understand the diffusion path of the water on the Al(111), we…
A generalized physics-based expression for the drag coefficient of spherical particles moving in a fluid is derived. The proposed correlation incorporates essential rarefied physics, low-speed hydrodynamics, and shock-wave physics to…
We analyse the latest H1 large rapidity gap data to obtain diffractive parton distributions, using a procedure based on perturbative QCD, and compare them with distributions obtained from the simplified Regge factorisation type of analysis.…
We present a (heuristic) theoretical derivation for the scaling of the diffusion coefficient $D_f$ for fluctuating ``pulled'' fronts. In agreement with earlier numerical simulations, we find that as $N\to\infty$, $D_f$ approaches zero as…
We perform the first simultaneous Bayesian inference of the temperature-dependent heavy-quark spatial diffusion coefficient $2\pi T\mathcal{D}_s$ and the scaled jet transport coefficient $\hat{q}/T^3$ in the quark-gluon plasma, utilizing…
Molecular hydrogen is a fascinating candidate for quantum fluid showing bosonic and fermionic superfluidity. We have studied diffusion dynamics of thin films of H$_2$, HD and D$_2$ adsorbed on a glass substrate by measurements of…
Molecular dynamics simulations are used to study the mechanism and kinetics of hydrated electron diffusion. The electron center of mass is found to exhibit Brownian-type behavior with a diffusion coefficient considerably greater than that…
The kinetics of hydrogen diffusion in C15 cubic and C14 hexagonal TiCr$_2$H$_x$ (0 < $x$ <= 4) Laves-phase hydrogen storage alloys is investigated with density functional theory (DFT) and machine learning interatomic potentials (MLIPs).…
In this paper we present kinetic properties such as migration and decomposition barriers of hydrogen defects in silicon calculated by Density Functional Theory (DFT) based methods. We study the following defects: H atoms (H) and ions (H+,…
This paper introduces the use of statistical distributions based on transport differential equations for clear distinction of transport modes within transient kinetic experiments. More specifically,novel techniques are developed for the…
An understanding of hydrogen diffusion on metal surfaces is important, not just for its role in heterogeneous catalysis and hydrogen fuel cell technology, but also because it provides model systems where tunneling can be studied under…
To estimate the diffusion constant $D$ of particles in a plasma, we develop a method that is based on the mean free path $\lambda$ for scatterings with momentum transfer $q >~ T$. Using this method, we estimate $\lambda$ and $D$ for squarks…
Diffusion coefficients are essential microphysics input for modeling white dwarf evolution, as they impact phase separation at crystallization and sedimentary heat sources. Present schemes for computing diffusion coefficients are accurate…
In this paper we investigate the dynamical properties of a spatially periodic reaction-diffusion system {whose reaction terms are of hybrid nature in the sense that they are partly competitive and partly cooperative depending on the value…
In this paper we discuss the results of some Molecular Dynamics simulations of a magnetized One Component Plasma, targeted to estimate the diffusion coefficient $D_{\perp}$ in the plane orthogonal to the magnetic field lines. We find that…
Diffusion of atomic and molecular hydrogen in the interstitial space between graphite sheets has been studied by molecular dynamics simulations. Interatomic interactions were modeled by a tight-binding potential fitted to density-functional…
Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces is analyzed basing on ab-initio surface potentials. As compared to the simple single adatom jumps that alternate between two states, dimers undergo more complex diffusion…