Related papers: Diffusion Rates for Hydrogen on Pd(111) from Molec…
We scrutinize the anomalies in diffusion observed in an extended long-range system of classical rotors, the HMF model. Under suitable preparation, the system falls into long-lived quasi-stationary states presenting super-diffusion of rotor…
In this work we present a numerical study, based on molecular dynamics simulations, to estimate the freezing point of hard spheres and hypersphere systems in dimension D = 4, 5, 6 and 7. We have studied the changes of the Radial…
A new combination of first principle molecular dynamics (MD) simulations with a rate equation model presented in the preceding paper (paper I) is applied to analyze in detail the scattering of argon atoms from a platinum (111) surface. The…
Hydrogen diffusion in metals and alloys plays an important role in the discovery of new materials for fuel cell and energy storage technology. While analytic models use hand-selected features that have clear physical ties to hydrogen…
Turbulence and magnetic fields are components of the interstellar medium and are interconnected through plasma processes. In particular, the magnetic flux transport in the presence of magneto-hydrodynamic (MHD) turbulence is an essential…
Employing the stochastic mean-field (SMF) approach, we develop a quantal diffusion description of the multi-nucleon transfer in heavy-ion collisions at finite impact parameters. The quantal transport coefficients are determined by the…
We report the first six-dimensional quantum dynamical calculations of dissociative adsorption and associative desorption. Using a potential energy surface obtained by density functional theory calculations, we show that the initial decrease…
Atomic diffusion is usually understood as a succession of random, independent displacements of an adatom over the surface's potential energy landscape. Nevertheless, an analysis of Molecular Dynamics simulations of self-diffusion on Cu(111)…
A method for first principles predictions of observed temperature-dependent NQR spectra is presented using density functional theory (DFT) and the isobaric T-dependent NQR frequencies of 35Cl and 14N nuclei are computed for the two…
The dispersion equation of MGD plasma waves measured in a reference frame with a relative speed from that where they are generated is derived. The analysis leads further from what is known for waves produced in stationary plasmas in the…
We study the dynamics of an athermal inertial run-and-tumble particle moving in a shear-thickening medium in $d=1$. The viscosity of the medium is represented by a nonlinear function $f(v)\sim\tan(v)$, while a symmetric dichotomous noise of…
Using dynamical density functional theory (DDFT), we theoretically study Brownian self-diffusion and structural relaxation of hard disks and compare to experimental results on quasi two-dimensional colloidal hard spheres. To this end, we…
There is no agreement in the literature on the rate of diffusion of a particle in a cooling granular gas. Predictions and model assumptions range from the conventional to very exotic dependence of the mean square distance (MSD) on time.…
The dynamic structure factor (DSF) is a mathematical function that contains information about inter-particle correlations and their time evolution. Mostly the classical molecular dynamics is used to calculate the DSF of the classical…
Time evolution of the position-velocity correlation functions (PVCF) plays a key role in a new formalism of Brownian motion. A system of differential equations, which governs PVCF, is derived for magnetic Skyrmions on a 2-dimensional…
The hydrodynamic phase field model is applied to the problem of film spreading on a solid surface. The disjoining potential, responsible for modification of the fluid properties near a three-phase contact line, is computed from the…
We have calculated the rate coefficients for D(1s) + H^+ <--> D^+ + H(1s) using recently published theoretical cross sections. We present results for temperatures T from 1 K to 2x10^5 K and provide fits to our data for use in plasma…
We describe diffractive deeply inelastic scattering in terms of diffractive parton distributions. We investigate these distributions in a hamiltonian formulation that emphasizes the spacetime picture of diffraction scattering. For hadronic…
Diffusing-Wave Spectroscopy (DWS) treats the transport of photons through turbid samples as a diffusion process, thereby making it possible to extract the dynamics of scatterers from measured correlation functions. The analysis of DWS data…
We propose an alternative method for one-dimensional continuum diffusion models with spatially variable (heterogeneous) diffusivity. Our method, which extends recent work on stochastic diffusion, assumes the constant-coefficient homogenized…