相关论文: Quantum diffusion at high interstitial concentrati…

We study the problem of homogenization for inertial particles moving in a time dependent random velocity field and subject to molecular diffusion. We show that, under appropriate assumptions on the velocity field, the large--scale,…

In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…

The rate of diffusion of a Cu adatom on the Cu(100) surface is calculated using thermodynamic integration within the transition state theory. The results are found to be in excellent agreement with the essentially exact values from…

In these proceedings, we compute the heavy quark momentum diffusion coefficient using QCD effective kinetic theory for a plasma going through the bottom-up thermalization scenario until approximate hydrodynamization. This transport…

Six-dimensional quantum dynamical calculations of the scattering of H_2 from a Pd(100) surface using a potential energy surface derived from density-functional theory calculations are presented. Due to the corrugation and anisotropy of the…

We investigate non-equilibrium fluctuations of a solid surface governed by the stochastic Mullins-Herring equation with conserved noise. This equation describes surface diffusion of adatoms accompanied by their exchange between the surface…

Surface chemistry on interstellar dust grains is recognized as a central component in astrochemical models, representing a plausible formation route for many of the observed complex molecular species. However, key parameters governing…

We present results on tagged particle diffusion in a meso-scale lattice model for sheared amorphous material in athermal quasi-static conditions. We find a short time diffusive regime and a long time diffusive regime whose diffusion…

In this paper we numerically investigate the influence of dissipation during particle collisions in an homogeneous turbulent velocity field by coupling a discrete element method to a Lattice-Boltzmann simulation with spectral forcing. We…

A system of interacting Brownian particles subject to short-range repulsive potentials is considered. A continuum description in the form of a nonlinear diffusion equation is derived systematically in the dilute limit using the method of…

This paper investigates quantum diffusion of matter waves in two-dimensional random potentials, focussing on expanding Bose-Einstein condensates in spatially correlated optical speckle potentials. Special care is taken to describe the…

The particle diffusion in a fluid is a classical topic that dates back to more than one century ago. However, a full solution to this issue still lacks. In this work the velocity autocorrelation function and the diffusion constant are…

Phase I of hydrogen has several peculiarities. Despite having a close-packed crystal structure, it is less dense than either the low temperature Phase II or the liquid phase. At high pressure, it transforms into either phase III or IV,…

We study the dynamics of the quantum phase distribution associated with the reduced density matrix of a system for a number of situations of practical importance, as the system evolves under the influence of its environment, interacting via…

Restrictions to diffusion result in the dispersion of the bulk diffusion coefficient. We derive the exact universal high-frequency behavior of the diffusion coefficient in terms of the surface-to-volume ratio of the restrictions. This…

The influence of turbulent mixing on the chemistry of the interstellar medium has so far received little attention. Previous studies of this effect have suggested that it might play an important role in mixing the various phases of the…

We present a numerical study of classical particles diffusing on a solid surface. The particles' motion is modeled by an underdamped Langevin equation with ordinary thermal noise. The particle-surface interaction is described by a periodic…

The study of diffusion and low frequency vibrational motions of particles on metal surfaces is of paramount importance; it provides valuable information on the nature of the adsorbate-substrate and the substrate-substrate interactions. In…

The quantum diffusion of a particle in an initially localized state on a cyclic lattice with N sites is studied. Diffusion and reconstruction time are calculated. Strong differences are found for even or odd number of sites and the limit…

The theoretical analysis of the process of diffusion of interstitial oxygen atoms and hydrogen molecules in silicon and germanium crystals has been performed. The calculated values of the activation energy and pre-exponential factor for an…