Related papers: Quantum diffusion at high interstitial concentrati…
We introduce and test via molecular simulation a simple model for predicting the manner in which interparticle interactions and thermodynamic conditions impact the single-particle free-volume distributions of equilibrium fluids. The model…
We consider a heavy quantum particle with an internal degree of freedom moving on the $d$-dimensional lattice $\bbZ^d$ (e.g., a heavy atom with finitely many excited states). The particle is coupled to a thermal medium (bath) consisting of…
We study the rotational and vibrational heating of diatomic molecules placed near a surface at finite temperature on the basis of macroscopic quantum electrodynamics. The internal molecular evolution is governed by transition rates that…
Quantal diffusion mechanism of nucleon exchange is studied in the central collisions of several symmetric heavy-ion collisions in the framework of the Stochastic Mean-Field (SMF) approach. Since at bombarding energies below the fusion…
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…
In surface diffusion, one of the key observables is the so-called intermediate scattering function which is measured directly from the surface technique called Helium spin echo. In this work, we show that this function can be seen as a…
Using the methods of computer modeling this scientific paper studies the special features of diffusion of the particles subjected to the external periodic force in the crystal lattice. The particle motion is described by a Langevin…
Diffusive transport of a particle in spatially correlated random energy landscape having exponential density of states has been considered. We exactly calculate the diffusivity in the nondispersive quasi-equilibrium transport regime and…
Evidence suggests that the transport rate of a passive particle at long timescales is enhanced due to interactions with the surrounding active ones in a size- and composition-dependent manner. Using a system of particles with different…
A quantum-mechanical formulation of energy transfer between closely spaced surfaces is given. Coupling between the two surfaces arises from the atomic dipole-dipole interaction involving transverse-photon exchange. The exchange of photons…
We compute the heavy quark momentum diffusion coefficient using effective kinetic theory for a system going through bottom-up isotropization until approximate hydrodynamization. We find that when comparing the nonthermal diffusion…
We study numerically quantum diffusion of a particle on small-world networks by integrating the time-dependent Schr\"odinger equation with a localized initial state. The participation ratio, which corresponds to the number of visited sites…
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…
We analyze the collective surface diffusion coefficient, $D_c$, near a first-order phase transition at which two phases coexist and the surface coverage, $\te$, drops from one single-phase value, $\te_+$, to the other one, $\te_-$. Contrary…
The role of incoherent tunneling in the diffusion of light atoms on surfaces is investigated. With this purpose, a Chudley-Elliot master equation constrained to nearest neighbors is considered within the Grabert-Weiss approach to quantum…
Convenient variational formula for collective diffusion of many particles adsorbed at lattices of arbitrary geometry is formulated. The approach allows to find the expressions for the diffusion coefficient for any value of the system's…
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)…
We study a lattice model for the spreading of fluid films, which are a few molecular layers thick, in narrow channels with inert lateral walls. We focus on systems connected to two particle reservoirs at different chemical potentials,…
We present a study of diffusion of small tagged particles in a solvent, using mode coupling theory (MCT) analysis and computer simulations. The study is carried out for various interaction potentials. For the first time, using MCT, it is…
We study the interaction of atomic and molecular hydrogen with a surface of tholin, a man-made polymer considered to be an analogue of aerosol particles present in Titan's atmosphere, using thermal programmed desorption at low temperatures…