Traditional mean-field rate equations of chemical kinetics for spatially uniform systems (1-3)
and the corresponding reaction–diffusion equations describing spatial heterogeneity (4-6) …

The proton mobility in perovskite sulfides is investigated. Both stable as well as unstable
compounds are considered to cover a wide range of ABS3 compounds, the latter were …

Using machine learning with a variational formula for diffusivity, we recast diffusion as a sum
of individual contributions to diffusion—called “kinosons”—and compute their statistical …

A variation principle for mass transport in solids is derived that recasts transport coefficients
as minima of local thermodynamic average quantities. The result is independent of diffusion …

We consider diffusion of particles on a lattice in the so-called dynamical mean-field regime
(memory effects are neglected). Interactions are local, that is, only among particles at the …

Diffusion of Cu adatoms and dimers on Cu (111) and Ag (111) surfaces is analyzed based
on ab initio surface potentials. Single adatom diffusion is compared with dimer diffusion on …

A realization of the numerous phases predicted in systems with long-range repulsive
interactions was recently found in Pb/Si (111). Surprisingly, these numerous phases can be …

A systematic approach on collective diffusion in an interacting lattice gas adsorbed on a non-
homogeneous substrate is formulated. It is based on a variational Ritz procedure of …

Collective diffusion is investigated within the kinetic lattice gas model for systems of particles
in one dimension with repulsive long-range interactions which are known to result in a …

A recently developed approach to microscopic kinetics of an interacting lattice gas is applied
to derive an algebraic expression for the coverage dependence of the collective diffusion …