Diffusion on a lattice: Transition rates, interactions, and memory effects

DI MURO, M.A.; HOYUELOS, M.

Physical Review E

American Physical Society

Año: 2022 vol. 106

2470-0045

We analyze diffusion of particles on a two-dimensional square lattice. Each lattice site contains an arbitrary number of particles. Interactions affect particles only in the same site, and are macroscopically represented by the excess chemical potential. In a recent work, a general expression for transition rates between neighboring cells as functions of the excess chemical potential was derived. With transition rates, the mean-field tracer diffusivity, DMF, is immediately obtained. The tracer diffusivity, D=DMFf, contains the correlation factor f, representing memory effects. An analysis of the joint probability of having given numbers of particles at different sites when a force is applied to a tagged particle allows an approximate expression for f to be derived. The expression is applied to soft core interaction (different values for the maximum number of particles in a site are considered) and extended hard core.