Study of blocking effect for diffusion in disordered lattice

We present the result of Monte-Carlo simulation for diffusion in disordered lattices with two-level distribution of site and transition (saddle point) energies. The simulation has been conducted for both single- and many-particle cases. For single-particle case the simulation result is consistent with previous work. The blocking effect is analyzed through the correlation factor, averaged time between two consecutive jumps and diffusion coefficient. In many-particle case it was found τ- and F-effects which affect in opposite direction the diffusivity. In particular, the diffusion shows a normal behavior for transition disordered lattice where the τ-effect is always weaker than F-effect. For the site and combining disordered lattices the slight coverage dependence of diffusion coefficient and anomalous behavior also occur depending on the temperature and distribution of site and transition energies.

► We simulate the diffusion in disordered lattices for single- and many-particle cases. ► We examine the change in diffusion quantities with increasing the coverage. ► F- and τ-effect differently affect on the diffusion. ► for transition disordered lattice the diffusion coefficient decreases with coverage. ► for another type of lattice there is also anomalous diffusion behavior.