Influence of Blocking Effect and Energetic Disorder on Diffusion in One-dimensional Lattice

Abstract

The diffusion in one-dimensional disordered lattice with
Gaussian distribution of site and transition energies has been studied by mean of kinetic Monte-Carlo simulation. We focus on investigating the influence of energetic disorders and diffusive particle density on diffusivity. In single-particle case, we used both analytical method and kinetic Monte-Carlo simulation to calculate the quantities that relate to diffusive behavior in disordered systems such as the mean time between two
consecutive jumps, correlation factor and diffusion coefficient. The
calculation shows a good agreement between analytical and simulation results for all disordered lattice types. In many-particle case, the blocking effect results in decreasing correlation factor F and average time \(\tau _{jump}\) between two consecutive jumps. With increasing the number of particles,
the diffusion coefficient \(D_{M}\) decreases for site-energy and
transition-energy disordered lattices due to the F-effect affects stronger than \(\tau\)-effect. Furthermore, the blocking effect almost is  temperature independent for both lattices.