Two methods for the Monte Carlo analysis of chemical diffusion processes on solid surfaces were presented. The first method was based upon analysis of the decay of sinusoidal adsorbate density perturbations. The second one used the Boltzmann-Matano procedure applied to the step-like density profile. The usefulness of both these methods was shown on extraction of the chemical diffusion coefficient from the numerical results. The two methods were applied to various realizations of 2D lattice gas systems, simulating diffusion of adsorbate on surfaces of crystal having hexagonal symmetry of adsorption sites. In particular there was interest in the dependence of the diffusion process upon the strength and sign of the interactions of the jumping adatom at its activated state. Systems with the same equilibrium properties (same ordered and disordered phase structure) and different interaction-dependent barriers for attractive and repulsive forces were compared.

Chemical Surface Diffusion Analysis by the Time Evolution of Density Profiles. the Monte Carlo Simulations. M.A.Załuska-Kotur, A.Łusakowski, S.Krukowski, Z.Romanowski, L.A.Turski: Vacuum, 2001, 63[1-2], 127-33