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Monte Carlo Studies of Particle Diffusion on a Patchwise Bivariate Surface

Authors:
Alexander Tarasenko
Lubomir Jastrabik

Keywords: surface diffusion; kinetic Monte Carlo simulations; patchwise lattice.

Abstract:
The diffusion of particles adsorbed on a patchwise surface with two non equivalent sites is investigated in the framework of a lattice-gas model. We derived the analytical expressions for the diffusion coefficients. Using the kinetic Monte Carlo simulations we calculate the coverage dependencies of the diffusion coefficients in the wide region of the lateral interaction between the particles. The theoretical dependencies are compared with the numerical data. The good coincidence of the data obtained by the two different methods corroborates the validity of the approach developed for the description of the particle migration over such complex heterogeneous lattices.

Pages: 7 to 12

Copyright: Copyright (c) IARIA, 2013

Publication date: August 25, 2013

Published in: conference

ISSN: 2308-3530

ISBN: 978-1-61208-303-2

Location: Barcelona, Spain

Dates: from August 25, 2013 to August 31, 2013