Monte Carlo simulations of surface diffusion at high coverages

1992 ◽  
Vol 96 (9) ◽  
pp. 7144-7154 ◽  
Author(s):  
D. Rostkier‐Edelstein ◽  
S. Efrima
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Surface Diffusion

Chemical surface diffusion analysis by the time evolution of density profiles. The Monte Carlo simulations

Vacuum ◽  
2001 ◽  
Vol 63 (1-2) ◽  
pp. 127-133 ◽  
Author(s):  
M.A Załuska-Kotur ◽  
A Łusakowski ◽  
S Krukowski ◽  
Z Romanowski ◽  
Ł.A Turski
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Surface Diffusion ◽  
Time Evolution ◽  
Density Profiles ◽  
Chemical Surface ◽  
Diffusion Analysis

ADSORPTION-INDUCED SURFACE RECONSTRUCTION PROCESSES: THE INFLUENCE ON THE ADSORPTION–DESORPTION KINETICS AND THE MOBILITY OF ADSORBED ATOMS

1999 ◽  
Vol 06 (03n04) ◽  
pp. 323-340 ◽  
Author(s):  
F. NIETO ◽  
A. A. TARASENKO ◽  
V. PEREYRA ◽  
C. UEBING
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Surface Diffusion ◽  
Surface Reconstruction ◽  
Diffusion Coefficients ◽  
Lattice Gas ◽  
Kinetic Monte Carlo ◽  
Desorption Kinetics ◽  
Disorder Phase Transition ◽  
Adsorption Desorption

In this paper we study the influence of adsorption-induced surface reconstruction on both the adsorption–desorption kinetics and the surface diffusion of adsorbed particles. The reconstruction is regarded as an order–disorder phase transition, which is described in the framework of the lattice gas formalism by the two-position (2P) model. Adsorption is studied by kinetic Monte Carlo simulations while surface diffusion coefficients are evaluated by using the classical Monte Carlo modeling. Utilizing Monte Carlo simulations we characterize how the behavior of the chemical (D), the jump (DJ) and the tracer (D*) diffusion coefficients depend on the different ordered phases predicted by the model.

Role of surface diffusion in the ordering of adsorbed molecules: dynamic Monte Carlo simulations of NO on Rh(111)

1999 ◽  
Vol 302 (1-2) ◽  
pp. 98-102 ◽  
Author(s):  
R.M van Hardeveld ◽  
M.J.P Hopstaken ◽  
J.J Lukkien ◽  
P.A.J Hilbers ◽  
A.P.J Jansen ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Surface Diffusion ◽  
Adsorbed Molecules ◽  
Dynamic Monte Carlo
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