Interplay of order-disorder phenomena and diffusion in rigid binary alloys in the presence of vacancies: Monte Carlo simulations

2006 ◽  
Vol 73 (13) ◽  
Author(s):  
A. De Virgiliis ◽  
Kurt Binder
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Binary Alloys ◽  
And Diffusion

Modelisation of Precipitation in Concentrated Alloys

2011 ◽  
Vol 172-174 ◽  
pp. 303-308 ◽  
Author(s):  
Joel Lépinoux ◽  
Christophe Sigli
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Kinetic Monte Carlo ◽  
Binary Alloys ◽  
Multi Scale ◽  
Kinetic Monte Carlo Simulations

The modelling of precipitation is fairly trivial in very dilute binary alloys but remains a challenge in concentrated alloys. By comparing Kinetic Monte Carlo simulations and Cluster Dynamics calculations the difficulties are identified and solutions to link these two techniques are proposed to build an efficient multi-scale procedure.

Quantitative Analysis of the Evolution of Surface Growth Morphology in LEEM

1998 ◽  
Vol 05 (06) ◽  
pp. 1151-1158 ◽  
Author(s):  
J. B. Hannon ◽  
G. L. Kellogg ◽  
M. C. Bartelt ◽  
N. C. Bartelt
Keyword(s):  
Electron Microscopy ◽  
Monte Carlo ◽  
Quantitative Analysis ◽  
Diffusion Equation ◽  
Monte Carlo Simulations ◽  
Low Energy ◽  
Growth Morphology ◽  
Equation Analysis ◽  
Low Energy Electron ◽  
And Diffusion

We describe Monte Carlo simulations and diffusion equation analysis which are useful in deriving kinetic parameters from low energy electron microscopy experiments. An analysis of the etching of the Si(001) surface with molecular oxygen is made, illustrating the power of these techniques.

OSCILLATIONS IN CATALYTIC REACTIONS: CARBON MODEL WITH ADSORBATE–ADSORBATE LATERAL INTERACTIONS

2001 ◽  
Vol 08 (01n02) ◽  
pp. 51-59 ◽  
Author(s):  
V. P. ZHDANOV
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Co Oxidation ◽  
Carbon Deposition ◽  
Catalyst Surface ◽  
Catalytic Reactions ◽  
Lateral Interactions ◽  
Carbon Removal ◽  
Kinetic Oscillations ◽  
And Diffusion

We present Monte Carlo simulations of kinetic oscillations in CO oxidation on Pt in the framework of the model including carbon deposition on and removal from the catalyst surface. Some of the elementary reaction steps (such as carbon removal and diffusion) are considered to be dependent on adsorbate–adsorbate lateral interactions. The results obtained indicate that the lateral interactions may play a key role in kinetic oscillations. In particular, the interactions may result in the appearance of oscillations and also in their suppression. The former takes place if the interactions form a feedback between the high and low reactive states of the bistable catalytic cycle. The latter may be connected, for example, with the formation of carbon islands on the surface.

Thermodynamic properties of binary alloys from Monte Carlo simulations

1990 ◽  
Vol 62 (2) ◽  
pp. 173-191 ◽  
Author(s):  
S. H. Lim ◽  
M. Hasebe ◽  
G. E. Murch ◽  
W. A. Oates
Keyword(s):  
Monte Carlo ◽  
Thermodynamic Properties ◽  
Monte Carlo Simulations ◽  
Binary Alloys
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