Kinetics of Two-Dimensional Diffusion-Controlled Reactions:  A Monte Carlo Simulation of Hard-Disk Reactants Undergoing a Pearson-Type Random Walk

2000 ◽  
Vol 104 (20) ◽  
pp. 4986-4991 ◽  
Author(s):  
Jorge Martins ◽  
K. Razi Naqvi ◽  
Eurico Melo
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Random Walk ◽  
Hard Disk ◽  
Two Dimensional ◽  
Dimensional Diffusion ◽  
Diffusion Controlled ◽  
Pearson Type ◽  
Kinetics Of

scholarly journals Two dimensional diffusion-controlled triplet–triplet annihilation kinetics

2019 ◽  
Vol 10 (32) ◽  
pp. 7633-7640 ◽  
Author(s):  
Grégoire C. Gschwend ◽  
Morgan Kazmierczak ◽  
Astrid J. Olaya ◽  
Pierre-François Brevet ◽  
Hubert H. Girault
Keyword(s):  
Harmonic Generation ◽  
Second Harmonic ◽  
Molecular Crowding ◽  
Two Dimensional ◽  
Time Resolved ◽  
Dimensional Diffusion ◽  
Diffusion Controlled ◽  
Kinetics Of ◽  
Annihilation Reaction ◽  
Triplet Triplet Annihilation

We show with time-resolved second harmonic generation and molecular mechanics simulations that the kinetics of a two-dimensional triplet–triplet annihilation reaction at the liquid–liquid interface is affected by molecular crowding.

Vacancy-Mediated Diffusion and Diffusion-Controlled Processes in Ordered Binary Intermetallics by Kinetic Monte Carlo Simulations

2021 ◽  
Vol 29 ◽  
pp. 95-115
Author(s):  
Rafal Kozubski ◽  
Graeme E. Murch ◽  
Irina V. Belova
Keyword(s):  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Simulation Studies ◽  
Self Diffusion ◽  
Monte Carlo Techniques ◽  
Diffusion Controlled ◽  
Kinetic Monte Carlo Simulations ◽  
Kinetic Effects ◽  
Kinetics Of ◽  
And Diffusion

We review the results of our Monte Carlo simulation studies carried out within the past two decades in the area of atomic-migration-controlled phenomena in intermetallic compounds. The review aims at showing the high potential of Monte Carlo methods in modelling both the equilibrium states of the systems and the kinetics of the running processes. We focus on three particular problems: (i) the atomistic origin of the complexity of the ‘order-order’ relaxations in γ’-Ni3Al; (ii) surface-induced ordering phenomena in γ-FePt and (iii) ‘order—order’ kinetics and self-diffusion in the ‘triple-defect’ β-NiAl. The latter investigation demonstrated how diverse Monte Carlo techniques may be used to model the phenomena where equilibrium thermodynamics interplays and competes with kinetic effects.

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