New Insights into the Mechanism and Kinetics of Adsorbed CO Electrooxidation on Platinum: Online Mass Spectrometry and Kinetic Monte Carlo Simulation Studies

2012 ◽  
Vol 116 (20) ◽  
pp. 11040-11053 ◽  
Author(s):  
Hongsen Wang ◽  
Zenonas Jusys ◽  
R. Jürgen Behm ◽  
Héctor D. Abruña
Keyword(s):  
Mass Spectrometry ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Simulation Studies ◽  
Kinetic Monte Carlo Simulation ◽  
Co Electrooxidation ◽  
Mechanism And Kinetics ◽  
Adsorbed Co ◽  
Kinetics Of

First-Principles and Kinetic Monte Carlo Simulation Studies of the Reactivity of Tc(0001), MoTc(111) and MoTc(110) Surfaces

2013 ◽  
Vol 161 (3) ◽  
pp. C83-C88 ◽  
Author(s):  
Eunja Kim ◽  
Philippe F. Weck ◽  
Christopher D. Taylor ◽  
Olayinka Olatunji-Ojo ◽  
Xiang-Yang Liu ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
First Principles ◽  
Kinetic Monte Carlo ◽  
Simulation Studies ◽  
Kinetic Monte Carlo Simulation

Kinetic Monte Carlo simulation of deposition of energetic copper atoms on a Cu(001) substrate

2005 ◽  
Vol 38 (23) ◽  
pp. 4202-4209 ◽  
Author(s):  
Zu-li Liu ◽  
Li Yu ◽  
Kai-lun Yao ◽  
Xing-bin Jing ◽  
Xing-ao Li ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Kinetic Monte Carlo Simulation

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.

Kinetic Monte Carlo simulation of ZrO 2 coating deposited by EB‐PVD

2021 ◽  
Author(s):  
Jin Gao ◽  
Yuhang Jing ◽  
Xiaodong He ◽  
Chunzhu Jiang ◽  
Guangping Song ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Kinetic Monte Carlo Simulation
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