Off-Lattice Kinetic Monte Carlo Methods

2020 ◽  
pp. 715-743
Author(s):  
Mickaël Trochet ◽  
Normand Mousseau ◽  
Laurent Karim Béland ◽  
Graeme Henkelman
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Kinetic Monte Carlo

Off-Lattice Kinetic Monte Carlo Methods

2018 ◽  
pp. 1-29
Author(s):  
Mickaël Trochet ◽  
Normand Mousseau ◽  
Laurent Karim Béland ◽  
Graeme Henkelman
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Kinetic Monte Carlo

Nucleation and Growth of Defects in He irradiated Fe using Rate Theory and Kinetic Monte Carlo Methods

2005 ◽  
Vol 908 ◽  
Author(s):  
Christophe Juan Ortiz ◽  
Maria Jose Caturla ◽  
Chu Chun Fu ◽  
Francois Willaime
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Formation Energy ◽  
Kinetic Monte Carlo ◽  
Nucleation And Growth ◽  
Rate Theory ◽  
Migration Energy ◽  
Single Vacancy ◽  
Dissociative Mechanism

AbstractHe desorption in Fe was studied using rate theory and kinetic Monte Carlo models. A good fit to experimental observations was obtained with a migration energy of 1.1 eV and a formation energy of 1.6 eV for the single vacancy. These results could be explained by the presence of traps/impurities in experiments. Simulations show that the release of He during annealing is mainly due to the dissociative mechanism (Frank-Turnbull) and the release of Hei from He-V clusters.

Differences between fixed time step and kinetic Monte Carlo methods for biased diffusion

2009 ◽  
Vol 228 (16) ◽  
pp. 5740-5748 ◽  
Author(s):  
V. Ruiz Barlett ◽  
J.J. Bigeón ◽  
M. Hoyuelos ◽  
H.O. Mártin
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Kinetic Monte Carlo ◽  
Fixed Time ◽  
Time Step ◽  
Biased Diffusion
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