A First-Passage Kinetic Monte Carlo algorithm for complex diffusion-reaction systems

Journal of Computational Physics

Volumn 229, Issue 9, 2010, Pages 3214-3236

  Donev, Aleksandar ^a   Bulatov, Vasily V ^a   Oppelstrup, Tomas ^a,b   Gilmer, George H ^a   Sadigh, Babak ^a   Kalos, Malvin H ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

Asynchronous algorithms; Diffusion reaction; First passage; Kinetic Monte Carlo

Indexed keywords

CONTINUOUS TIME SYSTEMS; DEGRADATION; KINETICS; MICROSTRUCTURE; MONTE CARLO METHODS; NUCLEAR FUELS; NUCLEAR POWER PLANTS; PROBABILITY DISTRIBUTIONS; RADIATION DAMAGE;

ASYNCHRONOUS ALGORITHMS; ASYNCHRONOUS EVENT; COMPLEX DIFFUSIONS; CONTINUOUS-TIME SYSTEM; DIFFUSION-REACTION; DIFFUSION-REACTION SYSTEMS; EVENT-DRIVEN; FIRST-PASSAGE; KINETIC MONTE CARLO; MONTE CARLO ALGORITHMS;

IRRADIATION;

EID: 77949327931     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2009.12.038     Document Type: Article

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