Markov-chain model of classified atomistic transition states for discrete kinetic Monte Carlo simulations

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 84, Issue 4, 2011, Pages

  Numazawa, Satoshi ^a   Smith, Roger ^a,b  

^a INSTITUTE OF ION BEAM PHYSICS AND MATERIALS RESEARCH   (Germany)

^b LOUGHBOROUGH UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AG CLUSTERS; ATOMISTIC SIMULATIONS; CANONICAL ENSEMBLE; CLASSIFICATION SCHEME; CLUSTER GROWTH; DIFFUSION PROCESS; DISCRETE LATTICES; HIERARCHICAL TRANSITION; KINETIC MONTE CARLO; KINETIC MONTE CARLO SIMULATION; LOCAL TIME; LOCAL TRANSITIONS; MARKOV CHAIN; MARKOV-CHAIN MODELS; MODEL RESULTS; STABLE STATE; SYSTEM EVOLUTION; THERMAL FLUCTUATIONS; THERMALLY ACTIVATED; THREE-DIMENSIONAL LATTICES; TRANSITION LEVEL; TRANSITION STATE; TRANSITION STATE THEORIES; TRANSITION TIME;

BOOLEAN FUNCTIONS; EQUIVALENCE CLASSES; MARKOV PROCESSES; MONTE CARLO METHODS;

COMPUTER SIMULATION;

EID: 81555196459     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.84.046714     Document Type: Article

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