Calculation of proper energy barriers for atomistic kinetic Monte Carlo simulations on rigid lattice with chemical and strain field long-range effects using artificial neural networks

Journal of Chemical Physics

Volumn 132, Issue 7, 2010, Pages

  Castin, N ^a,b   Malerba, L ^b  

^a UNIVERSITÉ LIBRE DE BRUXELLES   (Belgium)

^b BELGIAN NUCLEAR RESEARCH CENTRE   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

A-THERMAL; ARTIFICIAL NEURAL NETWORK; ATOMIC ENVIRONMENT; ATOMIC RELAXATION; CHEMICAL EFFECT; CR ALLOYS; ELASTIC STRAIN; INPUT VARIABLES; INTERATOMIC POTENTIAL; KINETIC MONTE CARLO; KINETIC MONTE CARLO SIMULATION; LONG RANGE EFFECTS; MIGRATION ENERGY; NUDGED ELASTIC BAND METHODS; STRAIN FIELDS; TRAINING ALGORITHMS; VACANCY MIGRATION; ZERO TEMPERATURES;

CHROMIUM; CHROMIUM ALLOYS; COMPUTER SIMULATION; MONTE CARLO METHODS; RADIATION DAMAGE; SIMULATED ANNEALING;

NEURAL NETWORKS;

EID: 77149135588     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3298990     Document Type: Article

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