The Activation-Relaxation Technique: ART Nouveau and Kinetic ART
2012; Hindawi Publishing Corporation; Volume: 2012; Linguagem: Inglês
10.1155/2012/925278
ISSN1687-9236
AutoresNormand Mousseau, Laurent Karim Béland, P.E. Brommer, J.P. Joly, Fedwa El‐Mellouhi, E. Machado, Mihai-Cosmin Marinica, Pascal Pochet,
Tópico(s)Thermal properties of materials
ResumoThe evolution of many systems is dominated by rare activated events that occur on timescale ranging from nanoseconds to the hour or more. For such systems, simulations must leave aside the full thermal description to focus specifically on mechanisms that generate a configurational change. We present here the activation relaxation technique (ART), an open-ended saddle point search algorithm, and a series of recent improvements to ART nouveau and kinetic ART, an ART-based on-the-fly off-lattice self-learning kinetic Monte Carlo method.
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