Diffusion of point defects in crystalline silicon using the kinetic activation-relaxation technique method
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منابع مشابه
Kinetic activation-relaxation technique.
We present a detailed description of the kinetic activation-relaxation technique (k-ART), an off-lattice, self-learning kinetic Monte Carlo (KMC) algorithm with on-the-fly event search. Combining a topological classification for local environments and event generation with ART nouveau, an efficient unbiased sampling method for finding transition states, k-ART can be applied to complex materials...
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