STATISTICAL MODEL OF RELAXATION OF OFF-LATTICE SUPPORTED NANOPARTICLES: THE LINEAR TIME COMPLEXITY
A new method for constructing stochastic models of off-lattice physical and chemical processes occurring at the active metal supported nanoparticles deposited on an inert carrier. The proposed algorithm has linear time complexity. The created on this base program permits the use, in general, anisotropic interatomic interaction potential. For changes in the potentials of interatomic interaction program does not require recompilation. The equilibrium shape of the Lennard-Jones nanoparticles was obtained. It is shown that there is a dependency of the equilibrium shape of the nanoparticles on the interaction parameters of the substrate and metal atoms.
Keywords: relaxation of the nanoparticle, off-lattice model, Monte Carlo, linear time complexity
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Issue: 7, 2012
Pages: 19 — 25
Downloads: 927