Abstract

Two statistical lattice models of a 3D crystal are proposed, which allow us to take into account a change in the shape and in the surface morphology of a nanoparticle under the influence of the temperature. It has been shown that consecutive diffusion of atoms does not give reasonable simulation results, therefore the consideration of “mathematical” diffusion, where the atom is allowed to diffuse at any point of a lattice but not only in the nearest neighbor, or many atoms to diffuse simultaneously, has been included in the algorithm.

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krasilnikov.pdf982.98 KB

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63-69