Process of faceting in nanoparticles of FCC metals: Results of simulation by the molecular-dynamics method |
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Authors: | L. E. Kar’kina I. N. Kar’kin Yu. N. Gornostyrev |
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Affiliation: | 1.Institute of Metal Physics, Ural Division,Russian Academy of Sciences,Ekaterinburg,Russia |
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Abstract: | The process of formation of facets (faceting) in Ni, Al, and Au nanoparticles has been investigated by the molecular-dynamics method. It has been established that the surface of nanoparticles of fcc metals with attainment of a low-energy habit can be transformed via correlated displacements of atomic groups of the facet in the octahedral plane. It has been shown that such a process is similar to the surface diffusion of atomic n-mers with the activation energy depending on the facet size, and for particles with a diameter d < 3.0 nm the correlated displacement of atomic layers proves to be the dominant mechanism of faceting. |
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