Data di Pubblicazione:
2013
Citazione:
γ-Brass Polyhedral Core in Intermetallics: The Nanocluster Model / A.A. Pankova, V.A. Blatov, G.D. Ilyushin, D.M. Proserpio. - In: INORGANIC CHEMISTRY. - ISSN 0020-1669. - 52:22(2013 Oct 18), pp. 13094-13107.
Abstract:
Using the TOPOS program package, 26-atom nanoclusters of the γ-brass (Cu5Zn8) type (0@4@22 or 0@8@18) were found in 5918 crystal structures of cubic intermetallics. The nanocluster models were built for all the intermetallics using a recently developed algorithm implemented into TOPOS. The relations of the structures based on the 0@4@22 core are explored as a result of migration of atoms between different shells of the nanoclusters. It is shown that the 0@4@22 nanoclusters frequently occur as building units of intermetallics of different composition and structure type. Regularities in chemical composition of 702 γ-brass-type nanoclusters were found within both the nanoclusters approach (multishell structure) and the nested-polyhedra model. A database containing all topological types of γ-brass nanoclusters is created with which one can search for the corresponding atomic configuration in any intermetallics.
Tipologia IRIS:
01 - Articolo su periodico
Elenco autori:
A.A. Pankova, V.A. Blatov, G.D. Ilyushin, D.M. Proserpio
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