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Type: Artigo de periódico
Title: A model for relaxation in intermetallic compounds
Author: Ferreira, LG
Boselli, MA
Abstract: We use the density functional inspired model for alloying and lattice vibrations to study the relaxation of the intermetallic binary systems Ni-Al and Cu-Au. In one case the data set is made up of first-principles results por the intermetallics in their cubic form. In the other case the data set is mostly experimental. The parametrization is performed in the direct space and it resembles a parametrization for an Ising Hamiltonian, though with distance dependent pair interactions. In both cases three-body and many-body interactions were not needed, and the pair interactions did not go beyond the second-neighbour shell.
Country: Inglaterra
Editor: Iop Publishing Ltd
Citation: Journal Of Physics-condensed Matter. Iop Publishing Ltd, v. 9, n. 23, n. 4801, n. 4812, 1997.
Rights: fechado
Identifier DOI: 10.1088/0953-8984/9/23/004
Date Issue: 1997
Appears in Collections:Unicamp - Artigos e Outros Documentos

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