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|Type:||Artigo de periódico|
|Title:||A model for relaxation in intermetallic compounds|
|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.|
|Editor:||Iop Publishing Ltd|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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