Ab-initio calculations for the structural properties of Zr-Nb alloys

Ab-initio calculations for the structural properties of Zr-Nb alloys at different values of the niobium concentration are done at zero temperature. Different cases for Zr-Nb alloys with unit cells having BCC and HCP structures are considered. Optimal values of the lattice constants are obtained. Cri...

ver descrição completa

Detalhes bibliográficos
Principais autores: V.O. Kharchenko, D.O. Kharchenko
Formato: Artigo
Idioma:English
Publicado em: Institute for Condensed Matter Physics 2013-03-01
coleção:Condensed Matter Physics
Assuntos:
Acesso em linha:http://dx.doi.org/10.5488/CMP.16.13801