Defect structures and ternary lattice site preference of the B2 phase in the Al-Ni-Ru system

Sara Prins, Raymundo Arroyave, Zi Kui Liu

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14 Scopus citations

Abstract

The energies for stoichiometric and defected binary and ternary B2 phases in the Al-Ni-Ru ternary system were calculated from first-principles. The dominant compositions-conserving constitutional defect structures for NiAl and RuAl have been determined as (Al, Ni)(Ni, Va) and (Ru, Al, Va)(Al), respectively. It was observed that Ru prefers the Ni-sublattice in NiAl, while Ni has a very strong preference for the Ru-sublattice in RuAl. Furthermore, the results indicate that a miscibility gap is likely to be stable at low temperatures in the NiAl-RuAl pseudobinary system.

Original languageEnglish (US)
Pages (from-to)4781-4787
Number of pages7
JournalActa Materialia
Volume55
Issue number14
DOIs
StatePublished - Aug 1 2007

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Polymers and Plastics
  • Metals and Alloys

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