Defect structures and ternary lattice site preference of the B2 phase in the Al–Ni–Ru system
✍ Scribed by Sara Prins; Raymundo Arroyave; Zi-Kui Liu
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 324 KB
- Volume
- 55
- Category
- Article
- ISSN
- 1359-6454
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✦ Synopsis
The energies for stoichiometric and defected binary and ternary B2 phases in the Al-Ni-Ru ternary system were calculated from firstprinciples. 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.
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AbstractÐA symmetric two-sublattice model (Ni, Ti, Va) 0.5 (Ni, Ti, Va) 0.5 is applied to describe the intermediate B2 compound in order to cope with the order±disorder transition in the Ti±Ni system. Using this model, the ordered B2 and the disordered Ti-rich b.c.c. are described by a single Gibbs