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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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