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Ab initio study of point defects in off-stoichiometric NiAl
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
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1999 (English)In: METALLOFIZIKA I NOVEISHIE TEKHNOLOGII, ISSN 0204-3580, Vol. 21, no 11, 49-54 p.Article in journal (Refereed) Published
Abstract [en]

The formation energies of native point defects and the interaction energies of various defect pairs in NiAl are calculated from first principles within on order-hr, locally self-consistent Green's function method The constitutional defects (antisite Ni at

Place, publisher, year, edition, pages
NATL ACAD SCIENCES UKRAINE, INST METAL PHYSICS , 1999. Vol. 21, no 11, 49-54 p.
Keyword [en]
subfraction alloys; point defects; interaction between defects; MECHANICAL-PROPERTIES; PHASE; ALLOYS
Identifiers
URN: urn:nbn:se:uu:diva-37012OAI: oai:DiVA.org:uu-37012DiVA: diva2:64911
Note
Addresses: Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden. Moscow Steel & Alloys Inst, Dept Theoret Phys, Moscow 117936, Russia. Tech Univ Denmark, Ctr Atom Scale Mat Phys, DK-2800 Lyngby, Denmark.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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