A first-principles study of the site preference of Cr in B2 NiAl

First-principles calculations were performed to study the site preference of Cr in B2 NiAl. The Wagner–Schottky model was adopted to predict the finite temperature site occupancy behavior of Cr in B2 NiAl. Our calculations show that the site preference of Cr in B2 NiAl varies strongly with both allo...

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Bibliographic Details
Published inScripta materialia Vol. 54; no. 3; pp. 405 - 410
Main Authors Jiang, C., Sordelet, D.J., Gleeson, B.
Format Journal Article
LanguageEnglish
Published New York, NY Elsevier Ltd 01.02.2006
Elsevier Science
Subjects
Applied sciences
Exact sciences and technology
Metals. Metallurgy
Nickel aluminides
Point defects
Site preference
Point defects
Site preference
Nickel aluminides
Nickel base alloys
Intermetallic compound
Point defect
Nickel Aluminides
Aluminium alloy
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Summary:First-principles calculations were performed to study the site preference of Cr in B2 NiAl. The Wagner–Schottky model was adopted to predict the finite temperature site occupancy behavior of Cr in B2 NiAl. Our calculations show that the site preference of Cr in B2 NiAl varies strongly with both alloy composition and temperature.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:1359-6462
1872-8456
DOI:10.1016/j.scriptamat.2005.10.023