Site preference and effect of alloying on elastic properties of ternary B2 NiAl-based alloys
2012 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 85, no 14, 144117- p.Article in journal (Refereed) Published
Using the exact muffin-tin orbitals method in conjunction with the coherent potential approximation, we study the site preference of transition metal impurities X (X = Sc, Ti, V, Cr, W, Re, Co) in B2 NiAl and their effect on its elastic properties. Analyzing interatomic bonding of NiAl-X alloys and elastic characteristics evaluated from the elastic constants C-11, C-12, and C-44, we predict that the addition of W, V, Ti, and Re atoms could yield improved ductility for B2 NiAl-X alloys without significant changes in the macroscopic elastic moduli.
Place, publisher, year, edition, pages
American Physical Society , 2012. Vol. 85, no 14, 144117- p.
Engineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-77535DOI: 10.1103/PhysRevB.85.144117ISI: 000303192800004OAI: oai:DiVA.org:liu-77535DiVA: diva2:528599
Funding Agencies|Russian Foundation for Basic Research|10-02-00-194a|Swedish Research Council|621-2011-4426|Swedish Foundation for Strategic Research|SRL 10-0026|Ministry of Education and Science of the Russian Federation||2012-05-282012-05-222012-06-25