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Atomistic Modeling Of Ternary And Quaternary Ordered Intermetallic Alloys

Published online by Cambridge University Press:  21 March 2011

Guillermo Bozzolo ,
Joseph Khalil ,
Matthew Bartow  and
Ronald D. Noebe
Guillermo Bozzolo
Affiliation:
Ohio Aerospace Institute, 22800 Cedar Point Road, Cleveland, OH 44142.
Joseph Khalil
Affiliation:
National Aeronautics and Space Administration, Glenn Research Center, Cleveland, OH 44135.
Matthew Bartow
Affiliation:
National Aeronautics and Space Administration, Glenn Research Center, Cleveland, OH 44135.
Ronald D. Noebe
Affiliation:
National Aeronautics and Space Administration, Glenn Research Center, Cleveland, OH 44135.
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Abstract

The structure of ternary and quaternary NiAl-based ordered intermetallic alloys is studied using the BFS method for alloys. A simple calculational procedure, based on the determination of the energetics of local environments surrounding defect atoms is introduced and applied to the study of the defect structure and phase formation in NiAl-based systems. The procedure is illustrated with two different examples: 1) the phase structure of Ni-Al-Fe alloys, focusing on the concentration dependence of the site preference behavior of Fe in NiAl, and 2) the precipitation of a β′ phase in NiAl(Ti,Hf) alloys, focusing on the role of Hf in lowering the solubility limit of Ti in NiAl, thus enhancing the precipitation of a Heusler Ni2Al(Ti,Hf) phase.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 646 , 2000 , N6.2.1
Copyright
Copyright © Materials Research Society 2001

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References

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