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Energetics and Configurations of Lattice Defects in CuTi

Published online by Cambridge University Press:  16 February 2011

James R. Shoemaker ,
David Wesley ,
William R. Wharton ,
Michael L. Oehrli ,
Michael J. Sabochick  and
Nghi Q. Lam
James R. Shoemaker
Affiliation:
Air Force Institute of Technology, Department of Engineering Physics, Wright-Patterson Air Force Base, OH 45433-6583
David Wesley
Affiliation:
Air Force Institute of Technology, Department of Engineering Physics, Wright-Patterson Air Force Base, OH 45433-6583
William R. Wharton
Affiliation:
Air Force Institute of Technology, Department of Engineering Physics, Wright-Patterson Air Force Base, OH 45433-6583
Michael L. Oehrli
Affiliation:
Air Force Institute of Technology, Department of Engineering Physics, Wright-Patterson Air Force Base, OH 45433-6583
Michael J. Sabochick
Affiliation:
Air Force Institute of Technology, Department of Engineering Physics, Wright-Patterson Air Force Base, OH 45433-6583
Nghi Q. Lam
Affiliation:
Argonne National Laboratory, Materials Science Division, Argonne, IL 60439
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Abstract

The energies and configurations of interstitials and vacancies in the ordered compound CuTi were calculated using atomistic simulation. Vacancies created by the removal of either a Cu or Ti atom resulted in a vacant Cu site, with an antisite defect in the latter case. The vacancy at the Cu site was found to be very mobile within two adjacent (001) Cu planes, resulting in two dimensional migration. Interstitials created by inserting either a Cu or Ti atom had complicated configurations containing one or more antisite defects.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 193: Symposium Q – Atomic Scale Calculations of Structure in Materials , 1990 , 339
Copyright
Copyright © Materials Research Society 1990

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References

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