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Magnetism-driven dislocation dissociation, cross slip, and mobility in NiAl

Magnetism-driven dislocation dissociation, cross slip, and mobility in NiAl We have examined the interplay between magnetism and dislocation core properties in NiAl alloys using quantum mechanics/molecular mechanics simulations. We observe the magnetism-driven site preference of Fe and Co impurities at the dislocation core. When occupying the Ni sublattice, Fe and Co impurities are found to induce spontaneous dislocation cross slip. When occupying the Al sublattice, the impurities render the originally undissociated dislocation to split into two partials. Finally we observe the magnetism-driven dislocation mobility when Fe impurity occupies the Al sublattice, which has also been discovered experimentally. The magnetic interaction between the impurities and the host atoms is responsible for the significant changes in the dislocation core structure and mobility. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Magnetism-driven dislocation dissociation, cross slip, and mobility in NiAl

Physical Review B , Volume 82 (6) – Aug 1, 2010
4 pages

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References (1)

Publisher
American Physical Society (APS)
Copyright
Copyright © 2010 The American Physical Society
ISSN
1550-235X
DOI
10.1103/PhysRevB.82.060404
Publisher site
See Article on Publisher Site

Abstract

We have examined the interplay between magnetism and dislocation core properties in NiAl alloys using quantum mechanics/molecular mechanics simulations. We observe the magnetism-driven site preference of Fe and Co impurities at the dislocation core. When occupying the Ni sublattice, Fe and Co impurities are found to induce spontaneous dislocation cross slip. When occupying the Al sublattice, the impurities render the originally undissociated dislocation to split into two partials. Finally we observe the magnetism-driven dislocation mobility when Fe impurity occupies the Al sublattice, which has also been discovered experimentally. The magnetic interaction between the impurities and the host atoms is responsible for the significant changes in the dislocation core structure and mobility.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Aug 1, 2010

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