Formation, migration, and clustering of delocalized vacancies and interstitials at a solid-state semicoherent interface
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Kolluri-2012-Formation, migration, and clustering of.pdf
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1.65 MB
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Author(s)
Kolluri, Kedarnath
Demkowicz, Michael J.
Date Issued
May 2012
Journal
Physical Review B
Publisher
American Physical Society
Citation
Kolluri, Kedarnath, and Michael Demkowicz. “Formation, Migration, and Clustering of Delocalized Vacancies and Interstitials at a Solid-state Semicoherent Interface.” Physical Review B 85.20 (2012). ©2012 American Physical Society
Version
Final published version
Abstract
Atomistic simulations are used to study the formation, migration, and clustering of delocalized vacancies and interstitials at a model fcc-bcc semicoherent interface formed by adjacent layers of Cu and Nb. These defects migrate between interfacial trapping sites through a multistep mechanism that may be described using dislocation mechanics. Similar mechanisms operate in the formation, migration, and dissociation of interfacial point defect clusters. Effective migration rates may be computed using the harmonic approximation of transition state theory with a temperature-dependent prefactor. Our results demonstrate that delocalized vacancies and interstitials at some interfaces may be viewed as genuine defects, albeit governed by mechanisms of higher complexity than conventional point defects in crystalline solids.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1103/PhysRevB.85.205416
