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dc.contributor.authorKolluri, Kedarnath
dc.contributor.authorDemkowicz, Michael J.
dc.date.accessioned2012-07-18T15:28:42Z
dc.date.available2012-07-18T15:28:42Z
dc.date.issued2012-05
dc.date.submitted2011-12
dc.identifier.issn1098-0121
dc.identifier.issn1550-235X
dc.identifier.urihttp://hdl.handle.net/1721.1/71682
dc.description.abstractAtomistic 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.en_US
dc.description.sponsorshipNational Science Foundation (U.S.) (Grant No. OCI-1053575)en_US
dc.description.sponsorshipUnited States. Dept. of Energy. Office of Basic Energy Sciences (Award No. 2008LANL1026)en_US
dc.language.isoen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionofhttp://dx.doi.org/10.1103/PhysRevB.85.205416en_US
dc.rightsArticle 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.en_US
dc.sourceAPSen_US
dc.titleFormation, migration, and clustering of delocalized vacancies and interstitials at a solid-state semicoherent interfaceen_US
dc.typeArticleen_US
dc.identifier.citationKolluri, 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 Societyen_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Materials Science and Engineeringen_US
dc.contributor.approverDemkowicz, Michael J.
dc.contributor.mitauthorKolluri, Kedarnath
dc.contributor.mitauthorDemkowicz, Michael J.
dc.relation.journalPhysical Review Ben_US
dc.eprint.versionFinal published versionen_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/PeerRevieweden_US
dspace.orderedauthorsKolluri, Kedarnath; Demkowicz, Michaelen
dc.identifier.orcidhttps://orcid.org/0000-0003-3949-0441
mit.licensePUBLISHER_POLICYen_US
mit.metadata.statusComplete


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