Grain-boundary structures in polycrystalline metals at the nanoscale

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dc.contributorVirginia Techen
dc.contributor.authorVan Swygenhoven, H.en
dc.contributor.authorFarkas, Dianaen
dc.contributor.authorCaro, Alfredoen
dc.contributor.departmentMaterials Science and Engineering (MSE)en
dc.date.accessed2014-04-23en
dc.date.accessioned2014-05-07T15:36:59Zen
dc.date.available2014-05-07T15:36:59Zen
dc.date.issued2000-07-01en
dc.description.abstractWe present a detailed analysis of grain-boundary structures in computer-generated Cu and Ni three-dimensional nanocrystalline samples. The study includes both totally random and textured microstructures with grain sizes in the range of 5-12 nm. A detailed direct visualization technique is used at the atomic scale for studying the grain-boundary structural features. The study focuses on determining the presence of regions in the boundary exhibiting order and structural units normally expected for high-angle boundaries. For low-angle boundaries we investigate the presence of dislocation networks accommodating the misfit between the grains. A significant degree of crystalline order is found for all the boundaries studied. The highest degree of structural order was identified for boundaries with misfits within about 10 degrees deviation from the perfect twin. These grain boundaries contain a repeated building structure consisting of structural units typical of a Sigma = 3 symmetrical tilt twin boundary and highly disordered steps between those structural units. For all other types of misfit, we also observe some degree of structural coherence, and misfit accommodation occurs in a regular pattern. The cases studied include grain boundaries with a high-index common axis and show structural coherency that is independent of the grain size. Similar results are obtained for textured samples containing only low-angle grain boundaries, where regular dislocation arrays that are typical of larger grain materials are observed. These results provide evidence against the view of grain boundaries in nanocrystals as highly disordered, amorphous, or liquidlike interfaces;The results suggest that the grain-boundary structure in nanocrystalline materials is actually similar to that found in larger grain polycrystals.en
dc.description.sponsorshipSwiss National Science Fund, Grant No. 21-46832.96en
dc.description.sponsorshipCONICET, Argentina, Grant No. PIP 0664/98en
dc.description.sponsorshipNSF Materials Theoryen
dc.description.sponsorshipNSF-CONICET, U.S.-Argentina collaborative international programen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationVan Swygenhoven, H.; Farkas, D.; Caro, A., "Grain-boundary structures in polycrystalline metals at the nanoscale," Phys. Rev. B 62, 831 DOI: http://dx.doi.org/10.1103/PhysRevB.62.831en
dc.identifier.doihttps://doi.org/10.1103/PhysRevB.62.831en
dc.identifier.issn0163-1829en
dc.identifier.urihttp://hdl.handle.net/10919/47850en
dc.identifier.urlhttp://journals.aps.org/prb/abstract/10.1103/PhysRevB.62.831en
dc.language.isoen_USen
dc.publisherAmerican Physical Societyen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectMolecular-dynamics simulationsen
dc.subjectNanophase nien
dc.subjectComputer simulationen
dc.subjectPlastic behavioren
dc.subjectNanocrystalline palladiumen
dc.subjectThermal-stabilityen
dc.subjectAtomic-structureen
dc.subjectCopperen
dc.subjectNickelen
dc.subjectAlloysen
dc.subjectPhysicsen
dc.subjectCondensed matteren
dc.titleGrain-boundary structures in polycrystalline metals at the nanoscaleen
dc.title.serialPhysical Review Ben
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten

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