File Download

There are no files associated with this item.

  Links for fulltext
     (May Require Subscription)
Supplementary

Article: Simulation of Segregation to Free Surfaces in Cubic Oxides

TitleSimulation of Segregation to Free Surfaces in Cubic Oxides
Authors
Battaile, Corbett C.Najafabadi, RezaSrolovitz, David J.
Issue Date1995
Citation
Journal of the American Ceramic Society, 1995, v. 78, n. 12, p. 3195-3200 How to Cite?
DOI: http://dx.doi.org/10.1111/j.1151-2916.1995.tb07954.x
AbstractSegregation of isovalent solute cations to (001) and (001) free surfaces in cubic metal oxides is investigated using atomistic computer simulations. Solute concentrations are represented by a mean‐field approximation, and equilibrium distributions of solute are calculated by minimizing the free energy. Surface energy effects are found to dominate segregation behavior, even when in competition with misfit strain energy effects. Results are compared with a conventional Langmuir‐McLean (LM) analysis. The two approaches are found to agree well in certain cases, but the LM treatment fails to reproduce important phenomena revealed using the free energy method (i.e., segregation to subsurface atomic layers). Copyright © 1995, Wiley Blackwell. All rights reserved
Persistent Identifierhttp://hdl.handle.net/10722/303138
ISSN
0002-7820
2023 Impact Factor: 3.5
2023 SCImago Journal Rankings: 0.819
ISI Accession Number ID
WOS:A1995TL32900002

 

DC FieldValueLanguage
dc.contributor.authorBattaile, Corbett C.-
dc.contributor.authorNajafabadi, Reza-
dc.contributor.authorSrolovitz, David J.-
dc.date.accessioned2021-09-15T08:24:42Z-
dc.date.available2021-09-15T08:24:42Z-
dc.date.issued1995-
dc.identifier.citationJournal of the American Ceramic Society, 1995, v. 78, n. 12, p. 3195-3200-
dc.identifier.issn0002-7820-
dc.identifier.urihttp://hdl.handle.net/10722/303138-
dc.description.abstractSegregation of isovalent solute cations to (001) and (001) free surfaces in cubic metal oxides is investigated using atomistic computer simulations. Solute concentrations are represented by a mean‐field approximation, and equilibrium distributions of solute are calculated by minimizing the free energy. Surface energy effects are found to dominate segregation behavior, even when in competition with misfit strain energy effects. Results are compared with a conventional Langmuir‐McLean (LM) analysis. The two approaches are found to agree well in certain cases, but the LM treatment fails to reproduce important phenomena revealed using the free energy method (i.e., segregation to subsurface atomic layers). Copyright © 1995, Wiley Blackwell. All rights reserved-
dc.languageeng-
dc.relation.ispartofJournal of the American Ceramic Society-
dc.titleSimulation of Segregation to Free Surfaces in Cubic Oxides-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1111/j.1151-2916.1995.tb07954.x-
dc.identifier.scopuseid_2-s2.0-0029547693-
dc.identifier.volume78-
dc.identifier.issue12-
dc.identifier.spage3195-
dc.identifier.epage3200-
dc.identifier.eissn1551-2916-
dc.identifier.isiWOS:A1995TL32900002-

Export via OAI-PMH Interface in XML Formats

OR

Export to Other Non-XML Formats