Atomistic Simulation of Y-Doped [alpha]-Alumina Interfaces

The exact mechanism of creep resistance enhancement due to yttrium (Y) doping in α-alumina is still subject to speculation, although it is known that dopants segregate strongly to grain boundaries. The current work applies atomistic simulation techniques to the study of segregation to a reasonable n...

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Bibliographic Details
Published inJournal of the American Ceramic Society Vol. 91; no. 11; pp. 3643 - 3651
Main Authors Galmarini, Sandra, Aschauer, Ulrich, Bowen, Paul, Parker, Stephen C
Format Journal Article
LanguageEnglish
Published Columbus Wiley Subscription Services, Inc 01.11.2008
Subjects
Alumina
Ceramic sintering
Ceramics
Creep rupture strength
Diffusion coefficient
Dopants
Grain boundaries
Materials science
Nucleation
Precipitates
Precipitation
Simulation
Studies
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ISSN0002-7820
1551-2916
DOI10.1111/j.1551-2916.2008.02619.x

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Summary:The exact mechanism of creep resistance enhancement due to yttrium (Y) doping in α-alumina is still subject to speculation, although it is known that dopants segregate strongly to grain boundaries. The current work applies atomistic simulation techniques to the study of segregation to a reasonable number of interfaces in Y-doped α-alumina. Y is shown to segregate stronger to surfaces than grain boundaries and to form ordered structures at the interfaces, which may decrease diffusion coefficients. These Y-ordered regions may act as nucleation sites for YAG precipitates particularly for rapid sintering techniques. [PUBLICATION ABSTRACT]
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ISSN:0002-7820
1551-2916
DOI:10.1111/j.1551-2916.2008.02619.x