Atomistic Simulation of Y-Doped α-Alumina Interfaces

  1. Sandra Galmarini1,
  2. Ulrich Aschauer1,*,
  3. Paul Bowen1,
  4. Stephen C. Parker2

Article first published online: 26 SEP 2008

DOI: 10.1111/j.1551-2916.2008.02619.x

Issue

Journal of the American Ceramic Society

Journal of the American Ceramic Society

Volume 91, Issue 11, pages 3643–3651, November 2008

Additional Information

How to Cite

Galmarini, S., Aschauer, U., Bowen, P. and Parker, S. C. (2008), Atomistic Simulation of Y-Doped α-Alumina Interfaces. Journal of the American Ceramic Society, 91: 3643–3651. doi: 10.1111/j.1551-2916.2008.02619.x

Author Information

  1. 1

    Laboratoire de technologie des poudres, Ecole polytechnique fédérale de Lausanne, 1015 Lausanne, Switzerland

  2. 2

    Department of Chemistry, University of Bath, Bath BA2 7AY, U.K.

*†Author to whom correspondence should be addressed. e-mail: uli.aschauer@epfl.ch

Publication History

  1. Issue published online: 24 NOV 2008
  2. Article first published online: 26 SEP 2008
  3. Manuscript No. 24340. Received February 21, 2008; approved June 29, 2008.

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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.

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