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Systematic study of grain boundary atomistic structures and related properties in cubic zirconia bicrystals

  • N. Shibata EMAIL logo , F. Oba , T. Yamamoto and Y. Ikuhara
Published/Copyright: January 22, 2022

Abstract

Systematic grain boundary study of cubic zirconia has been conducted by using bicrystals. It is clearly demonstrated that grain boundary atomistic structures dramatically change according to the misorientations and plane orientations of the boundaries, resulting in a dramatic change of excess energies and solute segregation behaviors. Combining with theoretical calculations, it is found that grain boundaries possess unique coordination-deficient cation sites at the cores, and their densities have a clear correlation with these properties in high-angle grain boundaries. This result indicates that grain boundary properties in ceramics are possibly determined by the accumulation of coordination-deficient sites. Thus, systematic grain boundary study using bicrystal offers fundamental understandings of the relationship between atomistic structures and properties in ceramic grain boundaries.


N. Shibata Institute of Engineering Innovation School of Engineering, University of Tokyo Yayoi 2-11-16, Bunkyo-ku, Tokyo, J113-8656, Japan Tel.: +81 3 5841 7756 Fax: +81 3 5841 7694

Dedicated to Professor Dr. Duk Yong Yoon on the occasion of his 65th birthday


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Received: 2004-09-09
Accepted: 2004-11-09
Published Online: 2022-01-22

© 2005 Carl Hanser Verlag, München

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