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

N. Shibata, F. Oba, T. Yamamoto, Y. Ikuhara

    Research output: Contribution to journalArticlepeer-review

    1 Citation (Scopus)


    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.

    Original languageEnglish
    Pages (from-to)177-185
    Number of pages9
    JournalZeitschrift fuer Metallkunde/Materials Research and Advanced Techniques
    Issue number2
    Publication statusPublished - 2005 Feb


    • Bicrystal
    • Grain boundary atomistic structure
    • High-resolution transmission electron microscopy
    • Solute segregation
    • Yttria-stabilized cubic zirconia

    ASJC Scopus subject areas

    • Condensed Matter Physics
    • Physical and Theoretical Chemistry
    • Metals and Alloys
    • Materials Chemistry


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