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Modeling transformation paths of multiphase materials: The triple point of zirconia


Reference:

Dondl, P. W., Hormann, K. and Zimmer, J., 2009. Modeling transformation paths of multiphase materials: The triple point of zirconia. Physical Review B, 79 (10), 104114.

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    Official URL:

    http://dx.doi.org/10.1103/PhysRevB.79.104114

    Abstract

    We propose a general method for modeling transformation paths of multiphase materials such that elastic moduli can be fitted exactly. The energy landscape obtained in this way is global and automatically enjoys the correct symmetries. The method is applied to the triple point of zirconia, where tetragonal, orthorhombic (orthoI), and monoclinic phases meet. An explicit and relatively simple expression yields a phenomenological model in the two-dimensional space spanned by a set of order parameters. We also show how to extend this energy to a fully three-dimensional model with an exact fit of all given elastic moduli.

    Details

    Item Type Articles
    CreatorsDondl, P. W., Hormann, K. and Zimmer, J.
    DOI10.1103/PhysRevB.79.104114
    Uncontrolled Keywordselastic moduli, critical points, zirconium compounds, solid-state phase transformations
    DepartmentsFaculty of Science > Mathematical Sciences
    Publisher StatementZimmer_PRB_2009_79_104114.pdf: Dondl, P. W., Hormann, K. and Zimmer, J., 2009. Modeling transformation paths of multiphase materials: The triple point of zirconia. Physical Review B, 79 (10), 104114. Copyright (2009) by the American Physical Society.
    RefereedYes
    StatusPublished
    ID Code14157

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