Modeling and simulation of martensitic phase transitions with a triple point |
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Authors: | Patrick W. Dondl |
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Affiliation: | a Division of Engineering and Applied Science, California Institute of Technology, Mail Stop 104-44, Pasadena, CA 91125, USA b Max-Planck-Institute for Mathematics in the Sciences, Inselstr. 22, 04103 Leipzig, Germany |
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Abstract: | A framework for modeling complex global energy landscapes in a piecewise manner is presented. Specifically, a class of strain-dependent energy functions is derived for the triple point of Zirconia (ZrO2), where tetragonal, orthorhombic (orthoI) and monoclinic phases are stable. A simple two-dimensional framework is presented to deal with this symmetry breaking. An explicit energy is then fitted to the available elastic moduli of Zirconia in this two-dimensional setting. First, we use the orbit space method to deal with symmetry constraints in an easy way. Second, we introduce a modular (piecewise) approach to reproduce or model elastic moduli, energy barriers and other characteristics independently of each other in a sequence of local steps. This allows for more general results than the classical Landau theory (understood in the sense that the energy is a polynomial of invariant polynomials). The class of functions considered here is strictly larger. Finite-element simulations for the energy constructed here demonstrate the pattern formation in Zirconia at the triple point. |
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Keywords: | 61.50.Ks 62.20.&minus x 81.30.Kf |
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