Phase Field Modeling of Tetragonal to Monoclinic Phase Transformation at Zirconium Oxide
Tetragonal to monoclinic phase transformation at the zirconium oxide layer is an important factor in changing the oxidation kinetics and also promoting breakaway oxidation in Zircaloy fuel rod claddings. This transformation affects the stress state at the oxide layer close to the metal/oxide interface. The amplitude of these internal stresses can significantly change the kinetics of oxidation. In this work, we presented a phase field model to investigate the tetragonal to monoclinic phase transformation in zirconium oxide layer. All necessary driving forces including bulk free energy, interfacial energy and elastic energy were taken into account, and the symmetry reduction between parent and products has been assigned to different non-conserved order parameters. Transformation stages from nucleation, growth and coarsening of variants were simulated. Development of internal stresses due to this transformation, which is the source of oxidation breakaway, was studied.
M. Mamivand et al., "Phase Field Modeling of Tetragonal to Monoclinic Phase Transformation at Zirconium Oxide," TMS Annual Meeting, pp. 885-891, Minerals, Metals and Materials Society, Mar 2013.
The definitive version is available at https://doi.org/10.1002/9781118663547.ch110
142nd Annual Meeting and Exhibition: Linking Science and Technology for Global Solutions (2013: Mar. 3-7, San Antonio, TX)
Materials Science and Engineering
Keywords and Phrases
Break-away oxidation; Kinetics of oxidation; Oxidation kinetics; Phase field models; Phase-field modeling; Symmetry reduction; Tetragonal to monoclinic; Tetragonal to monoclinic phase transformations; Exhibitions; Interface states; Mathematical models; Oxidation; Oxides; Phase interfaces; Phase transitions; Solid solutions; Zirconia
International Standard Book Number (ISBN)
Article - Conference proceedings
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01 Mar 2013