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.

Meeting Name

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)


Document Type

Article - Conference proceedings

Document Version


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Publication Date

01 Mar 2013