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Meeting 2027 TMS Annual Meeting & Exhibition
Symposium Computational Thermodynamics and Kinetics
Presentation Title Stress-coupled phase-field simulation of high-temperature zirconium oxidation in two dimensions
Author(s) Jiho Kim, Kunok Chang
On-Site Speaker (Planned) Jiho Kim
Abstract Scope Oxidation of zirconium-based nuclear fuel cladding under loss-of-coolant-accident (LOCA) conditions is accompanied by substantial volume expansion as the metal transforms to oxide, generating internal stresses that can alter oxidation kinetics and promote oxide cracking. In this study, we extend a multiphase Kim–Kim–Suzuki (KKS) phase-field model to a two-dimensional system with fully stress-coupled simulations of high-temperature zirconium oxidation. Phase-dependent thermodynamics are derived from a CALPHAD description of the Zr–O system, while transformation-induced eigenstrains couple the evolving HCP-Zr, BCC-Zr, and monoclinic zirconium oxide phases to the MOOSE framework. This formulation captures the mechanochemical feedback between elastic stress and the chemical driving force for oxygen diffusion and interface migration. Two-dimensional simulations reveal how compressive stress fields develop around the advancing oxide and how this coupling perturbs the parabolic growth kinetics expected from Wagner's theory. The results provide a microstructure-resolved basis for understanding stress-assisted oxidation in accident-tolerant cladding design.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Other, Other

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