We are excited to announce that Dr. Shubham Pandey from Materials Design, Inc. will be delivering a keynote presentation at the International Conference on Corrosion and Coatings (i3C) 2025, which will be held on February 6-7, 2025 at Hotel Vivanta, Golmuri, Jamshedpur. The conference, organized by the IIM Jamshedpur Chapter in collaboration with CSIR-NML, Tata Steel, and NIT Jamshedpur, will bring together experts in corrosion, coatings, and materials science to discuss the latest advancements and challenges in the field.
Session 5-a Details:
Date & Time: 14:30 – 14:50 hrs, February 7, 2025
Speaker: Dr. Shubham Pandey, Materials Design, Inc., San Diego, CA
Abstract: Increasing the nuclear fuel life cycle in commercial reactors is vital for achieving high fuel burnup. However, extending burnup degrades zirconium alloy cladding due to oxidation and hydrogenation. In light-water reactors, zirconium reacts with water coolant, forming a zirconia film and releasing hydrogen gas. Some hydrogen dissolves in the zirconium lattice, but excess hydrogen precipitates as hydrides (ZrHx), causing hydrogen embrittlement. This reduces the ductility and increases the likelihood of cladding failure. Predicting the microstructure and phase transitions of ZrHx and ZrO2 is critical. The phase-field method models morphological and microstructural evolution, using inputs from quantum-mechanical calculations and atomistic modeling. In this work, ab-initio calculations are employed to develop a machine-learned potential (MLP) in the Zr-O-H phase space, which is used to develop a phase-field model. The MLP and phase-field models predict phase transitions in zirconia and successfully model the columnar growth of oxide film, as seen in experimental micrographs.
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