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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Singh, Harishchandra
University of Oulu
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (7/7 displayed)
- 2024Decoding the oxidation mechanism of Zircaloy-4 via in situ synchrotron X-ray diffraction and computational elucidation
- 2022Uncovering temperature-tempted coordination of inclusions within ultra-high-strength-steel via in-situ spectro-microscopycitations
- 2022Unveiling nano-scaled chemical inhomogeneity impacts on corrosion of Ce-modified 2507 super-duplex stainless steelscitations
- 2022Unveiling nano-scaled chemical inhomogeneity impacts on corrosion of Ce-modified 2507 super-duplex stainless steelscitations
- 2021Unveiling interactions of non-metallic inclusions within advanced ultra-high-strength steel: A spectro-microscopic determination and first-principles elucidation
- 2020Synergistic effect of Ni–Ag–rutile TiO2 ternary nanocomposite for efficient visible-light-driven photocatalytic activitycitations
- 2020Harnessing photo/electro-catalytic activityvianano-junctions in ternary nanocomposites for clean energycitations
Places of action
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article
Decoding the oxidation mechanism of Zircaloy-4 via in situ synchrotron X-ray diffraction and computational elucidation
Abstract
Comprehensive understanding of the oxidation behavior of Zr alloys, a vital cladding material in nuclear power plants, is essential for developing improved materials and enhancing the safety and performance of nuclear systems. Herein, the bulk oxidation behavior in ambient air atmosphere of Zircaloy-4 were revisited through in situ synchrotron X-ray diffraction and DFT computation. The results reveal the phase transition sequences at a representative 900 °C oxidation temperature: hcp Zr recrystallizes rapidly and then transforms into bcc Zr while reaching the α+β transus, followed by speedy appearance of textured tetragonal (t-)ZrO$_2$, monoclinic (m-)ZrO$_2$ and ZrN that consume oxygen and nitrogen. Continuous air ingress favors t-ZrO2 and m-ZrO2 dominance, accompanied by re-oxidation of ZrN into t-ZrO$_2$ due to its low thermodynamic stability revealed by experiment-informed DFT calculation and low oxygen activity at the oxide-metal interface. Ensemble-averaged lattice volume expansions during phase transitions have been quantified. This expansion-induced compressive stress promotes the presence of a significant fraction of t-ZrO$_2$ at elevated temperature that eventually transforms into m-ZrO$_2$ during cooling.