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A spectroscopic hike in the U–O phase diagram

Prieur, Damien; Desagulier, Marie-Margaux; Neuville, Daniel R.; Guéneau, Christine; Epifano, Enrica; Dardenne, Kathy ORCID iD icon 1; Rothe, Joerg ORCID iD icon 1; Martin, Philippe
1 Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)

Abstract (englisch):

The U-O phase diagram is of paramount interest for nuclear-related applications and has therefore been extensively studied. Experimental data have been gathered to feed the thermodynamic calculations and achieve an optimization of the U-O system modelling. Although considered as well established, a critical assessment of this large body of experimental data is necessary, especially in light of the recent development of new techniques applicable to actinide materials. Here we show how in situ X-ray absorption near-edge structure (XANES) is suitable and relevant for phase diagram determination. New experimental data points have been collected using this method and discussed in regard to the available data. Comparing our experimental data with thermodynamic calculations, we observe that the current version of the U-O phase diagram misses some experimental data in specific domains. This lack of experimental data generates inaccuracy in the model, which can be overcome using in situ XANES. Indeed, as shown in the paper, this method is suitable for collecting experimental data in non-ambient conditions and for multiphasic systems.

Verlagsausgabe §
DOI: 10.5445/IR/1000139975
Veröffentlicht am 12.11.2021
DOI: 10.1107/S1600577521010572
Zitationen: 3
Web of Science
Zitationen: 2
Zitationen: 2
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Nukleare Entsorgung (INE)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 11.2021
Sprache Englisch
Identifikator ISSN: 1600-5775
KITopen-ID: 1000139975
HGF-Programm 32.11.01 (POF IV, LK 01) Nuclear Waste Disposal
Weitere HGF-Programme 54.11.11 (POF IV, LK 01) Accelerator Operation, Research and Development
Erschienen in Journal of synchrotron radiation
Verlag International Union of Crystallography
Band 28
Heft 6
Seiten 1684–1691
Vorab online veröffentlicht am 03.11.2021
Schlagwörter UO2, in situ XANES, thermodynamics, CALPHAD method
Nachgewiesen in Scopus
Web of Science
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