Diffuse-interface modelling of multicomponent diffusion and phase separation in the U-O-Zr ternary system
| Autor: | M.A. Rasolofomanana, C. Cardon, M. Plapp, T. Philippe, H. Henry, R. Le Tellier |
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| Přispěvatelé: | Service Mesures et modélisation des Transferts et des Accidents graves (SMTA), Département Technologie Nucléaire (DTN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Laboratoire de physique de la matière condensée (LPMC), École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS), This work has been carried out within the framework of the PROCOR platform development funded byCEA, EDF and Framatome., CEA Cadarache, Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Laboratoire de Physique de la Matière Condensée (LPMC), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
[PHYS]Physics [physics]
Cahn-Hilliard General Computer Science General Physics and Astronomy General Chemistry in-vessel corium Computational Mathematics liquid phase segregation CALPHAD Mechanics of Materials U-O-Zr system [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] multicomponent diffusion General Materials Science |
| Zdroj: | Computational Materials Science Computational Materials Science, 2022, 214, pp.111650. ⟨10.1016/j.commatsci.2022.111650⟩ |
| ISSN: | 0927-0256 |
| Popis: | International audience; The ternary mixture of uranium, zirconium and oxygen is investigated as a minimal model for corium, the mixture that forms after the meltdown of a nuclear reactor. Like corium, U-Zr-O exhibits a liquid-liquid phase separation between a metal-rich and an oxyde-rich phase at high temperatures. A CALPHAD database built on an associate model is used to set up a ternary Cahn-Hilliard model, which can describe two-phase patterns in U-Zr-O and may be coupled to the Navier-Stokes equations for hydrodynamic flows. The interface structure and properties, which depend on the choice on the gradient energy coefficients in the free-energy functional, are studied in detail. It is found that interface adsorption is generally present, but that its magnitude is small, such that the model remains a robust and useful tool for future simulations of corium pool stratification dynamics. |
| Databáze: | OpenAIRE |
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