Diffuse-interface modelling of multicomponent diffusion and phase separation in the U-O-Zr ternary system - CEA - Commissariat à l’énergie atomique et aux énergies alternatives Access content directly
Journal Articles Computational Materials Science Year : 2022

Diffuse-interface modelling of multicomponent diffusion and phase separation in the U-O-Zr ternary system

Abstract

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.
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Dates and versions

cea-04017202 , version 1 (07-03-2023)

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Mirantsoa-Aimé Rasolofomanana, Clément Cardon, Mathis Plapp, Thomas Philippe, Hervé Henry, et al.. Diffuse-interface modelling of multicomponent diffusion and phase separation in the U-O-Zr ternary system. Computational Materials Science, 2022, 214, pp.111650. ⟨10.1016/j.commatsci.2022.111650⟩. ⟨cea-04017202⟩
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