Phase-field simulation of the stability of reaction phases at UO2/β-Zr interface

Abstract The stability of reaction phases at the UO2/Zr (β-Zr) interface in the O–U–Zr system was simulated by a newly constructed multi-phase-field model. At the UO2/Zr (β-Zr) interface, we assumed a liquid phase and an α-Zr (Hcp) phase. The phase growths and atomic diffusions of the constituent elements were simultaneously calculated in one-dimensional simulations. During isothermal aging at 1500 °C and 1600 °C, the thicknesses of both reaction phases increased. As O diffused much faster than U, O concentration increased immediately in the α-Zr (Hcp) phase. On account of its high O concentration, the α-Zr (Hcp) phase rapidly expanded toward the β-Zr (Bcc) side, blocking the diffusion of U from the liquid phase to the β-Zr (Bcc) phase. The stability of the liquid phase was influenced by the U concentration in the liquid phase and was correlated to the growth of the α-Zr (Hcp) phase that was accelerated by the diffusion of O from UO2 to the α-Zr (Hcp) phase.