Initial atomic-scale oxidation pathways on a Ni–15Cr(100) alloy surface

To understand the atomistic phenomenon behind initial oxidation processes, we have studied the nanoscale evolution of oxide growth prior to the formation of a complete layer on a Ni–15 wt%Cr(100) alloy surface using scanning tunneling microscopy/spectroscopy (STM/STS). At the onset of oxidation, a NiO superlattice forms oxide wedges across the step edges, eventually growing across the terraces. The completion of the NiO layer is followed by nucleation of the next layer, which always commences at the groove site of the superlattice. The Cr-oxide formation initiates as disk-shaped oxide particles early in the oxidation process, which Monte Carlo simulations reveal are likely caused by Cr clustering across the alloy surface. Upon further oxidation, a Cr(100)-p(2 × 2)O reconstructed surface is observed, indicating phase separation of Cr predicates the formation of the passive Cr-oxide film. The STS results vary across the oxide–alloy interface and between each oxide, providing greater insight into the origins of electronic heterogeneity and their effect on oxide growth. Using these data, we propose an oxidation model that highlights the growth of partial oxide layers on Ni–Cr(100) alloys within the pre-Cabrera–Mott regime.

Numerical Simulation and Validation for Early Core Degradation Phase under Severe Accidents

Early core degradation determines the amount of hydrogen generated by cladding oxidation as well as the temperature, the mass, and the composition of corium that further relocates into the lower head of reactor pressure vessel (RPV), which is essential for the effectiveness analysis of in-vessel retention (IVR) and hydrogen recombiners. In this paper, the mechanisms of controlling phenomena in the early phase of core degradation are analysed at first. Then, numerical models adopted to calculate (1) core heating up, (2) cladding oxidation, (3) dissolution between molten zirconium and fuel pellets, and (4) formation of a molten pool in the core active section are presented. Compared with integral codes for severe accident analysis (such as MAAP and MELCOR), the models in this paper are established at the fuel pin level and the calculation is performed in 3D, which can capture the detail local phenomena during the core degradation and eliminate the average effect due to equivalent rings used in integral codes. In addition, most of the control equations in this paper are calculated by implicit schemes, which can improve the accuracy and stability of the calculation. In the simulation, the calculation oxidation is calculated by using the oxygen diffusion model, while the dissolution is calculated with Kim, Hayward, Hofmann, and IBRAE models to perform uncertainty analysis. For the validation, the cladding oxidation model is verified by Olander theoretical cases in the conditions of both steam-rich and steam-starved. The dissolution models are validated by the RIAR experiment. The code is overall verified by Phebus FPT0 on the integral phase of core early degradation. According to the simulation results, it can be inferred that the dissolution reaction between the molten zirconium and fuel pellets is the main reason for the melting of UO2 at low temperature. In the case of starved steam, part of the fuel pellets can melt down even at 2248 K and relocate to the bottom of the core, which is much lower than the melting point of UO2 (3113 K).