Numerical Model for Oxide Scale Growth with Explicit Treatment of Vacancy Fluxes

摘要

In the framework of research on behaviour of nuclear waste containers, to evaluate the effects of possible evolution of experimental conditions, as well as evolution of parameters controlling oxidation rate during long-term interim storage, a numerical model has been developed in order to take into account non-stationary states. To anticipate effects like cold working of the metal on the scale growth kinetics and risks of scale detachment by over saturation of vacancies at the metal/oxide interface in the course of scale growth, the model is based on the calculation of chemical species, but also vacancies profiles evolution in the oxide and the metal following a simple time integration. An original numerical treatment is proposed to easily describe elimination of vacancies by introducing sink strength in the metal. The first calculations are presented and discussed.