Numerical analysis of Al2O3 and TiO2 growth and oxygen dissolution in a metal substrate during the isothermal oxidation of an α-Ti alloy at 973 K

Oxide growth of Al2O3 and TiO2 as well as O dissolution during the oxidation of an α-Ti alloy at 973 K were simulated using the finite volume method coupled with the calculation of phase diagrams (CALPHAD) method. The results indicated that the addition of 11.02 at.% Al to a Ti–O system resulted in the formation of an 18-nm-thick Al2O3 layer, which decelerated TiO2 growth and O dissolution in the substrate. An increase in the O concentration at the oxide–metal interface was also inhibited by Al2O3 formation. A thin Al-depletion zone was formed at the oxide–metal interface. Furthermore, Al2O3 formation was restricted by the low concentration and diffusivity of Al in the substrate.