A Numerical Formula for General Prediction of Interface Bonding between Alumina and Aluminum-Containing Alloys

Interface termination between alumina and aluminum-containing alloys is discussed from a viewpoint of thermodynamics by extending the authors’ previous discussion on the interface termination between alumina and pure metal. A numerical formula to predict interface bonding at alumina-aluminum-containing alloys is proposed. The effectiveness of the formula is examined by extracting information on interface termination from experimental results and first-principle calculations in references. It is revealed that the prediction by the formula agrees quite well with the results reported in the references. According to the formula, a terminating species can be switched from oxygen to aluminum, which had been actually demonstrated experimentally. The formula uses only basic quantities of pure elements and the formation enthalpy of oxides. Therefore it can be applied for most of aluminum-containing alloys in the periodic table and is useful for material screening in developing interfaces with particular functions.