Modelling the Corrosion of Mg-Zn Coatings

First principles theory will be used to investigate the formation of corrosion product on Mg-Zn alloys. The average thermodynamics of the water-alloy interface is currently estimated from electrochemical measurements only and fails to explain the complex mesoscale ordered phases observed in microscopy. Currently proposed kinetic mechanisms are based one measured electrode currents which do not provide molecular level information directly. In this project surface Pourbaix diagrams will be computed for the pure elements and alloys and mechanisms for oxy-hydroxide formation explored.