Esfuerzo de corte en Interfaces Fe/Fe3O4

Abstract The mechanical stability of oxides formed on metallic alloys is a key concern in the determination of component susceptibility to the medium in contact and the applicability of the alloy to high temperatures and other extreme conditions. In this context, the energy of adhesion is a key parameter. Density functional Theory (DFT) and other atomistic methods are fundamental tools in the determination of this quantity for Metal/Oxide interfaces. In this paper Fe(BCC) / Magnetite interface is assessed within the DFT approach. This system is of general interest, given that magnetite (Fe3O4)...