S. Hallstrom, L. Hoglund, J. Agren, KTH, Stockholm, Sweden
A long missing feature in the diffusion simulation software DICTRA has been the diffusion in complex phases with many sub-lattices, for example complex oxides. Recently, this capability was implemented, and in this talk we present some results of the current achievements.
DICTRA can now treat diffusion in basically any oxide, provided that there is diffusion data available and that the necessary mobilities have been assessed. The first system to be addressed was the important Fe-O system. It contains three different oxides, from the simple wustite to the complex magnetite, which has the spinel structure. The current approach was successful, and the work was continued with the Cr-O system and the technically important Fe-Cr-O.
We will show the diffusion models and the results of the assessment, as well as successful simulations of oxidation where layers of oxides grow on top of an Fe or Fe-Cr substrate.
Summary: A new feature of the diffusion simulation software DICTRA version 25 is presented.