Numerical Simulation of High-Temperature Steel Oxidation by Means of the Cellular Automata Approach: Model Development and Experimental Verification

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The project aims at the development of a simulation software based on the cellular automata method, which can predict and explain the oxide formation on high-temperature chromium steels in steam power plants. In combination with the CALPHAD approach, the software will be able to predict both, the formation and growth and the dissociation of different compounds below and above the initial metal surface for different gas compositions. Simulations will be performed for systems with different microstructural features so that the process of compound formation and growth can be studied as a function of the grain sizes and shapes. Parallel to the development of the physical model and the simulation software, complementary experimental studies are scheduled that are necessary to provide input data and to optimize/verify the modeling concept. Although the main aim of the proposed research is focused on the oxidation behavior of chromium steels, the simulation software can be employed to investigate the corrosion and oxidation of other alloys with minor modifications.