Project Description
In this project a numerical method for the calculation of phase diagrams is developed and implemented. With their help, the phase diagrams of some promising alloy systems are numerically examined. When selecting particularly suitable systems, the temperature stability and the robustness against minor changes in the composition are of importance. The phase diagrams are equipped with additional evaluation options such as the sensitivity to changes in the input data.
In the further course of the project, the focus is on the realistic thermodynamic simulation of the phase composition of high entropy alloys along typical heat paths. This requires a spatially resolved simulation of the temperature in connection with the diffusion of alloy elements. Representative volumes with typical length scales are used. The numeric version of the procedure uses a multivalent phase field approach. Adaptively refined grids are used in the vicinity of the phase boundaries. Based on this simulation, alloy systems are finally identified that are optimally tailored to their respective requirements.
