Regensburg 2013 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 33: Structural Materials
MM 33.5: Vortrag
Mittwoch, 13. März 2013, 11:15–11:30, H26
Stability of TCP phases in Co-based superalloys: Comparison of ab initio results with structure maps — •Jörg Koßmann, Thomas Hammerschmidt, and Ralf Drautz — ICAMS, Ruhr-Universität Bochum, Germany
Single crystal superalloys based on Ni are commonly used as turbine blades in industrial gas turbines for aero-engines and power plants. The observation of a stable Co3(Al,W) phase with L12 structure showed that single crystal alloys based on Co can also be fabricated. Such Co-based systems exhibit similar hardening mechanisms at a potentially higher melting point. Hence, we compare Co-based systems using high-throughput density functional theory calculations. In particular, we determine the heat of formation of the A15, C14, C15, C36, µ, χ and σ phases (with every possible stoichiometry) of the binary systems Co-W, Al-W, and Co-Al. We show that our DFT results are in line with a recently derived structure map based on experimental data. This work is part of the collaborative research center SFB/TR 103.