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MM: Fachverband Metall- und Materialphysik

MM 53: Structural Materials (Steels, light-weight materials, high-temperature materials) - II

MM 53.2: Vortrag

Donnerstag, 19. März 2020, 12:00–12:15, BAR 205

Alloying impact on phase stability in ZrAl₃ — •Dominik Gehringer¹, Florian Schmid², Stefan Pogatscher², and David Holec¹ — ¹Department of Materials Science, Montanuniversität Leoben, Franz-Josef-Strasse 18, A-8700 Leoben, Austria — ²Christian Doppler Laboratory for Advanced Aluminium Alloys, Chair of Nonferrous Metallurgy, Montanuniversität Leoben, Franz-Josef-Strasse 18, A-8700 Leoben, Austria

During homogenization, Al₃Zr-particles precipitate out of super-saturated Zr-alloyed aluminum alloys and serve for grain size stabilization via Zener drag and can contribute to an increased strength. Al₃Zr exhibits three different crystal structures, L1₂, D0₂₂ and D0₂₃ but only the L1₂ shows a favorable coherent interface with the aluminum matrix. Here we present an ab initio study of alloying impact on their stability by considering 16 doping elements. Three criteria were considered: site preference for the alloying elements, formation energies and stacking fault energies acting as a kinetic stabilization complementing the alloy design based solely on thermodynamics. In our contribution we will present the above described analysis in detail together with the suggested novel alloys. These predictions will be corroborated by our preliminary experimental results.