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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur

KFM 14: Mechanical Properties and Alloy Design: e.g. Light-Weight, High-Temperature, Multicomponent Materials (joint session MM/KFM)

KFM 14.4: Talk

Wednesday, March 20, 2024, 12:30–12:45, C 230

The Effect of Al Sublattice in Tuning Elastic Anisotropy in Fe-Ta-Al Laves Phases — •Nisa Ulumuddin, Christina Gasper, Zhuocheng Xie, and Sandra Korte-Kerzel — RWTH Aachen Institut für Metallkunde und Materialphysik

As Laves phases found in alloys are often undesirable due to its brittleness, fundamental knowledge on tuning its mechanical properties can pave the pathway for the enhanced design of engineering alloys. The structural motifs arising from the substitutional mixing of Al into the Fe₂Ta Laves phase at varying Al:Fe ratios were studied by first-principles. The presence of an Al sublattice was found to reduce elastic anisotropy, owing to changes within the bonding nature of the crystal. They induce a higher degree of metallic bonding within the crystal as Al is relatively less electronegative than Fe. The increased degree of non-directional bonding decreases the directional preference for elastic deformation. These results signify the possibility of adjusting the mechanical properties of intermetallics by considering the electronic properties of their individual components.

Keywords: Elasticity; Intermetallics; First-principles; Density Functional Theory; Ternary