Publication details

Quantum-mechanical study of Fe-Al-based intermetallic compounds

Authors

FRIÁK Martin JIRÁSKOVÁ Yvonna HOLEC David KOUTNÁ Nikola MIHÁLIKOVÁ Ivana SLÁVIK Anton PIZÚROVÁ Naděžda DOBEŠ Ferdinand DYMÁČEK Petr ŠESTÁK Petr FIKAR Jan KOVAŘÍKOVÁ OWEIS Sabina VŠIANSKÁ Monika PAVLŮ Jana BURŠÍKOVÁ Vilma NEUGEBAUER Jörg ŠOB Mojmír

Year of publication 2019
Type Conference abstract
MU Faculty or unit

Faculty of Science

Citation
Description Fe-Al-based superalloys represent a promising class of materials with large potential for high-temperature applications. Their mechanical properties can be modified and tuned by adding different intermetallic compounds. To achieve an understanding of the impact of such alloying additions we have performed a systematic theoretical study of intermetallics which form when adding Ti or Co, with a particular focus on Fe2TiAl and Fe2CoAl. Our first principles quantum mechanical calculations were performed using the Vienna Ab initio Simulation Package (VASP).
Related projects:

You are running an old browser version. We recommend updating your browser to its latest version.

More info