Quantum-mechanical study of Fe-Al-based intermetallic compounds
| Authors | |
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| Year of publication | 2019 |
| Type | Conference abstract |
| MU Faculty or unit | |
| 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). |
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