| FRIÁK, Martin, Yvonna JIRÁSKOVÁ, David HOLEC, Nikola KOUTNÁ, Ivana MIHÁLIKOVÁ, Anton SLÁVIK, Naděžda PIZÚROVÁ, Ferdinand DOBEŠ, Petr DYMÁČEK, Petr ŠESTÁK, Jan FIKAR, Sabina KOVAŘÍKOVÁ OWEIS, Monika VŠIANSKÁ, Jana PAVLŮ, Vilma BURŠÍKOVÁ, Jörg NEUGEBAUER a Mojmír ŠOB. Quantum-mechanical study of Fe-Al-based intermetallic compounds. In Intermetallics 2019. 2019. ISBN 978-3-948023-07-2. |
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@proceedings{1647076,
author = {Friák, Martin and Jirásková, Yvonna and Holec, David and Koutná, Nikola and Miháliková, Ivana and Slávik, Anton and Pizúrová, Naděžda and Dobeš, Ferdinand and Dymáček, Petr and Šesták, Petr and Fikar, Jan and Kovaříková Oweis, Sabina and Všianská, Monika and Pavlů, Jana and Buršíková, Vilma and Neugebauer, Jörg and Šob, Mojmír},
booktitle = {Intermetallics 2019},
keywords = {ab initio calculations; Fe-Al-based superalloys; alloying; Ti; Co},
language = {eng},
isbn = {978-3-948023-07-2},
title = {Quantum-mechanical study of Fe-Al-based intermetallic compounds},
year = {2019}
}
TY - CONF
ID - 1647076
AU - 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
PY - 2019
TI - Quantum-mechanical study of Fe-Al-based intermetallic compounds
SN - 9783948023072
KW - ab initio calculations
KW - Fe-Al-based superalloys
KW - alloying
KW - Ti
KW - Co
N2 - 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).
ER -
FRIÁK, Martin, Yvonna JIRÁSKOVÁ, David HOLEC, Nikola KOUTNÁ, Ivana MIHÁLIKOVÁ, Anton SLÁVIK, Naděžda PIZÚROVÁ, Ferdinand DOBEŠ, Petr DYMÁČEK, Petr ŠESTÁK, Jan FIKAR, Sabina KOVAŘÍKOVÁ OWEIS, Monika VŠIANSKÁ, Jana PAVLŮ, Vilma BURŠÍKOVÁ, Jörg NEUGEBAUER a Mojmír ŠOB. Quantum-mechanical study of Fe-Al-based intermetallic compounds. In \textit{Intermetallics 2019}. 2019. ISBN~978-3-948023-07-2.
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