Hickel, T.; Sandschneider, N.; Friák, M.; Neugebauer, J.; Ouyang, Y.: Ab initio determination of point defects and derived diffusion properties in metals. TMS Annual meeting 2012, Orlando, FL, USA (2012)
Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: The influence of ternary additions in the Fe2Nb C14 Laves phase. ICAMS Advanced Discussions, Bochum, Germany (2012)
Izanlou, A.; Todorova, M.; Friák, M.; Neugebauer, J.: Ab initio study of stability of Fe3Al surfaces in contact with an oxygen atmosphere. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
Izanlou, A.; Todorova, M.; Friák, M.; Neugebauer, J.: Ab initio study of stability of Fe3Al surfaces in contact with an oxygen atmosphere. 1st Austrian/German Workshop on Computational Materials Design, Kramsach, Austria (2012)
Elstnerová, P.; Friák, M.; Šob, M.; Neugebauer, J.: Prediction of the Ground State of NiN and Ni2N within the Quantum Mechanical Study. Multiscale Design of Advanced Materials, Brno, Czech Republic (2011)
Izanlou, A.; Todorova, M.; Friák, M.; Palm, M.; Neugebauer, J.: Theoretical study of the environmental effect of H-containing gases on Fe–Al surfaces. FeAl2011, Discussion Meeting on the Development of Innovative Iron Aluminium Alloys, Lanzarote, Canary Islands, Spain (2011)
Elstnerová, P.; Friák, M.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions - A Quantum-Mechanical Study. 12th International Symposium on Physics of Materials, Prague, Czech Republic (2011)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
The segregation of impurity elements to grain boundaries largely affects interfacial properties and is a key parameter in understanding grain boundary (GB) embrittlement. Furthermore, segregation mechanisms strongly depend on the underlying atomic structure of GBs and the type of alloying element. Here, we utilize aberration-corrected scanning…
This project studies the influence of grain boundary chemistry on mechanical behaviour using state-of-the-art micromechanical testing systems. For this purpose, we use Cu-Ag as a model system and compare the mechanical response/deformation behaviour of pure Cu bicrystals to that of Ag segregated Cu bicrystals.
The aim of this project is to develop novel nanostructured Fe-Co-Ti-X (X = Si, Ge, Sn) compositionally complex alloys (CCAs) with adjustable magnetic properties by tailoring microstructure and phase constituents through compositional and process tuning. The key aspect of this work is to build a fundamental understanding of the correlation between…
In this project, we aim to enhance the mechanical properties of an equiatomic CoCrNi medium-entropy alloy (MEA) by interstitial alloying. Carbon and nitrogen with varying contents have been added into the face-centred cubic structured CoCrNi MEA.