Speaker
Andrzej Piotr Kądzielawa
(IT4Innovations, VŠB-TUO)
Description
While the elastic properties of a composite microstructure are relatively straightforward in obtaining (e.g., using the resonance ultrasound spectroscopy), the features of a single grain are not directly measured. Here, we show our approach to determine these properties by employing large-scale ab-initio modeling techniques. Furthermore, we quantitatively reproduce the observed values of the whole microstructure, basing our model-grain compositions on the X-ray diffraction patterns, thus substantiating the utility of this procedure in the design of novel alloys.
We acknowledged the financial support by the Czech Science Foundation through grant No. 20-18392S as well as the Czech MŠMT via project e-INFRA CZ (ID:90140).
Primary authors
Andrzej Piotr Kądzielawa
(IT4Innovations, VŠB-TUO)
Jakub Veverka
(Institute of Plasma Physics, The Czech Academy of Sciences, Czechia; Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Czechia)
František Lukáč
(Institute of Plasma Physics, The Czech Academy of Sciences, Czechia; Faculty of Mathematics and Physics, Charles University, Czechia)
Martin Koller
(Institute of Thermomechanics, The Czech Academy of Sciences, Czechia)
Zdeněk Chlup
(Institute of Physics of Materials, The Czech Academy of Sciences, Czechia)
Hynek Hadraba
(Institute of Physics of Materials, The Czech Academy of Sciences, Czechia)
Miroslav Karlík
(Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Czechia; Faculty of Mathematics and Physics, Charles University, Czechia)
Dominik Legut
(IT4I)
Jiřina Vontorová
(Faculty of Materials Science and Technology, VŠB - Technical University of Ostrava, Czechia)
Tomáš Chráska
(Institute of Plasma Physics, The Czech Academy of Sciences, Czechia)
Monika Vilémová
(Institute of Plasma Physics, The Czech Academy of Sciences, Czechia)
