Publications of David Holec

Gehringer, D.; Huber, L.; Neugebauer, J.; Holec, D.: Segregation to α₂/γ interfaces in TiAl alloys: A multiscale QM/MM study. Physical Review Materials 7 (6), 063604 (2023)

Li, J.; Zhou, X.; Breen, A. J.; Peng, Z.; Su, J.; Kürnsteiner, P.; Duarte, M. J.; Duarte Correa, M. J.; Lipińska-Chwałek, M.; Wang, H. et al.; Holec, D.; Mayer, J.; Dehm, G.: Elucidation of formation and transformation mechanisms of Ca-rich Laves phase in Mg–Al–Ca–Mn alloys. Journal of Alloys and Compounds 928, 167177 (2022)

Holzapfel, D. M.; Mušić, D.; Hans, M.; Wolff-Goodrich, S.; Holec, D.; Bogdanovski, D.; Arndt, M.; Eriksson, A. O.; Yalamanchili, K.; Primetzhofer, D. et al.; Liebscher, C.; Schneider, J. M.: Enhanced thermal stability of (Ti,Al)N coatings by oxygen incorporation. Acta Materialia 218, 117204 (2021)

Zhang, Z.; Chen, Z.; Holec, D.; Liebscher, C.; Koutná, N.; Bartosik, M.; Zheng, Y.; Dehm, G.; Mayrhofer, P. H.: Mapping the mechanical properties in nitride coatings at the nanometer scale. Acta Materialia 194, pp. 343 - 353 (2020)

Friák, M.; Buršíková, V.; Pizúrová, N.; Pavlů, J.; Jirásková, Y.; Homola, V.; Miháliková, I.; Slávik, A.; Holec, D.; Všianská, M. et al.; Koutná, N.; Fikar, J.; Janičkovič, D.; Šob, M.; Neugebauer, J.: Elasticity of phases in Fe–Al–Ti superalloys: Impact of atomic order and anti-phase boundaries. Crystals 9 (6), 299 (2019)

Friák, M.; Slávik, A.; Miháliková, I.; Holec, D.; Všianská, M.; Šob, M.; Palm, M.; Neugebauer, J.: Origin of the Low Magnetic Moment in Fe₂AlTi: An Ab Initio Study. Materials 11 (9), 1732 (2018)

Bergk, B.; Mühle, U.; Povstugar, I.; Koutná, N.; Holec, D.; Clemens, H. J.; Kieback, B.: Non-equilibrium solid solution of molybdenum and sodium: Atomic scale experimental and first principles studies. Acta Materialia 144, pp. 700 - 706 (2018)

Schneeweiss, O.; Friák, M.; Dudová, M.; Holec, D.; Šob, M.; Kriegner, D.; Holý, V.; Beran, P.; George, E. P.; Neugebauer, J. et al.; Dlouhý, A.: Magnetic properties of the CrMnFeCoNi high-entropy alloy. Physical Review B 96 (1), 014437 (2017)

Holec, D.; Zhou, L.; Riedl, H.; Koller, C. M.; Mayrhofer, P. H.; Friák, M.; Šob, M.; Körmann, F.; Neugebauer, J.; Mušić, D. et al.; Hartmann, M. A.; Fischer, F. D.: Atomistic Modeling-Based Design of Novel Materials. Advanced Engineering Materials 19 (4), 1600688 (2017)

Friák, M.; Tytko, D.; Holec, D.; Choi, P.-P.; Eisenlohr, P.; Raabe, D.; Neugebauer, J.: Synergy of atom-probe structural data and quantum-mechanical calculations in a theory-guided design of extreme-stiffness superlattices containing metastable phases. New Journal of Physics 17 (9), 093004 (2015)

Holec, D.; Tasnádi, F.; Wagner, P.; Friák, M.; Neugebauer, J.; Mayrhofer, P. H.; Kečkéš, J.; Kečkéš, J.: Macroscopic elastic properties of textured ZrN–AlN polycrystalline aggregates. Physical Review B 90 (18), 184106 (2014)

Zhou, L.; Körmann, F.; Holec, D.; Bartosik, M.; Grabowski, B.; Neugebauer, J.; Mayrhofer, P. H.: Structural stability and thermodynamics of CrN magnetic phases from ab initio calculations and experiment. Physical Review B 90 (18), 184102 (2014)

Holec, D.; Friák, M.; Dlouhý, A.; Neugebauer, J.: Ab initio study of point defects in NiTi-based alloys. Physical Review B 89 (1), 014110 (2014)

Friák, M.; Holec, D.; Jirásková, Y.; Palm, M.; Stein, F.; Janičkovič, D.; Pizúrová, N.; Dymáček, P.; Dobeš, F.; Šesták, P. et al.; Fikar, J.; Šremr, J.; Nechvátal, L.; Oweisová, S.; Homola, V.; Titov, A.; Slávik, A.; Miháliková, I.; Pavlů, J.; Buršíková, V.; Neugebauer, J.; Boutur, D.; Lapusta, Y.; Šob, M.: Theory-guided Design of Novel Fe–Al-based Superalloys. In: Proc. Intermetallics 2017, pp. 123 - 125 (Eds. Heilmaier, M.; Krüger, M.; Mayer, S.; Palm, M.; Stein, F.). Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany, October 02, 2017 - October 06, 2017. Conventus Congressmanagement & Marketing GmbH, Jena, Germany (2017)

Neugebauer, J.; Huber, L.; Holec, D.; Gehringer, D.; Hickel, T.: Defect Phase Diagrams: Concepts, Computational Approaches and Materials Design Strategies. MMM10 Conference, Baltimore, MD, USA (2022)

Friák, M.; Holec, D.; Jirásková, Y.; Palm, M.; Stein, F.; Janičkovič, D.; Pizúrová, N.; Dymáček, P.; Dobeš, F.; Šesták, P. et al.; Fikar, J.; Šremr, J.; Boutur, D.; Nechvátal, L.; Pavlů, J.; Oweisová, S.; Homola, V.; Titov, A.; Miháliková, I.; Slávik, A.; Buršíková, V.; Neugebauer, J.; Šob, M.: Theory-guided Design of Novel Fe–Al-based Superalloys. Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany (2017)