Publications of the Atomistic Modelling GroupThis list consists only of publications since the formation of the group "Atomistic Modelling of Material Interfaces". If you click on an author's name, you will be directed to the authors complete MPS publication list.

Publications of David Holec

Journal Article (12)

1.
Journal Article
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)
2.
Journal Article
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)
3.
Journal Article
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)
4.
Journal Article
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)
5.
Journal Article
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)
6.
Journal Article
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)
7.
Journal Article
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)
8.
Journal Article
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)
9.
Journal Article
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)
10.
Journal Article
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)
11.
Journal Article
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)
12.
Journal Article
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)

Conference Paper (1)

13.
Conference Paper
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)

Talk (1)

14.
Talk
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)
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