Publication Records

FRIÁK, Martin, Holec DAVID, Yvonna JIRÁSKOVÁ, Martin PALM, Frank STEIN, Dušan JANIČKOVIČ, Naďa PIZŮROVÁ, Petr DYMÁČEK, Ferdinand DOBEŠ, Petr ŠESTÁK, Jan FIKAR, Jiří ŠREMR, Luděk NECHVÁTAL, Sabina OWEISOVÁ, Vojtěch HOMOLA, Andrii TITOV, Anton SLÁVIK, Ivana MIHÁLIKOVÁ, Jana PAVLŮ, Vilma BURŠÍKOVÁ, Joerg NEUGEBAUER, Damien BOUTUR, Yuri LAPUSTA and Mojmír ŠOB. Theory-guided design of novel Fe-Al-based superalloys. In M. Heilmaier, M. Krüger, S. Mayer, M. Palm, F. Stein. Proceedings Intermetallics 2017. 2017th ed. Jena, Germany: Conventus Congressmanagement & Marketing GmbH, 2017, p. 123-125. ISBN 978-3-9816508-9-1.

LACAZE, Jacques, Pavel BROŽ, Gabriele CACCIAMANI, Jozefien DE KEYZER, Nathalie DUPIN, Suzana Gomez FRIES, Bo SUNDMAN and Andy WATSON. A Report on the Achievements and Perspectives of COST Action 535 THALU; The THermodynamics of Alloyed ALUminides. In CALPHAD XXXVII. Helsinki: Helsinki University of Technology, 2008, p. 103-103.

KROUPA, Aleš, Dominik LEGUT and Jana PAVLŮ. The Calphad and Ab-Initio modelling of intermetallic phases in ternary systems. In CALPHAD XXXVII. 2008.

HOUSEROVÁ, Jana. Si-containing Laves phases. In Pracovní setkání fyzikálních chemiků a elektrochemiků /7./. 1st ed. Brno: Masarykova univerzita, 2007, p. 65-66. ISBN 978-80-21042353.

HOUSEROVÁ, Jana and Mojmír ŠOB. Ab initio calculations of the Cr-based Laves phases. In DFTEM 2006 Conference. 1st ed. Vienna: Editio Amici -Physicae et chimicae solidorum amici, 2006, p. 160. ISBN 3-902548-00-2.

VŘEŠŤÁL, Jan, Aleš KROUPA and Mojmír ŠOB. Application of ab initio electronic structure calculations for prediction of phase equilibria in superaustenitic steels. Computational Materials Science. London: Elsevier, 2006, vol. 38, No 12, p. 298-302.

HOUSEROVÁ, Jana and Mojmír ŠOB. Electronic structure analysis of Laves phases containing chromium. In Pracovní setkání fyzikálních chemiků a elektrochemiků /6./. 1st ed. Brno: Masarykova univerzita, 2006, p. 48-49. ISBN 80-210-3943-4.

HOUSEROVÁ, Jana and Mojmír ŠOB. Ab initio study of C14 Laves phase in Fe-based systems. In Sborník abstrakt ISPMA-10. 1st ed. Praha: MFF UK Praha, 2005, p. 18-18.

HOUSEROVÁ, Jana and Mojmír ŠOB. Ab initio study of Laves phases in Fe-Cr, Fe-Mo and Fe-Ta systems. In Pracovní setkání fyzikálních chemiků a elektrochemiků /5./. 1,. Brno: Masarykova univerzita v Brně, 2005, p. 36-37. ISBN 80-210-363.

VŘEŠŤÁL, Jan, Aleš KROUPA and Mojmír ŠOB. Application of Ab initio Electronic Structure Calculations in Prediction of Structure of Superaustenitic Steels. In Sborník abstrakt 4 - International Alloy Conference. 1st ed. Brooklyn: Engineering Conferences International, 2005, p. 30-30.

HOUSEROVÁ, Jana and Mojmír ŠOB. Energetics of complex metallic phases from ab initio calculations. In PSI-k 2005 - book of abstracts. 1st ed. Schwäbisch Gmünd (Německo), 2005, p. 495-495.

CHVÁTALOVÁ, Květuše, Jan VŘEŠŤÁL, Jana HOUSEROVÁ and Mojmír ŠOB. First principles calculations of energetics of sigma phase formation and thermodynamic modelling in Cr-Fe-W system. In Book of abstracts of European congress on advanced materials and processes - EUROMAT. 1st ed. Praha, 2005.

FIALA, Radovan, Markéta MUNZAROVÁ and Vladimír SKLENÁŘ. Experiments for Correlating Quaternary Carbons in RNA Bases. Journal of Biomolecular NMR. Dordrecht: Kluwer/Escom, 2004, vol. 29, No 4, p. 477-490. ISSN 0925-2738.

GELLE, Alain, Markéta MUNZAROVÁ, Marie-Bernadette LEPETIT and Francesc ILLAS. Role of dynamical polarization of ligand-to-metal charge transfer excitations in ab initio determination of effective exchange parameters. Physical Review B. USA: The American Physical Society, 2003, vol. 68, No 12, p. 125103/1-7, 7 pp. ISSN 0163-1829.

HOUSEROVÁ, Jana, Martin FRIÁK, Mojmír ŠOB and Jan VŘEŠŤÁL. Ab initio calculations of lattice stability of sigma-phase and phase diagram in the Cr-Fe system. Computational Materials Science. Londýn: Elsevier, 2002, vol. 25, No 4, p. 562-569. ISSN 0927-0256.

HOUSEROVÁ, Jana, Martin FRIÁK, Mojmír ŠOB and Jan VŘEŠŤÁL. Ab initio calculations of lattice stability of sigma-phase and phase diagram in the Cr-Fe system. Computational Materials Science. Oxford: Elsevier Science, 2002, vol. 2002, No 4, p. 562-569. ISSN 0927-0256.

VŘEŠŤÁL, Jan and Mojmír ŠOB. Ab initio výpočty stability fází a konstrukce fázového diagramu (Ab initio calculations of stability of phases and phase diagram construction). Chemické listy. Praha: Česká společnost chemická, 2002, vol. 96, No 6, p. 437. ISSN 0009-2770.

FRIÁK, Martin, Mojmír ŠOB and Václav VITEK. Ab initio calculation of phase boundaries in iron along the bcc-fcc transformation path and magnetism of iron overlayers. Physical Review B. USA: American Physical Society, 2001, vol. 2001, No 63, p. 052405-1, 4 pp. ISSN 0163-1829.

ŠOB, Mojmír, Martin FRIÁK, Ligen G. WANG and Vaclav VITEK. Ab initio calculations of theoretical tensile strength in metals and intermetalics. In Computational Modeling of Materials, Minerals, and Metals Processing. Warrendale, PA, USA: M. Cross, J.W. Evans, C. Bailey, 2001, p. 715-724. ISBN 0-87339-513-1.

FRIÁK, Martin, Mojmír ŠOB and Václav VITEK. Ab initio simulation of a tensile test in MoSi2 and WSi2. In High-Temperature Intermetallic Alloys IX,. 2001st ed. Warrendale, PA, USA: J. H. Schneibel, K. J. Hemker, R.D. Noebe, 2001, p. N.4.8.1, 6 pp. Mater. Res. Soc. Symp. Proc. vol. 646. ISBN 1-55899-556-0.

VŘEŠŤÁL, Jan, Jana HOUSEROVÁ, Martin FRIÁK and Mojmír ŠOB. Application of first-principles calculations in phase diagram calculations. In Thermodynamics of Materials. Brno: Masaryk University, 2001, p. 61-65. Proc. of the Seminar on Thermodynamics of Material. ISBN 80-210-2702-9.

FRIÁK, Martin, Mojmír ŠOB and Vaclav VITEK. Structure and magnetism of iron and iron overlayers from the first principles. In Proc. 3rd Int. Conf. on Materials Structure & Micromechanics of Fracture. Brno, Česká republika: P. Sandera, 2001, p. 151-159. VUTIUM, Brno University of Technology, Brno 2001. ISBN 80-214-1892-3.

LEGUT, Dominik, Martin FRIÁK and Mojmír ŠOB. The effect of spin-orbit coupling on energetics of tungsten and lead along the trigonal displacive phase transformation path. In Proceedings of the International Conference Juniormat'01. Brno, Česká republika: Institute of Materials Engineering, Brno University of Technology, Brno 2001, 2001, p. 198-201. ISBN 80-214-1885-0.