David Holec

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Research output

  1. 2018
  2. E-pub ahead of print

    Origin of the Low Magnetic Moment in Fe₂AlTi: An Ab Initio Study

    Friák, M., Slávik, A., Miháliková, I., Holec, D., Všianská, M., Šob, M., Palm, M. & Neugebauer, J., 14 Sept 2018, (E-pub ahead of print) In: Materials. 11.2018, 9, 10 p., 1732.

    Research output: Contribution to journal › Article › Research › peer-review

  3. Published

    An ab initio study of thermodynamic and mechanical stability of heusler-based Fe2AlCo polymorphs

    Friák, M., Oweisová, S., Pavlu, J., Holec, D. & Šob, M., 27 Aug 2018, In: Materials. 11.2018, 9, 12 p., 1543.

    Research output: Contribution to journal › Article › Research › peer-review

  4. E-pub ahead of print

    Theory-guided metal-decoration of nanoporous carbon for hydrogen storage applications

    Holec, D., Kostoglou, N., Tampaxis, C., Babic, B., Mitterer, C. & Rebholz, C., 26 Jul 2018, (E-pub ahead of print) In: Surface & coatings technology. 351.2018, 15 October, p. 42-49 8 p.

    Research output: Contribution to journal › Article › Research › peer-review

  5. Published

    Ab initio inspired design of ternary boride thin films

    Moraes, V., Riedl, H., Fuger, C., Polcik, P., Bolvardi, H., Holec, D. & Mayrhofer, P. H., 18 Jun 2018, In: Scientific reports (London : Nature Publishing Group). 8.2018, p. 1-9 9 p., 9288.

    Research output: Contribution to journal › Article › Research › peer-review

  6. Published

    Graphite under compression: shift of layer breathing and shear modes frequencies with interlayer spacing

    Sun, Y. W., Holec, D., Xu, Y. & Dunstan, D. J., 3 Apr 2018, In: Journal of Physics Communications. 2018, 2, p. 2-7 6 p., 045004.

    Research output: Contribution to journal › Article › Research › peer-review

  7. Published

    Influence of carbon deficiency on phase formation and thermal stability of super-hard TaCy thin films

    Riedl, H., Glechner, T., Wojcik, T., Koutná, N., Kolozsvári, S., Paneta, V., Holec, D., Primetzhofer, D. & Mayrhofer, P. H., 9 Mar 2018, In: Scripta materialia. 149.2018, May, p. 150-154 5 p.

    Research output: Contribution to journal › Article › Research › peer-review

  8. E-pub ahead of print

    Pathways of phase transformation in β-phase-stabilized σ/γ-TiAl alloys subjected to two-step heat treatments

    Klein, T., Holec, D., Clemens, H. & Mayer, S., 9 Mar 2018, (E-pub ahead of print) In: Scripta materialia. 149.2018, May, p. 70-74 5 p.

    Research output: Contribution to journal › Article › Research › peer-review

  9. Published

    An ab initio study of mechanical and dynamical stability of MoSi2

    Friák, M., Holec, D. & Šob, M., 19 Feb 2018, In: Journal of alloys and compounds. 746.2018, 25 May, p. 720-728 9 p.

    Research output: Contribution to journal › Article › Research › peer-review

  10. Published

    Stability and elasticity of metastable solid solutiions and superlattices in the MoN-TaN system: First-principles calculations

    Koutná, N., Holec, D., Friák, M., Mayrhofer, P. H. & Šob, M., 14 Feb 2018, In: Materials and Design. 144.2018, April, p. 310-322 13 p.

    Research output: Contribution to journal › Article › Research › peer-review

  11. Published

    Combined theoretical and experimental study of Fe-Al-Ti superalloys

    Friák, M., Miháliková, I., Slávik, A., Homola, V., Bursikova, V., Pizurová, N., Pavlu, J., Dymacek, P., Dobes, F., Holec, D., Koutná, N., Jiraskova, Y. & Šob, M., 2018.

    Research output: Contribution to conference › Poster › Research

  12. Published

    Elasticity of interfaces: a multi-method approach

    Holec, D., Koutná, N., Vsianská, M., Friák, M., Mayrhofer, P. H. & Šob, M., 2018.

    Research output: Contribution to conference › Poster › Research

  13. Published

    Mechanical properties of CrN/TiN supperlattices from ab inito calculations

    Löfler, L., Bartosik, M., Mayrhofer, P. H. & Holec, D., 2018.

    Research output: Contribution to conference › Poster › Research

  14. Published

    Multi method study of the stabilization of alumina on Al-Cr droplets

    Löfler, L., Holec, D. & Mayrhofer, P. H., 2018.

    Research output: Contribution to conference › Poster › Research

  15. Published

    Multi-Scale Microstructural Characterization: The Role of Classic and High-Resolution Metallography in the Developement of Modern High-Performance Materials

    Schnitzer, R., Hofer, C., Mayer, S., Panzenböck, M., Holec, D. & Clemens, H., 2018, In: Practical metallography = Praktische Metallographie. 55.2018, 9, p. 584-602 19 p.

    Research output: Contribution to journal › Article › Research › peer-review

  16. Published

    Ordering and diffusionless transformations in TiAl

    Abdoshahi, N. & Holec, D., 2018.

    Research output: Contribution to conference › Poster › Research

  17. Published

    Skalenübergreifende Gefügechatakterisierung - Die Rolle der klassischen und hochauflösenden Metallographie bei der Entwicklung moderner Hochleistungswerkstoffe

    Schnitzer, R., Hofer, C., Mayer, S., Panzenböck, M., Holec, D. & Clemens, H., 2018, Praktische Metallographie Sonderband: Fortschritte in der Metallographie. 1 ed. Vol. 52. p. 23-34

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  18. Published

    Surface energy of nanoparticles - influence of particle size and structures

    Vollath, D., Fischer, F.-D. & Holec, D., 2018, In: Beilstein journal of nanotechnology (Online-Ressource). 2018, 9, p. 2265-2276 12 p.

    Research output: Contribution to journal › Article › Research › peer-review

  19. 2017
  20. Published

    Impact of Alloying on Stacking Fault Energies in γ-TiAl

    Dumitraschkewitz, P., Clemens, H., Mayer, S. & Holec, D., 17 Nov 2017, In: Applied Sciences : open access journal. 7.2017, 11, 11 p., 1193.

    Research output: Contribution to journal › Article › Research › peer-review

  21. Published

    Au55, a stable glassy cluster: results of ab initio calculations

    Vollath, D., Holec, D. & Fischer, F.-D., 25 Oct 2017, In: Beilstein journal of nanotechnology . 8.2017, p. 2221-2229 9 p.

    Research output: Contribution to journal › Article › Research › peer-review

  22. E-pub ahead of print

    Interface-induced electronic structure toughening of nitride superlatices

    Rehák, P., Cerny, M. & Holec, D., 25 Sept 2017, (E-pub ahead of print) In: Surface & coatings technology. 325.2017, September, p. 410-416 7 p.

    Research output: Contribution to journal › Article › Research › peer-review

  23. E-pub ahead of print

    On grain boundary segregation in molybdenum materials

    Leitner, K., Felfer, P. J., Holec, D., Cairney, J. M., Knabl, W., Lorich, A., Clemens, H. & Primig, S., 11 Sept 2017, (E-pub ahead of print) In: Materials and Design. 135.2017, 5 December, p. 204-212 9 p.

    Research output: Contribution to journal › Article › Research › peer-review

  24. Published

    Magnetic properties of the CrMnFeCoNi high-entropy alloy

    Schneeweiss, O., Friák, M., Dudová, M., Holec, D., Šob, M., Kriegner, D., Holy, V., Beran, P., George, E. P., Neugebauer, J. & Dlouhy, A., 28 Jul 2017, In: Physical review : B, Condensed matter and materials physics. 96.2017, 15 May, 13 p., 014437.

    Research output: Contribution to journal › Article › Research › peer-review

  25. Published

    Optical properties of TixSi1−xO2 solid solutions

    Ondračka, P., Holec, D., Nečas, D., Kedroňová, E., Elisabeth, S., Goullet, A. & Zajickkova, L., 30 May 2017, In: Physical review : B, Condensed matter and materials physics. 95.2017, 19, 10 p., 195163.

    Research output: Contribution to journal › Article › Research › peer-review

  26. E-pub ahead of print

    Thermal stability and oxidation resistance of sputtered Ti-Al-Cr-N hard coatings

    Xu, Y. X., Riedl, H., Holec, D., Chen, L., Du, Y. & Mayrhofer, P. H., 20 May 2017, (E-pub ahead of print) In: Surface & coatings technology. 324.2017, 15 September, p. 48-56 9 p.

    Research output: Contribution to journal › Article › Research › peer-review

  27. Published

    Tensorial elastic properties and stability of interface states associated with 5(210) grain boundaries in (Al,Si)

    Friák, M., Všianská, M., Holec, D., Zelený, M. & Šob, M., 2 May 2017, In: Science and Technology of Advanced Materials. 18.2017, 1, p. 273-282 10 p.

    Research output: Contribution to journal › Article › Research › peer-review

  28. E-pub ahead of print

    Structure and surface energy of Au55 nanoparticles: An ab initio study

    Holec, D., Fischer, F.-D. & Vollath, D., 6 Apr 2017, (E-pub ahead of print) In: Computational materials science. 134.2017, 15 June, p. 137-144 8 p.

    Research output: Contribution to journal › Article › Research › peer-review

  29. E-pub ahead of print

    Peculiarity of self-assembled cubic nanolamellae in the TiN/AlN system: Epitaxial self-stabilization by element deficiency/excess

    Zalesak, J., Holec, D., Matko, I., Petrenec, M., Sartory, B., Koutna, N., Daniel, R., Pitonak, R. & Keckes, J., 5 Apr 2017, (E-pub ahead of print) In: Acta materialia. 131.2017, 1 June, p. 391-399 9 p.

    Research output: Contribution to journal › Article › Research › peer-review

  30. Published

    Superlattice-induced oscillations of interplanar distances and strain effects in the CrN/AlN system

    Zhang, Z., Gu, X., Holec, D., Bartosik, M., Mayrhofer, P. H. & Duan, H., 5 Apr 2017, In: Physical review : B, Condensed matter and materials physics. 95.2017, 15, 7 p., 155305.

    Research output: Contribution to journal › Article › Research › peer-review

  31. E-pub ahead of print

    Intermetallic β-Solidifying γ-TiAl Based Alloys − From Fundamental Research to Application

    Mayer, S., Erdely, P., Fischer, F.-D., Holec, D., Kastenhuber, M., Klein, T. & Clemens, H., 23 Feb 2017, (E-pub ahead of print) In: Advanced engineering materials. 19.2017, 4, 27 p., 1600735.

    Research output: Contribution to journal › Article › Research › peer-review

  32. E-pub ahead of print

    Impact of Mo on the ωo phase in β-solidifying TiAl alloys: An experimental and computational approach

    Klein, T., Schachermayer, M., Holec, D., Rashkova, B., Clemens, H. & Mayer, S., 1 Feb 2017, (E-pub ahead of print) In: Intermetallics. 85.2017, June, p. 26-33 8 p.

    Research output: Contribution to journal › Article › Research › peer-review

  33. Published

    Atomistic modelling-based design of novel materials

    Holec, D., Zhou, L., Riedl, H., Koller, C., Mayrhofer, P. H., Friák, M., Šob, M., Körmann, F., Neugebauer, J., Music, D., Hartmann, M. A. & Fischer, F.-D., 17 Jan 2017, In: Advanced engineering materials. 19.2017, 4, 19 p., 1600688.

    Research output: Contribution to journal › Article › Research › peer-review

  34. Published

    Systematic ab initio investigation of the elastic modulus in quaternary transition metal nitride alloys and their coherent multilayers

    Wang, F., Holec, D., Odén, M., Mücklich, F., Abrikosov, I. A. & Tasnádi, F., 10 Jan 2017, In: Acta materialia. 127.2017, 1 April, p. 124-132 9 p.

    Research output: Contribution to journal › Article › Research › peer-review

  35. Published

    First Principles Study of Water-Based Self-Assembled Nanobearing Effect in CrN/TiN Multilayer Coatings

    Holec, D., Paulitsch, J. & Mayrhofer, P. H., 2017, Solid State Phenomena. 258 ed. p. 373-378 6 p. (Solid State Phenomena).

    Research output: Chapter in Book/Report/Conference proceeding › Chapter › Research

  36. Published

    Mechaniical and structural properties of CrN/AlN superlattices

    Holec, D., Friák, M., Bartosik, M. & Mayrhofer, P. H., 2017.

    Research output: Contribution to conference › Poster › Research › peer-review

  37. Published

    Non-reactively sputtered ultra-high temperature Hf-C and Ta-C coatings

    Lasfargues, H., Glechner, T., Koller, C., Paneta, V., Primetzhofer, D., Kolozsvari, S., Holec, D., Riedl, H. & Mayrhofer, P. H., 2017, In: Surface & coatings technology. 309.2017, 15 January, p. 436-444 9 p.

    Research output: Contribution to journal › Article › Research › peer-review

  38. Published

    Optimised structural models of solid slotions for tensorial properties

    Nöger, D. & Holec, D., 2017.

    Research output: Contribution to conference › Poster › Research

  39. Published

    Quantum-mechanical study of tensorial elastic and high-temperature thermodynamic properties of grain boundary states in superalloy-phase Ni3Al

    Friák, M., Vsianska, M., Holec, D. & Šob, M., 2017, In: IOP Conference Series: Materials Science and Engineering. 219.2017, 11 p., 012019.

    Research output: Contribution to journal › Article › Research › peer-review

  40. Published

    Thermal expansion of Ti-Al-N and Cr-Al-N coatings

    Bartosik, M., Holec, D., Apel, D., Klaus, M., Genzel, C., Keckes, J., Arndt, M., Polcik, P., Koller, C. M. & Mayrhofer, P. H., 2017, In: Scripta materialia. 127.2017, 15 January, p. 182-185 4 p.

    Research output: Contribution to journal › Article › Research › peer-review

  41. Published

    Vacancy-driven extended stability of cubic metastable Ta-Al-N and Nb-Al-N phases

    Pacher, F., Mayrhofer, P. H. & Holec, D., 2017, In: Surface & coatings technology. 326.2017, 15 October, Part A, p. 37-44 8 p.

    Research output: Contribution to journal › Article › Research › peer-review

  42. 2016
  43. Published

    Atomistic pieces of the Materials Design jigsaw puzzle: From Schrödinger equation to thermal expansion

    Holec, D., 1 Nov 2016.

    Research output: Contribution to conference › Presentation › Research

  44. Published

    Application of first principles methods in developments of novel intermetallic alloys

    Holec, D., 29 Aug 2016.

    Research output: Contribution to conference › Presentation › Research

  45. Published

    Influence of varying nitrogen partial pressures on microstructure, mechanical and optical properties of sputtered TiAlON coatings

    Schalk, N., Simonet Fotso, J., Holec, D., Fian, A., Jakopic, G., Terziyska, V., Daniel, R. & Mitterer, C., 27 Apr 2016.

    Research output: Contribution to conference › Presentation › Research

  46. Published

    Size-dependent surface energies of Au nanoparticles

    Holec, D., Dumitraschkewitz, P., Fischer, F. D. & Vollath, D., 11 Apr 2016, p. 1-13. 13 p.

    Research output: Contribution to conference › Presentation › Research

  47. Published

    Accurate prediction of band gaps and optical properties of HfO2

    Ondracka, P., Holec, D., Necas, D. & Zajickkova, L., 2016, In: Journal of physics / D, Applied physics. 49, p. 395301-1 - 395301-8 8 p.

    Research output: Contribution to journal › Article › Research

  48. Published

    Anisotropic elastic properties and mechanical stability of S5(210) grain-boundary complexions in Ni3Al from ab initio calculations

    Friak, M., Vsianska, M., Holec, D. & Sob, M., 2016.

    Research output: Contribution to conference › Presentation › Research

  49. Published

    Combined experimental and theoretical study of facet-controlled phase separation in supersaturated Au-Ni nanoparticles upon shape equilibration

    Herz, A., Friak, M., Rossberg, D., Hentschel, M., Theska, F., Wang, D., Holec, D., Sob, M., Schneeweiss, O. & Schaaf, P., 2016.

    Research output: Contribution to conference › Presentation › Research

  50. Published

    Compositional trends in grain-boundary elasticity from ab initio calculations: case study of Σ5(210) Ni3(Al,Si)

    Friak, M., Vsianska, M., Holec, D., Zeleny, M. & Sob, M., 2016.

    Research output: Contribution to conference › Poster › Research

  51. Published

    Controlling microstructure, preferred orientation, and mechanical properties of Cr-Al-N by bombardment and alloying with Ta

    Hollerweger, R., Zhou, L., Holec, D., Koller, C., Rachbauer, R., Polcik, P. & Mayrhofer, P. H., 2016, In: Journal of applied physics. 119, p. 1-8 8 p., 119.

    Research output: Contribution to journal › Article › Research

  52. Published

    First principles studies on the impact of point defects on the phase stability of (AlxCr1−x)2O3 solid solutions

    Koller, C., Koutna, N., Ramm, J., Kolozsvari, S., Paulitsch, J., Holec, D. & Mayrhofer, P. H., 2016, In: AIP Advances. 6, p. 025002-2 - 025002-9 9 p.

    Research output: Contribution to journal › Article › Research › peer-review

  53. Published

    Influence of varying nitrogen partial pressures on microstructure, mechanical and optical properties of sputtered TiAlON coatings

    Schalk, N., Simonet Fotso, J., Holec, D., Jakopic, G., Fian, A., Terziyska, V., Daniel, R. & Mitterer, C., 2016, In: Acta materialia. 119, p. 26-34 9 p.

    Research output: Contribution to journal › Article › Research › peer-review

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