David Holec

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Research output

  1. 2022
  2. Published

    Data-driven design guidelines for ceramic superlattices with enhanced fracture resistance

    Koutná, N., Holec, D., Brenner, A. & Mayrhofer, P. H., 2022.

    Research output: Contribution to conference › Poster › Research

  3. Published

    Effect of Solute Ta on Grain Refinement of Al-7Si-0.3Mg Based Alloys

    Spacil, I., Holec, D., Schumacher, P. & Li, J., 2022, Semi-Solid of Alloys and Composites XVI - Selected peer-reviewed full text papers from the 16th International Conference on Semi-Solid Processing of Alloys and Composites, S2P 2021. Li, J. & Rassili, A. (eds.). Trans Tech Publications, p. 54-64 11 p. (Solid State Phenomena; vol. 327 SSP).

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

  4. Published

    Polycrystal diffraction elastic constants of advanced γ-TiAl based sheets

    Obersteiner, D., Staron, P., Maawad, E., Ambig, A., Hatzenbichler, L., Holec, D. & Spörk-Erdely, P., 2022.

    Research output: Contribution to conference › Poster › Research

  5. 2021
  6. Published

    Structural stability and mechanical properties of TiAl+Mo alloys: A comprehensive ab initio study

    Abdoshahi, N., Dehghani, M., Hatzenbichler, L., Spörk-Erdely, P., Ruban, A. V., Musi, M., Mayer, S., Spitaler, J. & Holec, D., Dec 2021, In: Acta materialia. 221.2021, December, 14 p., 117427.

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

  7. Published

    Enhanced thermal stability of (Ti,Al)N coatings by oxygen incorporation

    Holzapfel, D. M., Music, D., Hans, M., Wolff-Goodrich, S., Holec, D., Bogdanovski, D., Arndt, M., Eriksson, A. O., Yalamanchili, K., Primetzhofer, D., Liebscher, C. & Schneider, J. M., 1 Oct 2021, In: Acta materialia. 218.2021, 1 October, 13 p., 117204.

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

  8. Published

    Mechanical properties of CrN-based superlattices: Impact of magnetism

    Löfler, L., Hahn, R., Mayrhofer, P. H., Bartosik, M. & Holec, D., 1 Oct 2021, In: Acta materialia. 218.2021, 1 October, 13 p., 117095.

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

  9. Published

    Pressure- and temperature-dependent diffusion from first-principles: A case study of V and Ti in a TiN matrix

    Nayak, G. K., Popov, M. N. & Holec, D., 25 Sept 2021, In: Surface & coatings technology. 422.2021, 25 September, 10 p., 127491.

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

  10. Published

    Electrons meet alloy development: A γ-TiAl-based alloy showcase

    Holec, D., Abdoshahi, N., Gehringer, D., Hatzenbichler, L., Sakic, A. & Clemens, H., 18 Sept 2021, In: Advanced engineering materials. 24.2022, 14 p., 2100977.

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

  11. Published

    Correlating point defects with mechanical properties in nanocrystalline TiN thin films

    Zhang, Z., Ghasemi, A., Koutná, N., Xu, Z., Grünstäudl, T., Song, K., Holec, D., He, Y., Mayrhofer, P. H. & Bartosik, M., Sept 2021, In: Materials and Design. 207.2021, September, p. 1-10 109844.

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

  12. Published

    Atomic insights on intermixing of nanoscale nitride multilayer triggered by nanoindentation

    Chen, Z., Zheng, Y. H., Löfler, L., Bartosik, M., Nayak, G. K., Renk, O., Holec, D., Mayrhofer, P. H. & Zhang, Z., 1 Aug 2021, In: Acta materialia. 214, 1 August, 11 p., 117004.

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

  13. Published

    Surface stress of gold nanoparticles revisited

    Holec, D., Löfler, L., Zickler, G., Vollath, D. & Fischer, F.-D., 1 Aug 2021, In: International journal of solids and structures. 224.2021, 1 August, p. 1-13 13 p., 111044.

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

  14. Published

    Enhanced fracture toughness in ceramic superlattice thin films: On the role of coherency stresses and misfit dislocations

    Wagner, A., Holec, D., Mayrhofer, P. H. & Bartosik, M., Apr 2021, In: Materials and Design. 2021, 202, 10 p., 109517.

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

  15. Published

    Erratum: Unexpected softness of bilayer graphene and softening of A-A stacked graphene layers [Phys. Rev. B 101, 125421 (2020)]

    Sun, Y. W., Holec, D., Gehringer, D., Fenwick, O., Dunstan, D. J. & Humphreys, C. J., 12 Mar 2021, In: Physical review : B, Condensed matter and materials physics. 103.2021, 11, p. 119901-1 - 119901-3 3 p., 119901.

    Research output: Contribution to journal › Comment/debate › peer-review

  16. Published

    Real-time atomic-resolution observation of coherent twin boundary migration in CrN

    Chen, Z., Zheng, Y. H., Löfler, L., Bartosik, M., Sheng, H., Gammer, C., Holec, D. & Zhang, Z., 11 Feb 2021, In: Acta materialia. 208.2021, 15 April, 13 p., 116732.

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

  17. Published

    The MoN–TaN system: Role of vacancies in phase stability and mechanical properties

    Klimashin, F., Lobmaier, L., Koutná, N., Holec, D. & Mayerhofer, P. H., 9 Feb 2021, In: Materials and Design. 202.2021, April, 12 p., 109568.

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

  18. E-pub ahead of print

    High-throughput first-principles search for ceramic superlattices with improved ductility and fracture resistance

    Koutná, N., Brenner, A., Holec, D. & Mayrhofer, P. H., 4 Jan 2021, (E-pub ahead of print) In: Acta materialia. 206.2021, March, 10 p., 116615.

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

  19. Published

    Fracture toughness trends of modulus-matched TiN/(Cr,Al)N thin film superlattices

    Buchinger, J., Wagner, A., Chen, Z., Zhang, Z., Holec, D., Mayrhofer, P. H. & Bartosik, M., 1 Jan 2021, In: Acta materialia. 202.2021, 1 January, p. 376-386 11 p.

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

  20. 2020
  21. Published

    Ab initio study of chemical disorder as an effective stabilizing mechanism of bcc-based TiAl(+Mo)

    Abdoshahi, N., Spörk-Erdely, P., Friák, M., Mayer, S., Šob, M. & Holec, D., 2 Oct 2020, In: Physical review materials . 24.020, 10, 14 p., 103604.

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

  22. Published

    Structure, stress, and mechanical properties of Mo-Al-N thin films deposited by dc reactive magnetron cosputtering: Role of point defects

    Angay, F., Löfler, L., Tetard, F., Eyidi, D., Djemia, P., Holec, D. & Abadias, G., 1 Sept 2020, In: Journal of vacuum science & technology / A (JVST). 38.2020, 5, p. ´ 14 p., 053401.

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

  23. Published

    Modelling of short-range ordering kinetics in dilute multicomponent substitutional solid solutions

    Svoboda, J., Holec, D., Popov, M., Zickler, G. & Fischer, F.-D., 2 Aug 2020, In: Philosophical magazine. 100.2020, 15, p. 1942-1961 20 p.

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

  24. Published

    Mapping the mechanical properties in nitride coatings at the nanometer scale

    Zhang, Z., Chen, Z., Holec, D., Liebscher, C., Koutná, N., Bartosik, M., Zheng, Y. H., Dehm, G. & Mayrhofer, P. H., 1 Aug 2020, In: Acta materialia. 194.2020, 1 August, p. 343-353 11 p.

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

  25. Published

    Fracture properties of thin film TiN at elevated temperatures

    Buchinger, J., Löfler, L., Ast, J., Wagner, A., Chen, Z., Michler, J., Zhang, Z., Mayrhofer, P. H., Holec, D. & Bartosik, M., 13 Jun 2020, In: Materials & design. 194.2020, September, p. 1-10 10 p., 108885.

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

  26. Published

    Unravelling local environments in mixed TiO2–SiO2 thin films by XPS and ab initio calculations

    Ondračka, P., Nečas, D., Carette, M., Elisabeth, S., Holec, D., Granier, A., Goullet, A., Zajíčková, L. & Richard-Plouet, M., 30 Apr 2020, In: Applied surface science. 510.2020, 30 April, 11 p., 145056.

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

  27. Published

    Adsorption of H2 on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study

    Popov, M. N., Dengg, T., Gehringer, D. & Holec, D., 1 Apr 2020, In: C – journal of carbon research. 6.2020, 2, 10 p.

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

  28. Published

    Interactions between a H2 Molecule and Carbon Nanostructures: A DFT Study

    Gehringer, D., Dengg, T., Popov, M. N. & Holec, D., 20 Mar 2020, In: C – journal of carbon research. 6.2020, 1, 15 p., 16.

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

  29. Published

    Unexpected softness of bilayer graphene and softening of A-A stacked graphene layers

    Sun, Y., Holec, D., Gehringer, D., Fenwick, O., Dunstan, D. J. & Humphreys, C. J., 20 Mar 2020, In: Physical review : B, Condensed matter and materials physics. 101.2020, 12, 7 p., 125421.

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

  30. Published

    Surface Energy of Au Nanoparticles Depending on Their Size and Shape

    Holec, D., Dumitraschkewitz, P., Vollath, D. & Fischer, F.-D., 8 Mar 2020, In: Nanomaterials. 10.2020, 3, p. 1-15 15 p., 484.

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

  31. Published

    The Effect of Local Arrangement of Excess Mn on Phase Stability in Ni–Mn–Ga Martensite: An Ab Initio Study

    Zelený, M., Heczko, M., Janovec, J., Holec, D., Straka, L. & Heczko, O., 1 Mar 2020, In: Shape Memory and Superelasticity. 6.2020, 1, p. 35-44 10 p.

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

  32. Published

    Erosion and cathodic arc plasma of Nb–Al cathodes: composite versus intermetallic

    Zöhrer, S., Golizadeh Najafabadi, M., Koutná, N., Holec, D., Anders, A. & Franz, R., 20 Feb 2020, In: Plasma sources science & technology. 29.2020, 2, 14 p., 025022.

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

  33. Published

    The effect of chemical composition on the structure , chemistry and mechanical properties of magnetron sputtered W-B-C coatings : Modeling and experiments

    Mizaei, S., Alishahi, M., Souček, P., Ženíšek, J., Holec, D., Koutná, N., Buršíková, V., Stupavská, M., Zábranský, L., Burmeister, F., Blug, B., Czigány, Z., Balázsi, K., Mikšová, R. & Vašina, P., 15 Feb 2020, In: Surface & coatings technology. 383.2020, 15 February, 12 p., 125274.

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

  34. Published

    Chemical bonding effects on the brittle-to-ductile transition in metallic glasses

    Moitzi, F., Şopu, D., Holec, D., Perera, D., Mousseau, N. & Eckert, J., 10 Feb 2020, In: Acta Materialia. 188.2020, 15 April, p. 273-281 9 p.

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

  35. 2019
  36. E-pub ahead of print

    An Ab initio study of magnetism in disordered Fe-Al alloys with thermal antiphase boundaries

    Friák, M., Golian, M., Holec, D., Koutná, N. & Šob, M., 23 Dec 2019, (E-pub ahead of print) In: Nanomaterials. 10.2020, 1, 17 p., 44.

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

  37. E-pub ahead of print

    Impact of V , Hf and Si on oxidation processes in Ti – Al – N : Insights from ab initio molecular dynamics

    Guo, F., Holec, D., Wang, J. & Du, Y., 5 Nov 2019, (E-pub ahead of print) In: Surface & coatings technology. 381.2020, 15 January, 10 p., 125125.

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

  38. Published

    Assessment of ductile character in superhard Ta-C-N thin films

    Glechner, T., Hahn, R., Wojcik, T., Holec, D., Kolozsvari, S., Zaid, H., Kodambaka, S., Mayrhofer, P. H. & Riedl, H., 15 Oct 2019, In: Acta materialia. 179.2019, 15 October, p. 17-25 9 p.

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

  39. Published

    Elasticity of phases in Fe-Al-Ti superalloys: impact of atomic order and anti-phase boundaries

    Friák, M., Bursikova, V., Pizurová, N., Pavlu, J., Jiraskova, Y., Homola, V., Miháliková, I., Slávik, A., Holec, D., Všianská, M., Koutna, N., Fikar, J., D., J., Šob, M. & Neugebauer, J., 1 Jun 2019.

    Research output: Contribution to conference › Poster › Research

  40. E-pub ahead of print

    An ab initio study of vacancies in disordered magnetic systems: A Case Study of Fe-Rich Fe-Al Phases

    Miháliková, I., Friák, M., Koutná, N., Holec, D. & Šob, M., 2 May 2019, (E-pub ahead of print) In: Materials. 12.2019, 9, 16 p., 1430.

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

  41. Published

    Correlating structural and mechanical properties of AlN / TiN superlattice films

    Koutná, N., Rehák, P., Chen, Z., Bartosik, M., Fallmann, M., Cerny, M., Zhang, Z., Friák, M., Šob, M., Mayrhofer, P. H. & Holec, D., 1 May 2019, In: Scripta materialia. 165.2019, May, p. 159-163 5 p.

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

  42. Published

    Thermal Expansion and Other Thermodynamic Properties of α2-Ti3Al and γ-TiAl Intermetallic Phases from First Principles Methods

    Holec, D., Abdoshahi, N., Mayer, S. & Clemens, H., 19 Apr 2019, In: Materials. 12.2019, 8, 11 p.

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

  43. Published

    Experimental Chemistry and Structural Stability of AlNb3 Enabled by Antisite Defects Formation

    Koutná, N., Erdely, P., Zöhrer, S., Franz, R., Du, Y., Liu, S., Mayrhofer, P. H. & Holec, D., 3 Apr 2019, In: Materials. 12.2019, 7, p. 1-11 11 p., 1104.

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

  44. Published

    An ab initio study of thermodynamic and mechanical stability of stoichiometric Fe2CoAl polymorphs

    Friák, M., Oweisová, S., Pavlu, J., Holec, D. & Šob, M., 2019.

    Research output: Contribution to conference › Poster › Research

  45. Published

    Crystallographic orientation dependent maximum layer thickness of cubic AlN in CrN / AlN multilayers

    Chen, Z., Holec, D., Bartosik, M., Mayrhofer, P. H. & Zhang, Z., 2019, In: Acta materialia. 168.2019, 15 April, p. 190-202 13 p.

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

  46. Published

    Oxidation behavior of TiAlN-based coatings

    Guo, F., Holec, D., Wang, J., Chen, L. & Du, Y., 2019.

    Research output: Contribution to conference › Poster › Research

  47. Published

    Structure and surface energies of nanoparticles

    Holec, D., Fischer, F.-D. & Vollath, D., 2019.

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

  48. 2018
  49. Published

    Impact of Nano-Scale distribution of atoms on electronic and magnetic properties of phases in Fe-Al nanocomposites: An ab initio study

    Mihalikova, I., Friák, M., Jiraskova, Y., Holec, D., Koutná, N. & Šob, M., 16 Dec 2018, In: Nanomaterials. 8.2018, 12, p. 1-15 15 p.

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

  50. E-pub ahead of print

    Quantum-mechanical study of nanocomposites with low and ultra-low interface energies

    Friák, M., Holec, D. & Šob, M., 15 Dec 2018, (E-pub ahead of print) In: Nanomaterials. 8.2018, 12, 17 p.

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

  51. Published

    An Ab Initio Study of Pressure-Induced Reversal of Elastically Stiff and Soft Directions in YN and ScN and Its Effect in Nanocomposites Containing These Nitrides

    Friák, M., Kroupa, P., Holec, D. & Šob, M., 14 Dec 2018, In: Nanomaterials. 8.2018, 12, 14 p., 1049.

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

  52. Published

    Tuning structure and mechanical properties of Ta-C coatings by N-alloying and vacancy population

    Glechner, T., Mayrhofer, P. H., Holec, D., Fritze, S., Lewin, E., Paneta, V., Primetzhofer, D., Kolozsvári, S. & Riedl, H., 5 Dec 2018, In: Scientific reports (London : Nature Publishing Group). 8.2018, 11 p., 17669.

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

  53. Published

    Structural evolution of oxygen on the surface of TiAlN: Ab initio molecular dynamics simulations

    Guo, F., Wang, J., Du, Y., Holec, D., Ou, P., Zhou, H., Chen, L. & Kong, Y., 22 Nov 2018, In: Applied surface science. 470.2019, March, p. 520-525 6 p.

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

  54. Published

    An ab initio study of connections between tensorial elastic properties and chemical bonds in ∑5(210) grain boundaries in Ni3Si

    Friák, M., Zeleny, M., Všianská, M., Holec, D. & Šob, M., 13 Nov 2018, In: Materials letters. 11.2018, 11, 17 p., 2263.

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

  55. Published

    Self-structuring in Zr1−xAlxN films as a function of composition and growth temperature

    Ghafoor, N., Petrov, I., Holec, D., Greczynski, G., Palisaitis, J., Persson, P. O. Å., Hultman, L. & Birch, J., 5 Nov 2018, In: Scientific reports (London : Nature Publishing Group). 8.2018, 17 p., 16327.

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

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