David Holec

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Research output

  1. 2016
  2. Published

    Interface induced electronic structure toughening of nitride bilayers and superlattices

    Holec, D., Rehák, P. & Cerny, M., 2016.

    Research output: Contribution to conference › Presentation › Research

  3. Published

    Microstructure, mechanical and optical properties of TiAlON coatings sputter-deposited with varying oxygen partial pressures

    Schalk, N., Simonet Fotso, J., Holec, D., Fian, A., Jakopic, G., Terziyska, V., Daniel, R. & Mitterer, C., 2016, In: Journal of physics / D, Applied physics. 49, p. 1-9 9 p.

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

  4. Published

    Multi-descriptive scale-bridging modelingof hierarchical bio-composites

    Friak, M., Pfanner, G., Fikar, J., Petrov, M., Nikolov, S., Holec, D., Fabritius, H.-O., Raabe, D., Sob, M., Ziegler, A. & Neugebauer, J., 2016.

    Research output: Contribution to conference › Presentation › Research

  5. Published

    Multiscale approach for predicting mechanical properties of interfaces

    Holec, D., Friak, M., Vsianska, M., Tytko, D., Raabe, D., Sob, M., Neugebauer, H. & Neugebauer, J., 2016.

    Research output: Contribution to conference › Presentation › Research

  6. Published

    On the chemistry of the carbides in a molydbenum base Mo-Hf-C alloy produced by powder metallurgy

    Lang, D., Pöhl, C., Holec, D., Schatte, J., Povoden-Karadeniz, E., Knabl, W., Clemens, H. & Primig, S., 2016, In: Journal of alloys and compounds. 654, p. 445-454

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

  7. Published

    Point defects stabilise cubic Mo-N and Ta-N

    Koutna, N., Holec, D., Svoboda, O., Klimashin, F. & Mayrhofer, P. H., 2016.

    Research output: Contribution to conference › Poster › Research

  8. Published

    Point defects stabilise cubic Mo-N and Ta-N

    Koutna, N., Holec, D., Svoboda, O., Klimashin, F. & Mayrhofer, P. H., 2016, In: Journal of physics / D, Applied physics. p. 375303-1 - 375303-8 8 p.

    Research output: Contribution to journal › Article › Research

  9. Published

    Predicting an alloying strategy for improving fracture toughness of C15 NbCr2 Laves phase: A first-principles study

    Long, Q., Wang, J., Du, Y., Holec, D., Nie, X. & Jin, Z., 2016, In: Computational materials science. 123, p. 59-64 6 p.

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

  10. Published

    Preferential site occupancy of alloying elements in TiAl-based phases

    Holec, D., Reddy, R. K., Klein, T. & Clemens, H., 2016, In: Journal of applied physics. 119, p. 1-6 6 p.

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

  11. Published

    Silicon distribution and silicide precipitation during annealing in an advanced multi-phase g-TiAl based alloy

    Klein, T., Rashkova, B., Holec, D., Clemens, H. & Mayer, S., 2016, In: Acta materialia. 110, p. 236-245 10 p.

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

  12. Published

    Silicon distribution and silicide precipitation in an advanced multi-phase γ-TiAl based alloy during annealing

    Klein, T., Rashkova, B., Holec, D., Clemens, H. & Mayer, S., 2016.

    Research output: Contribution to conference › Presentation › Research

  13. Published

    Structural and mechanical properties of nitrogen-deficient cubic Cr–Mo–N and Cr–W–N systems

    Zhou, L., Klimashin, F., Holec, D. & Mayrhofer, P. H., 2016, In: Scripta materialia. 123, p. 34-37 4 p.

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

  14. Published

    Surface adsorption phenomena from first principles

    Holec, D., 2016.

    Research output: Contribution to conference › Presentation › Research

  15. Published

    Tensorialelastic properties and mechanical stability of S5(210) grain-boundary complexions in Ni3Al from ab initiocalculations

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

    Research output: Contribution to conference › Presentation › Research

  16. Published

    Theory-guided materials design based on ab initio calculations

    Friak, M., Holec, D., Sob, M., Raabe, D. & Neugebauer, J., 2016.

    Research output: Contribution to conference › Presentation › Research

  17. 2015
  18. Published

    Ab initio study on stacking faults in gamma-TiAl

    Dumitraschkewitz, P., Clemens, H., Mayer, S. & Holec, D., 2 Oct 2015.

    Research output: Contribution to conference › Poster › Research

  19. Published

    Ab initio studies on the adsorption and implantation of Al and Fe to nitride materials

    Riedl, H., Zalesak, J., Arndt, M., Polcik, P., Holec, D. & Mayrhofer, P. H., 25 Sept 2015, In: Journal of applied physics. 118.2015, 12, p. 125306 8 p.

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

  20. Published

    Interplay between effect of Mo and chemical disorder on the stability of β/βo-TiAl phase

    Holec, D., Legut, D., Isaeva, L., Souvatzis, P., Clemens, H. & Mayer, S., 1 Jan 2015, In: Intermetallics. 61, p. 85-90 6 p., 5631.

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

  21. Published

    Addressing phase stabiltiy of physical vapour deposited (Al,Cr,X)2O3 coatings by density functional theory

    Koller, C., Holec, D., Ramm, J., Kolozsvari, S. & Mayrhofer, P., 2015.

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

  22. Published

    Designing the structure and mechanical properties of TaN

    Mayrhofer, P. H., Marihart, H., Koller, C. & Holec, D., 2015.

    Research output: Contribution to conference › Presentation › Research

  23. Published

    Evaluation of dislocation energy in thin films

    Coppeta, R. A., Holec, D., Ceric, H. & Grasser, T., 2015, In: Philosophical magazine. 95, p. 186-209

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

  24. Published

    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., 2015, In: Applied physics letters. 107, p. 073109-1 - 073109-5

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

  25. Published

    First principles modelling of alloying trends

    Holec, D., 2015

    Research output: Thesis › Habilitation thesis › peer-review

  26. Published

    Graphite under uniaxial compression along the c axis: A parameter to relate out-of-plane strain to in-plane phonon frequency

    Sun, Y. W., Holec, D. & Dunstan, D. J., 2015, In: Physical review : B, Condensed matter and materials physics. 92, p. 094108-1-094108-8

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

  27. Published

    Impact of Al on structure and mechanical properties of TaN and NbN: An experimental and Ab initio study

    Mayrhofer, P., Marihart, H., Koller, C. & Holec, D., 2015.

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

  28. Published

    Interface induced electronic structure toughening of nitride bilayers and superlattices: An ab initio study

    Rehák, P. & Holec, D., 2015.

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

  29. Published

    Microstructure, mechanical and optical properties of TiAlON coatings sputter deposited with varying oxygen partial pressures

    Schalk, N., Simonet Fotso, J., Holec, D., Fian, A., Jakopic, G., Terziyska, V., Daniel, R. & Mitterer, C., 2015.

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

  30. Published

    Microstructure, mechanical and optical properties of TiAlON coatings sputter-deposited with varying oxygen partial pressures

    Schalk, N., Simonet Fotso, J. F. T., Holec, D., Fian, A., Jakopic, G., Terziyska, V. L., Daniel, R. & Mitterer, C., 2015, In: Journal of physics / D, Applied physics.

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

  31. Published

    Nitrogen atom shift and the structural change in chromium nitride

    Wan, P., Zhang, Z., Holec, D., Daniel, R., Mitterer, C. & Duan, H., 2015, In: Acta materialia. 98, p. 119-127

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

  32. Published

    On the chemistry of the carbides in a molybdenum base Mo-Hf-C alloy produced by powder metallurgy

    Lang, D., Pöhl, C., Holec, D., Schatte, J., Povoden-Karadeniz, E., Knabl, W., Primig, S. & Clemens, H., 2015.

    Research output: Contribution to conference › Poster › Research

  33. Published

    Origin of temperature-induced low friction of sputtered Si-containing amorphous carbon coatings

    Jantschner, O., Field, S. K., Holec, D., Fian, A., Music, D., Schneider, J. M., Zorn, K. & Mitterer, C., 2015, In: Acta materialia. 82, p. 437-446

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

  34. Published

    Stacking fault energies and the generalized stacking fault energy of γ-TiAl (ongoing Masterthesis)

    Dumitraschkewitz, P., Clemens, H., Mayer, S. & Holec, D., 2015.

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

  35. Published

    Structural and mechanical properties of nitrogen-deficient cubic Cr-Mo-N and Cr-W-N systems

    Zhou, L., Klimashin, F., Holec, D. & Mayrhofer, P., 2015.

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

  36. Published

    Supersaturated intermetallic phases within the ternary Mo-Cr-N system

    Klimashin, F., Euchner, H., Holec, D. & Mayrhofer, P., 2015.

    Research output: Contribution to conference › Presentation › Research

  37. Published

    Synergy of atom-probe structural data and quantum-mechanical calculations in a theory-guided design of extreme-stiffness superlattices containing metastable phases

    Friak, M., Tytko, D., Holec, D., Choi, P. P., Eisenlohr, P., Raabe, D. & Neugebauer, J., 2015, In: New journal of physics. 17, p. 093004-1-093004-8

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

  38. Published

    Theory-guided design of high-performance superlatticescontaining metastable phases exemplified by nano-scale CrN/AlN

    Friak, M., Tytko, D., Holec, D., Choi, P. P., Eisenlohr, P., Raabe, D. & Neugebauer, J., 2015.

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

  39. Published

    Theory-guided design of high-strength superlattices containing metastable phases: example of nano-scale CrN/AlN

    Friak, M., Tytko, D., Holec, D., Choi, P. P., Eisenlohr, P., Raabe, D. & Neugebauer, J., 2015.

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

  40. Published

    Theory-guided materials design of high-performance superlattices containing metastable phases: example of nano-scale CrN/AlN

    Friák, M., Tytko, D., Holec, D., Choi, P. P., Eisenlohr, P., Raabe, D. & Neugebauer, J., 2015.

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

  41. Published

    Thermal expansion of rock-salt cubic AlN

    Bartosik, M., Todt, M., Holec, D., Todt, J., Zhou, L., Riedl, H., Böhm, H. J., Rammerstorfer, F. G. & Mayerhofer, P. H., 2015, In: Applied physics letters. 107, p. 071602-1 - 071602-5

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

  42. Published

    The use of atom probe tomography for the characterization and development of intermetallic γ-TiAl based alloys

    Klein, T., Schachermayer, M., Mendez Martin, F., Holec, D., Rashkova, B., Schöberl, T., Clemens, H. & Mayer, S., 2015.

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

  43. 2014
  44. E-pub ahead of print

    Complementary ab initio and X-ray nanodiffraction studies of Ta2 O5

    Hollerweger, R., Holec, D., Paulitsch, J., Bartosik, M., Daniel, R., Rachbauer, R., Polcik, P., Keckes, J., Krywka, C., Euchner, H. & Mayerhofer, P. H., 30 Oct 2014, (E-pub ahead of print) In: Acta materialia. 83.2015, 15 January, p. 276-284 9 p.

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

  45. Published

    Ab initio evaluation of the potential use of Sc-based III-nitrides in optoelectronics

    Holec, D., Zhang, S., Fu, W. Y., Humphreys, C. J., Mayrhofer, P. H. & Moram, M. A., 2014.

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

  46. Published

    Ab initio studies on the adsorption and adhesive transfer of Al and Fe to nitride coatings materials

    Riedl, H., Zalesak, J., Sobiech, M., Polcik, P., Holec, D. & Mayrhofer, P. H., 2014.

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

  47. Published

    Ab initio study of point defects in NiTi-based alloys

    Holec, D., Friák, M., Dlouhý, A. & Neugebauer, J., 2014, In: Physical review : B, Condensed matter and materials physics. 89, p. 0141101-0141106

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

  48. Published

    A combinatorial X-ray sub-micron diffraction study of microstructure, residual stress and phase stability in TiAlN coatings

    Riedl, A., Daniel, R., Todt, J., Steffenelli, M., Holec, D., Sartory, B., Krywka, C., Müller, M., Mitterer, C. & Keckes, J., 2014, In: Surface & coatings technology. 257, p. 108-113

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

  49. Published

    Buckling of ZnS-filled single-walled carbon nanotubes - The influence of aspect ratio

    Monteiro, A. O., Costa, P. M. F. J., Cachim, P. B. & Holec, D., 2014, In: Carbon. 79, p. 529-537

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

  50. Published

    Compositional induced changes in optical response of Si-doped titanium dioxide

    Ondracka, P., Holec, D., Franta, D., Kedronova, E., Elisabeth, S., Goullet, A. & Zajickkova, L., 2014.

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

  51. Published

    Composition induced changes in optical response of Si-doped titanium dioxide

    Ondracka, P., Holec, D., Franta, D., Kedronova, E., Elisabeth, S., Goullet, A. & Zajickkova, L., 2014.

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

  52. Published

    Computational Materials Science

    Holec, D., 2014.

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

  53. Published

    Computational simulation of instability phenomena in nanoparticles and nanofilms

    Todt, M., Toth, F., Hartmann, M., Holec, D., Cordill, M. J., Fischer, F. D. & Rammerstorfer, F. G., 2014, In: Computational Technology Reviews. 10, p. 89-119

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

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