David Holec

Research output

  1. 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 journalArticleResearch

  2. 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 conferencePosterResearch

  3. Published

    Optimised structural models of solid slotions for tensorial properties

    Nöger, D. & Holec, D., 2017.

    Research output: Contribution to conferencePosterResearch

  4. 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 journalArticleResearchpeer-review

  5. Published

    Bulk diffusion of impurities in TiN: An ab initio study

    Nayak, G. K., Popov, M. N. & Holec, D., 2022.

    Research output: Contribution to conferencePosterResearch

  6. Published

    Impact of d‑states on transition metal impurity diffusion in TiN

    Nayak, G. K., Holec, D. & Zelený, M., 22 May 2023, In: Scientific reports (London : Nature Publishing Group). 2023, 13, 11 p., 8244.

    Research output: Contribution to journalArticleResearchpeer-review

  7. E-pub ahead of print

    On correlations between local chemistry, distortions and kinetics in high entropy nitrides: An ab initio study

    Nayak, G. K., Kretschmer, A., Mayrhofer, P. H. & Holec, D., 19 Apr 2023, (E-pub ahead of print) In: Acta materialia. 255.2023, 15 August, 9 p., 118951.

    Research output: Contribution to journalArticleResearchpeer-review

  8. Published

    Realistic structural properties of amorphous SiNx from machine-learning-assisted molecular dynamics

    Nayak, G. K., Prashanth, S., Todt, J., Daniel, R. & Holec, D., 2023.

    Research output: Contribution to conferencePosterResearch

  9. Published

    Accurate prediction of structural and mechanical properties on amorphous materials enabled through machine-learning potentials: A case study of silicon nitride

    Nayak, G. K., Srinivasan, P., Todt, J., Daniel, R., Nicolini, P. & Holec, D., 6 Jan 2025, In: Computational materials science. 249.2025, 5 February, 11 p., 113629.

    Research output: Contribution to journalArticleResearchpeer-review

  10. E-pub ahead of print

    The effect of zirconium on the Ti-(42-46 at.%)Al system

    Musi, M., Kardos, S., Hatzenbichler, L., Holec, D., Stark, A., Allen, M., Güther, V., Clemens, H. & Spörk-Erdely, P., 2 Oct 2022, (E-pub ahead of print) In: Acta materialia. 241.2022, December, 13 p., 118414.

    Research output: Contribution to journalArticleResearchpeer-review

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