David Holec
Research output
- 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
- 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
- Published
Optimised structural models of solid slotions for tensorial properties
Nöger, D. & Holec, D., 2017.Research output: Contribution to conference › Poster › Research
- 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
- Published
Bulk diffusion of impurities in TiN: An ab initio study
Nayak, G. K., Popov, M. N. & Holec, D., 2022.Research output: Contribution to conference › Poster › Research
- 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 journal › Article › Research › peer-review
- 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 journal › Article › Research › peer-review
- 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 conference › Poster › Research
- 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 journal › Article › Research › peer-review
- 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 journal › Article › Research › peer-review