- Tytuł:
- Ab initio Calculation of Quasi-Equilibrium Microcracks in Cubic Boron Nitride
- Autorzy:
-
Góra, D.
Parlinski, K. - Powiązania:
- https://bibliotekanauki.pl/articles/2035553.pdf
- Data publikacji:
- 2002-09
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.15.Mb
75.50.Ee
62.20.Mk - Opis:
- A crack in cubic boron nitride crystal was simulated within the ab initio density-functional theory. The lattice constant, critical stress intensity factor K$\text{}_{c}$, which describes crack creation stress, and fracture surface energy Γ were calculated from the elongated 2×6×1 supercell and these quantities agree quite well with the experimental data. We conclude that density-functional theory can be used to estimate crack's material constants.
- Źródło:
-
Acta Physica Polonica A; 2002, 102, 3; 437-442
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł