- Tytuł:
- Elastic constants and analytic bond order potential for atomistic simulations of simple cubic tungsten trioxide
- Autorzy:
-
Dendzik, Z.
Chrobak, D.
Nowak, R. - Powiązania:
- https://bibliotekanauki.pl/articles/1943224.pdf
- Data publikacji:
- 2009
- Wydawca:
- Politechnika Gdańska
- Tematy:
-
tungsten trioxide
DFT
elastic constans
bond-order potential - Opis:
- A set of elastic constants was calculated and a parametrization of the potential was derived for simple cubic tungsten trioxide based on an analytical bond-order scheme. It was show that the obtained parametrization provided a good description of interatomic forces and such properties as the lattice constant, the bulk modulus and the elastic constants.
- Źródło:
-
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2009, 13, 1-2; 93-98
1428-6394 - Pojawia się w:
- TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
- Dostawca treści:
- Biblioteka Nauki
Artykuł