Regensburg 2010 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe
MM: Fachverband Metall- und Materialphysik
MM 43: Materials Design I
MM 43.2: Vortrag
Mittwoch, 24. März 2010, 15:00–15:15, H5
Stability and properties of Fe/ZrO2 interfaces — •Jürgen Kutzner — TU Bergakademie Freiberg, Leipziger Str. 23, 09596 Freiberg
The stability of the Fe/ZrO2 interface was investigated by means of density functional theory. In order to estimate surface energies we carried out calculations on pure phases of iron and ZrO2 for several surface orientations and phases. Further, we compared total energies and mechanical properties of different possible interface structures to predict the most stable interface structure. In order to investigate the influence of chemical composition on these properties we replaced then the pure components to simulate a simplified steel and MgO stabilized ZrO2.
We would like to thank the DFG for financial support within SFB 799: TRIP-Matrix-Composite.