The Ni(111) √7×√7 || c-ZrO2(111) √3×√3 ideal interface was studied as a model the thermal barrier coating (TBC) system by using the ultrasoft pseudopotential density functional theory (DFT) formalism. The main observation was that ZrO2(111) adheres relatively strongly at the monolayer level, but thicker ceramic films interact weakly with the Ni-substrate.
|Original language||English (US)|
|Number of pages||16|
|Journal||Journal of Chemical Physics|
|State||Published - Apr 1 2001|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry