Density functional theory (DFT) calculations were used to investigate atomic-level interactions at interfaces between ceramics and metals. The characterization of ideal interfaces with respect to thermal barrier coatings was also presented. First principles calculations hold direct implications for chemically improving the performance of thermal barrier coatings (TBC) in jet engine turbines.
|Original language||English (US)|
|Number of pages||9|
|Journal||Computing in Science and Engineering|
|State||Published - 2002|
All Science Journal Classification (ASJC) codes
- Computer Science(all)