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The role of reactive elements in thermal barrier coatings

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2 Author(s)
Jarvis, E.A. ; California Univ., Los Angeles, CA, USA ; Carter, E.A.

With the assistance of high-performance computing, the authors employ density functional theory (DFT) calculations to investigate atomic-level interactions at interfaces between ceramics and metals. They present their findings, based on DFT calculations, characterizing ideal interfaces related to those present in typical thermal barrier coatings

Published in:

Computing in Science & Engineering  (Volume:4 ,  Issue: 2 )