Effect of interfacial kinetic barriers on interface motion in binary diffusion couples
β Scribed by William C. Johnson
- Book ID
- 107447572
- Publisher
- The Minerals, Metals & Materials Society
- Year
- 1998
- Tongue
- English
- Weight
- 462 KB
- Volume
- 29
- Category
- Article
- ISSN
- 1073-5623
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## Abstract Platinum is added to thermal barrier coatings (TBCs) as it is observed empirically to extend their lifetime, but the mechanism by which Pt acts is unknown. Since Pt has been proposed to alter diffusivities in NiAl, a key component of TBCs, we use firstβprinciples quantum mechanics calcu
First-principles density functional theory calculations are used to study Al diffusion in b-NiAl. The activation energy and diffusion constant pre-exponential factors are calculated for five previously postulated Al diffusion mechanisms: next-nearest-neighbor Al jumps, the triple defect mechanism an