High Temperature Evolution of PtNiAl-Based Thermal Barrier Coatings from First Principles Simulations
Abstract
This grant was the last in a series to the PI to finish a sequence of thorough investigations via first principles quantum mechanics simulations into atomic scale mechanisms by which jet turbine engine thermal barrier coatings (TBCs) fail, which led to fundamental discoveries as to how and why certain additives (Hf, Y, Pt, etc.) in the coatings help extend their service life times, and ultimately to suggestions for how to improve these high temperature coatings that protect jet turbine engine components. The executive summary focuses on the these findings. As the research on TBCs wound down during the last year of the grant, the PI ramped up a new area of research, in solar energy conversion materials. That new research program is just getting started, however, with no publications as yet, and as such is premature to summarize beyond stating that extensive testing of methods to calculate excited states and conduction/valence band edges in transition metal oxides preliminary electron/hole mobility studies.
Document Details
- Document Type
- Technical Report
- Publication Date
- Aug 29, 2010
- Accession Number
- AD1026278
Entities
People
- Emily A. Carter