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Title: Computational design and experimental validation of new thermal barrier systems

The focus of this project is on the development of a reliable and efficient ab initio based computational high temperature material design method which can be used to assist the Thermal Barrier Coating (TBC) bond-coat and top-coat design. Experimental evaluations on the new TBCs are conducted to confirm the new TBCs’ properties. Southern University is the subcontractor on this project with a focus on the computational simulation method development. We have performed ab initio density functional theory (DFT) method and molecular dynamics simulation on screening the top coats and bond coats for gas turbine thermal barrier coating design and validation applications. For experimental validations, our focus is on the hot corrosion performance of different TBC systems. For example, for one of the top coatings studied, we examined the thermal stability of TaZr2.75O8 and confirmed it’s hot corrosion performance.
  1. Louisiana State Univ., Baton Rouge, LA (United States)
Publication Date:
OSTI Identifier:
DOE Contract Number:
Resource Type:
Technical Report
Research Org:
Louisiana State Univ., Baton Rouge, LA (United States)
Sponsoring Org:
Country of Publication:
United States