Computational design of CMAS-resistant multiphase thermal and environmental barrier coatings for CMCs

Although ceramic matrix composites (CMCs) have been a material of interest for gas turbine components with operating temperatures 100-150 C higher than typical superalloy materials, the temperature capability of CMCs is still limited by the lack of environmental durability of coatings. One of the main degradation mechanisms at high temperature (1200 C) is due to calcia-magnesia-alumina-silicate (CMAS) deposit. Under this SBIR Phase II program, QuesTek Innovations LLC will continue leveraging its expertise in integrated computational materials engineering (ICME) to design multilayer thermal-environmental barrier coatings (T-EBCs) with improved environmental durability for enhanced performance of CMC engine components. QuesTek will develop/apply its advanced computational thermodynamic models and databases to predict CMAS-coating interactions and design a CMAS-resistant multilayer oxide coating system capable of extended performance to help increase CMC operating temperatures to or above 1482 C. Partnership with Prof. David Poerschke at University of Minnesota (UMN), an expert in T-EBC material and CMAS-induced degradation, will continue in Phase II. UMN will also perform targeted experiments to process, test, characterize, and validate the elements of the designed coating subsystems. Such integrated computational and experimental approach proposed by the QuesTek-UMN team could enable intelligent and accelerated design of T-EBC materials/architecture with balanced performance requirements by reducing the need for time-consuming experiments. Raytheon Technologies Research Center (RTRC) has provided a Letter of Support for the Phase II program (attached at the end of the document), which will provide industrially relevant guidance on the technical tasks and assist in future commercialization of the developed materials/technology. The QuesTek’s solution to improve environmental durability, particularly against CMAS attack, is to design multilayer T-EBCs through integrated computational and experimental approach. Since CMAS can exist with the broad range of composition, developing a viable coating solution through conventional “trial-and-error” approach is prohibitively time-consuming and impractical. QuesTek will use thermodynamic approach (i.e., CALPHAD) to predict reaction product from CMAS-coating interaction, and viscosity of CMAS as a function of evolved compositions during its reaction with T-EBC, which are critical for coating design. Utilizing those CALPHAD-approach as well as models to be developed in Phase II such as CMAS infiltration model, QuesTek will design CMAS-resistant rare earth zirconate/aluminate multiphase materials as an outer layer of multilayer system, which can produce diverse reaction products compared to the typical reactions with Gd- and Y-zirconate TBC materials, hence, provide protection against many different CMAS deposit chemistries. There are four technical objectives: 1. Model development: Develop CMAS infiltration model, and CTE model which enable the design of CMAS-resistant multilayer oxide coatings. These models will be implemented into QuesTek’s software as design toolkits. 2. QuesTek and University of Minnesota continues to refine the design of T-EBC top layer, and finalize the design. 3. Coating interface between Yb2Si2O7 and selected T-EBC top layer will be identified to ensure thermochemical and thermomechanical compatibility. 4. QuesTek will work with a coating vendor to deposit the designed multilayer oxide coatings on the coupons, which will be tested by UMN through annealing testing, thermal cycle testing, and CMAS exposure testing. Quarterly reports summarizing the progress of each quarter will be submitted at the end of each seven quarters, and a Final Phase II report will be submitted at the end of Phase II program. The final report contains coating materials design strategy, experimental data and analysis, and final composition of T-EBC top layer and coating interface and coating architectures. Annual review meeting at the end of Year 1, and final review meeting at the end of Phase II will be held. Another deliverable includes source codes of some of the mechanistic models in the form of python script.

Potential NASA applications will be propulsion components (nozzles, turbine vanes and blades, combustor liner, exhaust nozzle) for subsonic and supersonic fixed and rotary wing aircrafts, and combustor panel components on hypersonic vehicles. Potential non-NASA applications will be turbine components in future civilian aircraft propulsion systems (e.g., future generations of turbofan engines similar to CFM LEAP and GE9X), and turbine components in industrial gas turbine plants.

This is early/mid-stage (TRL 1) — the most realistic path in is NASA SBIR/STTR, which funds small businesses and research institutions to develop technology aligned with NASA's needs (equity-free, phased funding). Check whether a current SBIR/STTR solicitation topic overlaps with this project's technology area, or contact the project directly (above) to ask.

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