Computational Design of MoCr Superalloys for High Temperature Service

QuesTek Innovations LLC proposes to expand its computational Materials by Design® technology by developing a “design toolkit” that enables the computational design and development of oxidation- and creep-resistant ductile multicomponent Molybdenum-based superalloys for use at 1300C and above. The proposed toolkit will build upon key mechanistic insights gained in the Phase I program and enable QuesTek to theoretically evaluate radical new microstructural concepts with the potential of achieving critical performance requirements simultaneously: novel multiphase Mo-based alloys composed of a ductile multicomponent BCC matrix (for toughness) and secondary phase distribution for oxidation resistance and creep strength. As part of the toolkit QuesTek will develop models to simulate the impact of the multicomponent cross-effects and the microstructure length scales (e.g. precipitate particle size/morphology, volume fraction, number density) on the key properties of interest. Focused experiments, such as multicomponent diffusion couples, will be utilized to inform the models. QuesTek will also evaluate multiple “build-to-print” processing options, such as electron-beam melting, that can enable the sub-scale fabrication of designed optimal microstructures to calibrate and validate the toolkit. In the Phase III program, QuesTek’s OEM partners, Pratt & Whitney Rocketdyne and H.C. Starck will assist in the eventual scale-up of the build-to-print microstructures.