High Entropy Alloys

QuesTek is applying its Integrated Computational Materials Engineering (ICME) technologies to enable the design of High Entropy Alloys (HEAs). Under a Phase I Department of Energy (DOE) Small Business Innovation Research (SBIR) program in 2015, QuesTek constructed and validated an extensive CALPHAD (CALculation of PHAse Diagrams) thermodynamic database specifically designed for HEA compositions, based on experimental data and high-throughput DFT calculations. QuesTek demonstrated improved accuracy of the new HEA CALPHAD database in predicting HEA formation.

QuesTek's HEA CALPHAD database, developed in the DOE Phase I program, has led to a more comprehensive understanding of ternary interaction parameters. The example above illustrates those values for Fe- and Ni-containing FCC and BCC phases.


Under an ongoing two-year Phase II DOE SBIR program, QuesTek is developing structure-property models to enable the design of HEAs. Using these models, the constructed HEA CALPHAD database, and QuesTek's Materials by Design methodologies, QuesTek will produce perliminary HEA designs and characterize their performance for high-temperature industrial gas turbine applications.


Relevant files