A Simulation Tool for the Accelerated Design and Development of Refractory Complex Concentrated Alloys for High Temperature Applications

In response to the solicitation AF19B-T002, CompuTherm proposes a pilot project aiming at accelerated discovery and development of refractory complex concentrated alloys (RCCAs) for high temperature applications beyond nickel-based superalloys and conventional refractory alloys. The major challenge in developing RCCAs with superior properties is to identify the promising candidates from the enormous number of combinational compositions formed by refractory metals and other supplement elements. To tackle this challenge, we will develop a simulation tool which allows us to perform high-throughput calculation in the multidimensional composition space to screen out the compositions that demonstrate potential. High-throughput experimental measurements will then be focused on the limited number of candidate alloys to identify those with optimum combination of high temperature strength and good room temperature ductility, as well as environmental resistance. While the ultimate goal at the completion of Phase II is to develop a simulation tool considering all the 17 metallic elements (Cr, Hf, Mo, Nb, Re, Ta, V, W, Zr Al, Ti, Si, Co, Ni, Fe, Y, B) and the 3 nonmetals (C, N, and O) in the RCCA palette, the Nb-Mo-Ti-Ta-Al-Cr-O subsystem is selected for Phase I study to demonstrate the feasibility of the proposed approach.