This project simulated the formational energy and equilibrium phases of body-centered cubic (BCC) refractory high-entropy alloys (HEAs). Perfect crystal supercells were generated in a random and special quasirandom (SQS) atomic placement. Generated perfect crystals were modified to have either a vacancy or an interstitial carbon atom. Total energy for each structure was then calculated. After, phase diagrams were calculated for the equi-atomic HEAs. The software used for simulating included nanoHUB, BURAI, and Thermo-Calc.
The purpose of this project was to design, build, and test simulation models of Raytheon’s radar manufacturing process. The models include the current state as well as future states that could potentially improve the current process. The simulation will be used at Raytheon by our project sponsor, Ed Martinez, as a tool to analyze potential production changes.