Rapid Design to Deployment of Tailored Alloys

Executive Summary

We will develop a materials acceleration platform that integrates data science and machine learning, thermodynamic and physical modeling, and state-of-the-art experiments to rapidly engineer materials with targeted performance. Our platform will reduce the design-to-deployment timescale for new alloys, enabling agile response in support of emerging challenges that are important for national security missions.

Publications, Presentations, and Patents

Perron, Aurélien, Brandon Bocklund. “CALPHAD Database Development and Optimization of Refractory HEAs.” Second World Congress on High Entropy Alloys (HEA 2021), Charlotte, NC. December 5-8, 2021. LLNL-PRES-829842.

Berry, Joel, Kate L. M. Elder, Aurélien Perron, Brandon J. Bocklund, Jibril Shittu, Hunter B. Henderson, Zachary Sims, Scott K. McCall, and Joseph T. McKeown. “Computational Discovery of Ultra-High Strength BCC Refractory MPEAs.” Second World Congress on High Entropy Alloys. HEA, Charlotte, NC. December 5-8, 2021. LLNL-PRES-829937.

Berry, Joel, Kate L. M. Elder, Aurélien Perron, Brandon J. Bocklund, Jibril Shittu, Hunter B. Henderson, Zachary Sims, Scott K. McCall, and Joseph T. McKeown. 2022. “Computational Discovery of Ultra-High Strength BCC Refractory MPEAs.” TMS Annual Meeting & Exhibition, 2021, Anaheim, CA. Feb. 27 - Mar. 3, 2022. LLNL-PRES-829937.

Elder, Kate L. M., Joel Berry, Aurélien Perron, Brandon J. Bocklund, Hunter B. Henderson, Jibril Shittu, Zachary Sims, Scott K. McCall, and Joseph T. McKeown. “Computational Discovery of Ultra-High Strength BCC Refractory Metal-Based MPEAs.” TMS 2022 Annual Meeting & Exhibition, Anaheim, CA. Feb. 27- March 3, 2022. LLNL-POST-831902.

Perron, Aurélien, Brandon J. Bocklund, Richard Otis, Kate L. M. Elder, Joel Berry, Alexander Landa, Charles Tong, Amit Samanta, and Vincenzo Lordi. “Exploring the Vast Refractory HEAs Composition Space: CALPHAD Database Development and Alloy Optimization.” 6th World Congress on Integrated Computational Materials Engineering (ICME) 2022, Incline Village, NV. April 24-28, 2022. LLNL-PRES-834176.

Berry, Joel, Aurélien Perron, Jean-Luc Fattebert, Andrea Jokisaari, and Nana Ofori-Opoku. 2022. “Multiscale Solidification Modeling.” 10th International Conference on Multiscale Materials Modeling (MMM 10), Baltimore, MD. Oct. 2-7, 2022. LLNL-ABS-831448.

Voisin, Thomas, Jibril Shittu, Aurélien Perron, Joseph T. McKeown, and Raymundo Arroyave. 2022. “Siimulations/Experiments Integration for Next Generation Hypersonic Materials.” TMS 2022 Annual Meeting & Exhibition. Anaheim, CA. LLNL-ABS-832962.