CMI researchers from Oak Ridge National Laboratory, University of Tennessee Knoxville, and Lawrence Livermore National Laboratory were involved with this highlight.
Innovation
Dayton Kizzire, a previous CMI postdoc at UTK, Knoxville, transitions to a postdoctoral position at the Spallation Neutron Source at ORNL.
Achievement
Using experiments, simulations, and AI, Dayton has developed a fully parallelized and integrated python workflow to train, test, and validate new interatomic potentials for high-throughput alloy development.
Significance and Impact
- Dayton’s expertise and interatomic potentials can be generalized to other intermetallic systems, particularly 4f electron systems.
- Dayton will continue to develop a library of interatomic potentials for Al-Ce-X alloys to gain insights into alloy property enhancement.
Hub Goal Addressed
Workforce development. Predictive Models for “Real” Materials. Increasing the Speed of Discovery and Integration