Goals of Imperfection Engineering Group (IEG) are to provide a better understanding of defect structure-property relationships through accelerated modeling and simulations, and to provide materials defect genomes with a focus on defect-defect interactions. The ultimate aim is to apply the accelerated computational frameworks and genomic databases for discovery and design of engineering materials via defect engineering.
We study fundamentals of defects including point defects, grain boundaries and triple junction networks to understand how they govern both localized and macroscopic ensemble properties.
We apply ML-accelerated atomistic simulation to streamline high-throughput defect genome development for design of alloys and polycrystalline materials.
We apply the system design approach to combine classical CALPHAD with the materials defect genomes we develop to design broad classes of polycrystalline materials such as metals and alloys.
