Atomistic foundations and building blocks for designing polycrystalline materials.
We study how defects such as point defects, dislocations, grain boundaries, and triple junctions govern behavior of polycrystalline materials. Combining atomistic simulation with statistical and CALPHAD-style frameworks, our group develops building blocks for engineering and design of structural alloys and functional materials in extreme environments.
Defects, grain boundaries, and triple-junction networks — and how they govern polycrystalline behavior.
Periodic table maps of defect chemistry, building the genome that links structure-property relationships in crystalline materials
System design approach in combination with ML-accelerated materials defect genome for extreme environment materials design