Imperfection Engineering Group (IEG)

Atomistic foundations and building blocks for designing polycrystalline materials.

Department of Chemical & Materials Engineering · New Jersey Institute of Technology

Overview

Defects, interfaces, and the materials we design from them

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.

Polycrystalline ensemble with intra-grain defects, grain boundaries, and triple junctions
Theme 1

Fundamentals of Defects in Polycrystalline Materials

Defects, grain boundaries, and triple-junction networks — and how they govern polycrystalline behavior.

Periodic table linked to a defect chemistry genome matrix
Theme 2

Materials Defect Genome

Periodic table maps of defect chemistry, building the genome that links structure-property relationships in crystalline materials

Olson-style contour plot showing iso-property curves and the alloy design window
Theme 3

Alloy design

System design approach in combination with ML-accelerated materials defect genome for extreme environment materials design

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