Experimental studies of relationships between microstructure and physical properties of materials. Quantum-mechanical studies of electronic, magnetic and optical properties of ordered and disordered media. Atomistic studies of stress relaxations in heteroepitaxial films, on surfaces and at interfaces. Mesoscopic models of self-organization and pattern formation in correlated microstructural domains. Thermodynamic models for entropically stabilized ordered high-temperature alloys. Linking atomistic studies of incipient plasticity with direct experimental measurements. Calculations of minimum energy pathways and sampling of the density of states of large systems. Computational studies of dislocation loops in irradiated materials. Self-organized criticality and scale invariance in systems with long range interactions. Electron microscopy of extended defects and its coupling with image simulations of HREM contrast. Computational fracture mechanics and fatigue of metals and polymers. Experimental measurements of physical properties of metals and polymer-metal composites.
Elucidate the mechanism of strain relief in large-misfit heterostructures with focus on semiconductors used in advanced optoelectronics. Develop multiscale models of plasticity that are based on atomic-level studies of isolated dislocations. Develop theoretical models that describe the thermodynamics of plastic flow and phase stability of CoCrFeMnNi alloys. Construct simplified atomistic models of bonding in FCC equiatomic ternary, quaternary and quinary alloys. Describe the local reorientations of magnetic moments and changes in the distributions of charges in multiferroic materials using mesoscopic field-theoretical methods. Couple atomistic modeling with simulations of image contrast and direct HREM experiments to develop numerical aberration correctors for studies of lattice defects. Utilize finite element models to characterize the strength of bonding in polymer-metal composites. Investigate and optimize the magnetic and electrical properties of nanostructures for use in nanoelectronics, nanophotonics and biosensing, their correlation with geometrical/structural parameters of nanostructures and operational parameters. Develop routes to stabilize exotic structures by systematic strain engineering.