Modeling of dislocations in complex materials
Examples of dislocation simulations: (clockwise from top right) stress contours around a dislocation loop, stress magnitude in a quantum dot, quantum dot geometry, energy density of a quantum dot.
Multiscale methods and simulation
Coupled atomistic-to-continuum simulation of a crack in a graphene sheet.
Atomic slip in a sheared sample containing nano-sized void.
Click on image for movie (4.7 MB).
Multiscale polymer analysis
Multiscale models of polyurea spanning molecular dynamics simulations, coarse-grained molecular dynamics, and micromechanics of polyurea composites (fibers and inclusions).