ABSTRACT
Computational multiscale methods that perform concurrent simulations of atoms and solid continua generally rely on classical assumptions for kinematics, such as the Cauchy-Born approximation, for deformations of perfect crystals. For the treatment of crystal defects, such assumptions do not apply and one is left only with performing full-scale atomistic energy minimizations. We present interim progress on an approach based on homogenization to enable continuum notions of deformations to apply to defected lattices. Using a decompositional kinematical representation, we present a single parameter line search method for the minimization procedure, with the intent of substantially reducing the computational cost.