Bridging Scale and Domain Reduction Approaches to
Multiscale Computations
Eduard G. Karpov (Northwestern University), Dong Qian (University of Cincinnati), Harold S. Park (Vanderbilt University) , Wing K. Liu (Northwestern University)

This talk is focused on the Bridging Scale coupling approach, in a broad sense, incorporating advanced mathematical techniques: multiple scale projection, generalized damping operator, domain reduction, and coupled atomistic/boundary element. General issues of AtC modeling (mismatch of dispersive properties, lattice dislocations, quantum effects, heat and mass transfer) are paid a thorough attention to stimulate discussion. We explain how some of these issues are resolved within the Bridging Scale framework. We explore possibilities of coupling across the quantum and continuum models for the prediction of multiphysics properties of nanomaterials. Discussion includes applications to nanofracture of fcc materials, nanoindentation, elastomechanics of carbon nanostructures and nanocomposites.

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