engleski

Numerical modeling of atomistic-to-continuum coupling based on bridiging domain method

Nano-submodeling is an approach that enables insertion of nano-refined submodel (atomistic) in the global model (continuum). In this work analysis of the spurious effects that may arise in the concurrent atomistic-to-continuum coupling is performed. The coupling is based on the overlapping domain decomposition (ODD) method called bridging domain (similar is Arlequin method) where different models are overlapped and the displacements compatibility is enforced via Lagrange multipliers (LM). Some coupling options such as energy weighting, coupling zone geometry and LM field interpolation are tested.

atomistic-to-continuum coupling; bridging domain method; molecular mechanics; ghost forces; multi-scale method

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