Development of a novel multi-scale numerical technique AITranslate

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DOI：https://doi.org/10.1016/j.commatsci.2009.12.039

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A novel multi-scale method is presented for coupling atomic and continuum domains. The molecular dynamics method and finite cloud method are used to model the atomic and continuum domains respectively. Smooth exchange of information between the domains is ensured by satisfying the field variable compatibility condition across the overlapping transition region. The developed multi-scale model is validated by solving one-dimensional wave propagation problem and comparing the results with analytical solution. The preliminary results are found to be very promising.