Formulation and optimization of the energy-based blended quasicontinuum method
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Abstract: We formulate an energy-based atomistic-to-continuum coupling method based on blending the quasicontinuum method for the simulation of crystal defects. We utilize theoretical results from Ortner and Van Koten (manuscript) to derive optimal choices of approximation parameters (blending function and finite element grid) for microcrack and di-vacancy test problems and confirm our analytical predictions in numerical tests.
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Cited in
(27)- A posteriori error estimation and adaptive algorithm for atomistic/continuum coupling in two dimensions
- Blended ghost force correction method for 3D crystalline defects
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