Theory-based benchmarking of the blended force-based quasicontinuum method
X. H. Li, M. Luskin, C. Ortner and A. V. Shapeev
Computer Methods in Applied Mechanics and Engineering, 268, 763–781 (2014).
X. H. Li, M. Luskin, C. Ortner and A. V. Shapeev
Computer Methods in Applied Mechanics and Engineering, 268, 763–781 (2014).
ABSTRACT
We formulate an atomistic-to-continuum coupling method based on blending atomistic and continuum forces. Our precise choice of blending mechanism is informed by theoretical predictions. We present a range of numerical experiments studying the accuracy of the scheme, focusing in particular on its stability. These experiments confirm and extend the theoretical predictions, and demonstrate a superior accuracy of B-QCF over energy-based blending schemes.