Theory-based benchmarking of the blended force-based quasicontinuum method ?
Development of a force-based blended atomistic-to-continuum coupling method. Theoretical optimization of the blending function and mesh refinement. Numerical experiments that validate the predictions for lattice stability and strain. Numerical demonstration of the superior accuracy of the blended force-based method.
quasicontinuum error analysis atomistic to continuum embedded atom model quasi-nonlocal