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Publication 76

Theory-based Benchmarking of the Blended Force-Based Quasicontinuum Method


Xingjie Helen Li
Department of Applied Mathematics, Brown University, 182 George St., Providence, RI 02912, USA

MinnesotaMitchell Luskin
School of Mathematics, University of Minnesota 206 Church Street SE, Minneapolis, MN 55455, U.S.A.

WarwickChristoph Ortner
Mathematics Institute, Zeeman Building, University of Warwick, Coventry CV4 7AL, UK

MinnesotaAlexander V. Shapeev
School of Mathematics, University of Minnesota, 206 Church St. SE, Minneapolis, MN 55455, USA

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.
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