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arxiv: 1304.1368 · v2 · pith:5Z4RPDMGnew · submitted 2013-04-04 · 🧮 math.NA · cond-mat.mtrl-sci

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

classification 🧮 math.NA cond-mat.mtrl-sci
keywords blendingaccuracyexperimentsmethodpredictionstheoreticalatomisticatomistic-to-continuum
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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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