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Theory-based benchmarking of the blended force-based quasicontinuum method
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Li, Xingjie Helen, Luskin, Mitchell Barry, Ortner, Christoph and Shapeev, A. V. (2014) Theory-based benchmarking of the blended force-based quasicontinuum method. Computer Methods in Applied Mechanics and Engineering, Volume 268 . pp. 763-781. doi:10.1016/j.cma.2013.10.007 ISSN 0045-7825.
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Official URL: http://dx.doi.org/10.1016/j.cma.2013.10.007
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.
Item Type: | Journal Article | ||||||||||
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Subjects: | Q Science > QA Mathematics T Technology > TA Engineering (General). Civil engineering (General) |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Mathematics | ||||||||||
Library of Congress Subject Headings (LCSH): | Multiscale modeling, Crystalline polymers -- Defects -- Mathematical models, Continuum mechanics | ||||||||||
Journal or Publication Title: | Computer Methods in Applied Mechanics and Engineering | ||||||||||
Publisher: | Elsevier BV | ||||||||||
ISSN: | 0045-7825 | ||||||||||
Official Date: | 2014 | ||||||||||
Dates: |
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Volume: | Volume 268 | ||||||||||
Page Range: | pp. 763-781 | ||||||||||
DOI: | 10.1016/j.cma.2013.10.007 | ||||||||||
Status: | Peer Reviewed | ||||||||||
Publication Status: | Published | ||||||||||
Access rights to Published version: | Restricted or Subscription Access | ||||||||||
Date of first compliant deposit: | 27 December 2015 | ||||||||||
Date of first compliant Open Access: | 27 December 2015 | ||||||||||
Funder: | National Science Foundation (U.S.) (NSF), United States. Department of Energy, United States. Air Force. Office of Scientific Research (AFOSR), Engineering and Physical Sciences Research Council (EPSRC) | ||||||||||
Grant number: | OISE-0967140 (NSF), DE-SC0002085 (DOE), FA9550-12-1-0187 (AFOSR), EP/H003096 (EPSRC) |
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