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Force-based atomistic/continuum blending for multilattices
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Olson, Derek, Li, Xingjie, Ortner, Christoph and Van Koten, Brian (2018) Force-based atomistic/continuum blending for multilattices. Numerische Mathematik, 140 (3). pp. 703-754. doi:10.1007/s00211-018-0979-x ISSN 0029-599X.
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WRAP-force-based-atomistic-continuum-blending-multilattices-Ortner-2018.pdf - Accepted Version - Requires a PDF viewer. Download (1091Kb) | Preview |
Official URL: https://doi.org/10.1007/s00211-018-0979-x
Abstract
We formulate the blended force-based quasicontinuum method for multilattices and develop rigorous error estimates in terms of the approximation parameters: choice of atomistic region, blending region, and continuum finite element mesh. Balancing the approximation parameters yields a convergent atomistic/continuum multiscale method for multilattices with point defects, including a rigorous convergence rate in terms of the computational cost. The analysis is illustrated with numerical results for a Stone–Wales defect in graphene.
Item Type: | Journal Article | |||||||||||||||
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Subjects: | Q Science > QA Mathematics | |||||||||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Mathematics | |||||||||||||||
Library of Congress Subject Headings (LCSH): | Lattice theory, Materials science, Algorithms | |||||||||||||||
Journal or Publication Title: | Numerische Mathematik | |||||||||||||||
Publisher: | Springer | |||||||||||||||
ISSN: | 0029-599X | |||||||||||||||
Official Date: | November 2018 | |||||||||||||||
Dates: |
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Volume: | 140 | |||||||||||||||
Number: | 3 | |||||||||||||||
Page Range: | pp. 703-754 | |||||||||||||||
DOI: | 10.1007/s00211-018-0979-x | |||||||||||||||
Status: | Peer Reviewed | |||||||||||||||
Publication Status: | Published | |||||||||||||||
Reuse Statement (publisher, data, author rights): | This is a post-peer-review, pre-copyedit version of an article published in Numerische Mathematik. The final authenticated version is available online at: https://doi.org/10.1007/s00211-018-0979-x | |||||||||||||||
Access rights to Published version: | Restricted or Subscription Access | |||||||||||||||
Date of first compliant deposit: | 20 July 2018 | |||||||||||||||
Date of first compliant Open Access: | 4 July 2019 | |||||||||||||||
RIOXX Funder/Project Grant: |
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