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Formulation and optimization of the energy-based blended quasicontinuum method
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Luskin, M., Ortner, Christoph and Van Koten, B.. (2013) Formulation and optimization of the energy-based blended quasicontinuum method. Computer Methods in Applied Mechanics and Engineering, Vol.253 (No.1). pp. 160-168. ISSN 0045-7825
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Official URL: http://dx.doi.org/10.1016/j.cma.2012.09.007
Abstract
We formulate an energy-based atomistic-to-continuum coupling method based on blending the quasicontinuum method for the simulation of crystal defects. We utilize theoretical results from Van Koten and Luskin [32] and Ortner and Van Koten [24] to derive optimal choices of approximation parameters (blending function and finite element grid) for microcrack and di-vacancy test problems and confirm our analytical predictions in numerical tests.
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QA Mathematics |
| Divisions: | Faculty of Science > Mathematics |
| Series Name: | ArXiv e-prints |
| Journal or Publication Title: | Computer Methods in Applied Mechanics and Engineering |
| Publisher: | Elsevier BV |
| ISSN: | 0045-7825 |
| Date: | January 2013 |
| Volume: | Vol.253 |
| Number: | No.1 |
| Page Range: | pp. 160-168 |
| Identification Number: | 10.1016/j.cma.2012.09.007 |
| Status: | Peer Reviewed |
| Publication Status: | Published |
| Access rights to Published version: | Restricted or Subscription Access |
| Funder: | PIRE, University of Minnesota Supercomputing Institute, Department of Energy, EP/H003096 |
| Grant number: | DMS-0757355, DMS-0811039, OISE- 0967140, de-sc0002085, EP/H003096 |
| URI: | http://wrap.warwick.ac.uk/id/eprint/48640 |
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