Luskin, Mitchell Barry, Ortner, Christoph and Van Koten, B. (2013) Formulation and optimization of the energy-based blended quasicontinuum method. Computer Methods in Applied Mechanics and Engineering, Volume 253 (Number 1). pp. 160-168. doi:10.1016/j.cma.2012.09.007 ISSN 0045-7825.
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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 T Technology > TA Engineering (General). Civil engineering (General) |
| Divisions: | Faculty of Science, Engineering and Medicine > Science > Mathematics |
| Library of Congress Subject Headings (LCSH): | Multiscale modeling, Crystalline polymers -- Defects -- Mathematical models, Continuum mechanics |
| Series Name: | ArXiv e-prints |
| Journal or Publication Title: | Computer Methods in Applied Mechanics and Engineering |
| Publisher: | Elsevier BV |
| ISSN: | 0045-7825 |
| Official Date: | 1 January 2013 |
| Dates: | Date Event 1 January 2013 Published |
| Volume: | Volume 253 |
| Number: | Number 1 |
| Page Range: | pp. 160-168 |
| DOI: | 10.1016/j.cma.2012.09.007 |
| Status: | Peer Reviewed |
| Publication Status: | Published |
| Access rights to Published version: | Restricted or Subscription Access |
| Date of first compliant deposit: | 22 December 2015 |
| Date of first compliant Open Access: | 22 December 2015 |
| Funder: | National Science Foundation (U.S.) (NSF), University of Minnesota. Supercomputer Institute, United States. Department of Energy, Engineering and Physical Sciences Research Council (EPSRC) |
| Grant number: | DMS-0757355 (NSF), DMS-0811039 (NSF), OISE-0967140 (NSF), DE-SC0002085 (DoE), EP/H003096 (EPSRC) |
| URI: | https://wrap.warwick.ac.uk/48640/ |
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