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Sharp uniform convergence rate of the supercell approximation of a crystalline defect
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Braun, Julian and Ortner, Christoph (2020) Sharp uniform convergence rate of the supercell approximation of a crystalline defect. SIAM Journal of Numerical Analysis, 58 (1). pp. 279-297. doi:10.1137/18M122830X ISSN 1095-7170.
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WRAP-sharp-uniform-convergence-rate-supercell-crystalline-defect-Ortner-2019.pdf - Accepted Version - Requires a PDF viewer. Download (1035Kb) | Preview |
Official URL: https://doi.org/10.1137/18M122830X
Abstract
We consider the geometry relaxation of an isolated point defect embedded in a homogeneous crystalline solid, within an atomistic description. We prove a sharp convergence rate for a periodic supercell approximation with respect to uniform convergence of the discrete strains.
Item Type: | Journal Article | |||||||||
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Subjects: | Q Science > QA Mathematics Q Science > QD Chemistry |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Mathematics | |||||||||
Library of Congress Subject Headings (LCSH): | Geometry , Crystals -- Defects -- Mathematical models, Crystals -- Structure -- Research | |||||||||
Journal or Publication Title: | SIAM Journal of Numerical Analysis | |||||||||
Publisher: | Society for Industrial and Applied Mathematics | |||||||||
ISSN: | 1095-7170 | |||||||||
Official Date: | 14 January 2020 | |||||||||
Dates: |
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Volume: | 58 | |||||||||
Number: | 1 | |||||||||
Page Range: | pp. 279-297 | |||||||||
DOI: | 10.1137/18M122830X | |||||||||
Status: | Peer Reviewed | |||||||||
Publication Status: | Published | |||||||||
Reuse Statement (publisher, data, author rights): | “First Published in SIAM Journal of Numerical Analysis in 58(1) 2020, published by the Society for Industrial and Applied Mathematics (SIAM)” and the copyright notice as stated in the article itself (e.g., “Copyright © by SIAM. Unauthorized reproduction of this article is prohibited.”) | |||||||||
Access rights to Published version: | Restricted or Subscription Access | |||||||||
Copyright Holders: | © 2020, Society for Industrial and Applied Mathematics | |||||||||
Date of first compliant deposit: | 4 November 2019 | |||||||||
Date of first compliant Open Access: | 4 November 2019 | |||||||||
RIOXX Funder/Project Grant: |
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