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Regularity and locality of point defects in multilattices

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Olson, Derek and Ortner, Christoph (2017) Regularity and locality of point defects in multilattices. Applied Mathematics Research eXpress, 2017 (2). pp. 297-337. doi:10.1093/amrx/abw012 ISSN 1687-1200.

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Official URL: https://doi.org/10.1093/amrx/abw012

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Abstract

We formulate a model for a point defect embedded in a homogeneous multilattice crystal with an empirical interatomic potential interaction. Under a natural phonon stability assumption, we quantify the decay of the long-range elastic fields with increasing distance from the defect. These decay estimates are an essential ingredient in quantifying approximation errors in coarse-grained models and in the construction of optimal numerical methods for approximating crystalline defects.

Item Type: Journal Article
Subjects: Q Science > QA Mathematics
Q Science > QD Chemistry
Divisions: Faculty of Science, Engineering and Medicine > Science > Mathematics
Library of Congress Subject Headings (LCSH): Crystals -- Defects -- Mathematical models, Crystal lattices
Journal or Publication Title: Applied Mathematics Research eXpress
Publisher: Oxford University Press
ISSN: 1687-1200
Official Date: 1 September 2017
Dates:
DateEvent
1 September 2017Published
18 January 2017Available
29 December 2016Accepted
31 August 2016Submitted
Volume: 2017
Number: 2
Page Range: pp. 297-337
DOI: 10.1093/amrx/abw012
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Date of first compliant deposit: 6 March 2017
Date of first compliant Open Access: 18 January 2018
Funder: National Science Foundation. Partnerships for International Research and Education (U.S.) (NSF PIRE), European Research Council (ERC)
Grant number: Grant OISE-0967140 (NSF PIRE), Grant 335120

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