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Atomistic-to-continuum coupling
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Luskin, Mitchell Barry and Ortner, Christoph (2013) Atomistic-to-continuum coupling. Acta Numerica, Volume 22 . pp. 397-508. doi:10.1017/S0962492913000068 ISSN 0962-4929.
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Official URL: http://dx.doi.org/10.1017/S0962492913000068
Abstract
Atomistic-to-continuum (a/c) coupling methods are a class of computational multiscale schemes that combine the accuracy of atomistic models with the efficiency of continuum elasticity. They are increasingly being utilized in materials science to study the fundamental mechanisms of material failure such as crack propagation and plasticity, which are governed by the interaction between crystal defects and long-range elastic fields.
In the construction of a/c coupling methods, various approximation errors are committed. A rigorous numerical analysis approach that classifies and quantifies these errors can give confidence in the simulation results, as well as enable optimization of the numerical methods for accuracy and computational cost. In this article, we present such a numerical analysis framework, which is inspired by recent research activity.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QA Mathematics Q Science > QC Physics |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Mathematics | ||||
Library of Congress Subject Headings (LCSH): | Mathematical physics, Crystals -- Defects, Atoms -- Models | ||||
Journal or Publication Title: | Acta Numerica | ||||
Publisher: | Cambridge University Press | ||||
ISSN: | 0962-4929 | ||||
Official Date: | May 2013 | ||||
Dates: |
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Volume: | Volume 22 | ||||
Page Range: | pp. 397-508 | ||||
DOI: | 10.1017/S0962492913000068 | ||||
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: | Great Britain. Department of the Environment (DOE), Engineering and Physical Sciences Research Council (EPSRC), University of California, Los Angeles. Institute for Pure & Applied Mathematics, United States. Air Force. Office of Scientific Research (AFOSR), National Science Foundation (U.S.). Partnerships for International Research and Education (PIRE) | ||||
Grant number: | DE-SC0002085 (DOE) ; EP/H003096 (EPSRC) ; FA9550-12-1-0187 (AFOSR) ; OISE-0967140 (PIRE) |
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