An analysis of node-based cluster summation rules in the quasicontinuum method

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Abstract

We investigate two examples of node-based cluster summation rules that have been proposed for the quasicontinuum (QC) method: a force-based approach and an energy-based approach which is a generalization of the nonlocal QC method. We show that, even for the case of nearest-neighbor interaction in a one-dimensional periodic chain, both of these approaches create large errors that cannot be removed by increasing the cluster size when used with graded and, more generally, nonsmooth meshes. We offer some suggestions for how the accuracy of (cluster) summation rules may be improved.

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, Continuum mechanics, Crystalline polymers -- Defects -- Mathematical models
Journal or Publication Title: SIAM Journal on Numerical Analysis
Publisher: Society for Industrial and Applied Mathematics
ISSN: 0036-1429
Official Date: 4 September 2009
Dates:
Date
Event
4 September 2009
Published
22 June 2009
Accepted
11 December 2008
Submitted
Volume: Volume 47
Number: Number 4
Page Range: pp. 3070-3086
DOI: 10.1137/080743391
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Date of first compliant deposit: 28 July 2016
Date of first compliant Open Access: 28 July 2016
Funder: National Science Foundation (U.S.) (NSF), United States. Department of Energy, Institute for Mathematics and Its Applications (IMA), University of Minnesota. Supercomputer Institute, Engineering and Physical Sciences Research Council (EPSRC)
Grant number: DMS- 0757355 (NSF), DMS-0811039 (NSF), DE-FG02-05ER25706 (DOE)
URI: https://wrap.warwick.ac.uk/43811/

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