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A priori error analysis of two force-based atomistic/continuum models of a periodic chain

Abstract:

The force-based quasicontinuum (QCF) approximation is a non-conservative atomistic/continuum hybrid model for the simulation of defects in crystals. We present an a priori error analysis of the QCF method, applied to a one-dimensional periodic chain, that is valid for an arbitrary interaction range, large deformations, and takes coarse-graining into account. Our main tool in this analysis is a new concept of atomistic stress. Moreover, we formulate a new atomistic/continuum coupling mechanism...

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Publisher copy:
10.1007/s00211-011-0380-5

Authors


Makridakis, C More by this author
Journal:
Numerische Mathematik
Volume:
119
Issue:
1
Pages:
83-121
Publication date:
2011-09-05
DOI:
ISSN:
0029-599X
URN:
uuid:1d84f065-bcdf-451d-919f-b391eb6e68f5
Source identifiers:
179370
Local pid:
pubs:179370
Language:
English

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