Abstract
In this paper, we develop the residual based a posteriori error estimates and the corresponding adaptive mesh refinement algorithm for atomistic/continuum (a/c) coupling with finite range interactions in two dimensions. We have systematically derived a new explicitly computable stress tensor formula for finite range interactions. In particular, we use the geometric reconstruction based consistent atomistic/continuum (GRAC) coupling scheme, which is quasi-optimal if the continuum model is discretized by P1 finite elements. The numerical results of the adaptive mesh refinement algorithm is consistent with the quasi-optimal a priori error estimates.
Original language | English |
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Pages (from-to) | 198-226 |
Number of pages | 29 |
Journal | Communications in Computational Physics |
Volume | 27 |
Issue number | 1 |
Early online date | 31 Oct 2019 |
DOIs | |
Publication status | Published - 2020 |
Keywords
- A posteriori error estimate
- Atomistic models
- Atomistic-to-continuum coupling
- Coarse graining
- Quasicontinuum method
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)