Name
Title | ||
|---|---|---|
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 based on coupling stresses instead of forces and extend the a priori analysis to this new method. We show that the new method has several theoretical advantages over the original QCF method. |
Year | DOI | Venue |
|---|---|---|
2011 | 10.1007/s00211-011-0380-5 | Numerische Mathematik |
Keywords | Field | DocType |
force-based atomistic,non-conservative atomistic,periodic chain,continuum model,continuum hybrid model,error analysis,new method,atomistic stress,qcf method,continuum coupling mechanism,original qcf method,new concept,new atomistic | Statistical physics,Coupling,Mathematical analysis,A priori and a posteriori,Continuum (design consultancy),Theoretical computer science,Periodic graph (geometry),Mathematics | Journal |
Volume | Issue | ISSN |
119 | 1 | 0945-3245 |
Citations | PageRank | References |
1 | 0.38 | 9 |
Authors | ||
3 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Charalambos Makridakis | 1 | 253 | 48.36 |
| Christoph Ortner | 2 | 74 | 16.77 |
| Endre Süli | 3 | 328 | 58.72 |