Abstract
We investigate several issues connected with bridging methods for AtC coupling. We study different coupling approaches, using various blending models, as well as the influence of the parameters of the models on the results. One approach we focus on is the use of the Lagrange multiplier method for enforcing constraints on the atomistic and continuum displacements in the bridge region. In addition, we investigate a multiple-neighbor interaction, applying a number of boundary treatments in the atomistic region.
| Original language | English |
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| Title of host publication | Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008 |
| Editors | Anter El-Azab |
| Publisher | Department of Scientific Computing, Florida State University |
| Pages | 77-80 |
| Number of pages | 4 |
| ISBN (Electronic) | 9780615247816 |
| State | Published - 2008 |
| Externally published | Yes |
| Event | 4th International Conference on Multiscale Materials Modeling, MMM 2008 - Tallahassee, United States Duration: Oct 27 2008 → Oct 31 2008 |
Publication series
| Name | Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008 |
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Conference
| Conference | 4th International Conference on Multiscale Materials Modeling, MMM 2008 |
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| Country/Territory | United States |
| City | Tallahassee |
| Period | 10/27/08 → 10/31/08 |
Funding
∗This work was supported by the Office of Science of the U.S. Department of Energy under grant number DE-FG02-05ER25698.