Abstract
In this paper, a concurrent multiscale method for coupling the three dimensional continuum and molecular dynamics domain is presented. The coupling method is based on the Bridging Domain method. To handle discontinuities in continuum domain, the extended finite element method (XFEM) is used. The Lennard-Jones potential is used to model the interactions in the atomistic domain and the Cauchy-Born method is used to compute the material behaviour in the continuum domain. To show the productivity and applicability of the proposed method, two different three dimensional crack examples were modeled. The results show that the method is capable of handling dislocation nucleation and crack propagation in the three dimensional space.
| Original language | English |
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| Title of host publication | Proceedings of the 8th International Conference on Engineering Computational Technology, ECT 2012 |
| Publisher | Civil-Comp Press |
| Volume | 100 |
| ISBN (Print) | 9781905088553 |
| Publication status | Published - 2012 |
| Event | 8th International Conference on Engineering Computational Technology, ECT 2012 - Dubrovnik, Croatia Duration: 2012 Sept 4 → 2012 Sept 7 |
Other
| Other | 8th International Conference on Engineering Computational Technology, ECT 2012 |
|---|---|
| Country/Territory | Croatia |
| City | Dubrovnik |
| Period | 12/9/4 → 12/9/7 |
Keywords
- Bridging domain method
- Extended finite element method
- Molecular dynamics
- Multiscale methods
ASJC Scopus subject areas
- Environmental Engineering
- Civil and Structural Engineering
- Computational Theory and Mathematics
- Artificial Intelligence