We present numerical validation studies for a concurrent multiscale method designed to combine molecular dynamics and finite element analysis targeting the simulation of solids. The method is based on an overlapping domaindecomposition and uses weak matching constraints to enforce matching between the finite element displacement field and the projection of the molecular dynamics displacement field on the mesh. A comparison between our method and the well-known bridging domain method by Xiao and Belytschko  is presented. As part of our validation study we discuss applicability of the method to the simulation of fracture propagation and show results.
- molecular dynamics
- finite elements
- weak coupling
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Fackeldey, K., Krause, D., Krause, R. (2011). Numerical validation of a constraints-based multiscale simulation method for solids. In: Griebel, M., Schweitzer, M. (eds) Meshfree Methods for Partial Differential Equations V. Lecture Notes in Computational Science and Engineering, vol 79. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-16229-9_9
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