| Author | D.K. Datta , R.C. Picu and M.S. Shephard |
|---|---|
| Title | Composite Grid Atomistic Continuum Method: An adaptive approach to bridge continuum with atomistic analysis |
| Year | 2003 |
| Abstract | The Composite Grid Atomistic Continuum Method (CACM), a method to couple continuum and atom- istic models is proposed in a three dimensional setting. In this method, atomistic analysis is used only at places where it is needed in order to capture the intrinsically non-linear/non-local behavior of the material at the atomic scale, while continuum analysis is used elsewhere for e±ciency. The atomistic model is deŻned on a separate grid that overlaps the continuum in selected regions. The atomistic and the smallest scale continuum model are connected by appropriately deŻned operators. The continuum model provides bound- ary conditions to the discrete model while the atomistic model returns correcting eigenstrains. The adaptive selection of the spatial regions where the atomistic correction is needed is made based on error indicators developed to capture the non-linearity and non-locality modeling errors. The method is applied to represent dislocation nucleation from crack tips and nanoindentation in aluminum. |
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