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Advanced Modeling and Simulation in Engineering Sciences
Fig. 2 | Advanced Modeling and Simulation in Engineering Sciences

Fig. 2

From: Application of artificial neural networks for the prediction of interface mechanics: a study on grain boundary constitutive behavior

Fig. 2

Left: Geometry and dimensions of the MD simulation box. Right: The boundary conditions on top and bottom of the simulation box. The color coding is based on common neighbor analysis (CNA) implemented in Ovito. Green represents a perfect fcc structure and blue the unknown atoms (i.e. dislocation cores and disordered grain boundaries or free surfaces such as crack surface)

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