Fig. 1: Schematics of the framework for creating 3D simulated data sets.
From: A convolutional neural network for defect classification in Bragg coherent X-ray diffraction
a A random element, class, crystal surfaces, and dislocation position are selected. b The corresponding crystal is constructed using MERLIN (Rodney (2000 2010). Merlin in a nutshell (unpublished)) and relaxed using LAMMPS39. c The dislocation dissociates into Shockley partials and d a strain field builds-up in the crystal. e Finally, the corresponding 3D CXDP is calculated with PyNX44.
