Real-space dynamical simulation for electron microdiffraction effects

A microdiffraction pattern is calculated from a translation domain boundary in β-Ni3Nb with a little crystal tilt by real-space multislice procedure, which is very similar to the experimental result. By carrying out simulation, it is revealed that the features of the patterns, such as splitting or streaking of some spots, are affected by probe position, crystal tilt and probe size. In our case, they are more sensitive to the probe position than the crystal tilt and probe size. Any change in thickness in the simulation may cause the features to be obviously varied, especially under crystal tilting. In practice, segmenting of some spots also occurs for a perfect β-Ni3Nb crystal, which has been theoretically proved to be due to dynamical diffraction but not probe size.