Dynamical simulation of EBSD master pattern of sigma (Fe-Cr-Mo)

Dynamical simulation of an electron backscatter diffraction (EBSD) master pattern of sigma in steel (P42/mnm, a = 0.8799 nm, c = 0.4566 nm). The master pattern was simulated with EMsoft v5.0. The HDF5 file includes master patterns of the upper and lower hemispheres, in both the stereographic projection and the square Lambert projection, of accelerating voltages from 10 to 20 kV with an increment of 1 kV. Note: The crystal used for this simulation is slightly different from the one used in https://zenodo.org/records/7628443. The HDF5 file can be opened with any HDF5 reader, e.g. the applications HDFView and HDFCompass or the Python library h5py. The file can also be read and plotted with the Python library kikuchipy (https://kikuchipy.org). Assuming Python 3.10 or higher and the library is installed, the stereographic projection of the master pattern with all energies can be read and plotted with the following commands: import kikuchipy as kp s = kp.load("steel_sigma2_mc_mp_20kv.h5") s.plot() The PNG file shows the stereographic projection of the upper hemisphere of the master pattern from 20 kV. The remaining files are input and output files to the EMsoft programs EMmkxtal (output: steel_sigma2.xtal), EMMCOpenCL (input: steel_sigma2.xtal, steel_sigma2_mcopencl.nml.nml; output: steel_sigma2_mc_mp_20kv.h5) and EMEBSDmaster (input: BetheParameters.nml, steel_sigma2_ebsdmaster.nml, steel_sigma2_mc_mp_20kv.h5; output: added to existing steel_sigma2_mc_mp_20kv.h5). The master pattern was simulated while Håkon Wiik Ånes received financial support from the Norwegian University of Science and Technology (NTNU) through the NTNU Aluminium Product Innovation Centre (NAPIC).