Dynamical simulation of EBSD master pattern of a sigma-phase in steel

Dynamical simulation of an electron backscatter diffraction (EBSD) master pattern of a sigma-phase (FeCr) in steel (P4₂/mmm, a = 8.7961 Å, c = 4.5605 Å) (see Yakel [1983], doi:10.1107/S0108768183001974). 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 5 to 20 kV with an increment of 1 kV.

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 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("/path/to/steel_sigma_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_sigma.xtal), EMMCOpenCL (input: steel_sigma.xtal, mcopencl.nml; output: steel_sigma_mc_mp_20kv.h5) and EMEBSDmaster (input: BetheParameters.nml, ebsdmaster.nml, steel_sigma_mc_mp_20kv.h5; output: added to existing steel_sigma_mc_mp_20kv.h5).