Dataset for "Studying GPI zones in Al-Zn-Mg alloys by 4D-STEM"
Authors/Creators
- 1. Department of Physics, Norwegian University of Science and Technology (NTNU)
- 2. Department of Physics, Norwegian University of Science and Technology (NTNU); SINTEF Industry
- 3. SINTEF Industry
Description
This dataset contains the data used in the publication titled "Studying GPI zones in Al-Zn-Mg alloys by 4D-STEM" currently in review in Materials Characterization.
The data in this dataset are:
- Raw SPED data
- All structural models used in the density functional theory (DFT) calculations
The raw SPED data are given as .mib- and .hdr files and can be opened using e.g. the Python package HyperSpy. The jupyter notebook used to analyse the data is available from 10.5281/zenodo.5518852. A total of five SPED datasets were used in the analysis and are included in the .zip-file.
The DFT calculations are given in the OUTCAR files. OUTCAR1 contains all the information about the initial relaxation. OUTCAR2 contains all the information about the final relaxations steps at a higher accuracy than OUTCAR1. OUTCAR3 contains all the information about the accurate energy calculations.