Metallurgical Abstracts on Light Metals and Alloys vol.54
Data on atomic structures of precipitates in an Al-Mg-Cu alloy studied by high resolution transmission electron microscopy and first-principles calculations
Xuanliang Chen*, Calin D. Marioara**, Sigmund J. Andersen**, Jesper Friis**, Adrian Lervik***, Randi Holmestad*** and Equo Kobayashi*
*Department of Materials Science and Engineering, Tokyo Institute of Technology, 2-12-1-S8-18, Ookayama, Meguro-ku, Tokyo 152-8552, Japan
**Materials and Nanotechnology, SINTEF Industry, Høgskoleringen 5, N-7465, Trondheim, Norway
***Department of Physics, Norwegian University of Science and Technology (NTNU), Høgskoleringen 5, N-7491 Trondheim, Norway
[Published in Data in Brief, Vol. 34 (2021), pp. 106748]
https://doi.org/10.1016/j.dib.2021.106748
Key Words：Aluminum alloys, Precipitation, Transmission electron microscopy, Density functional theory calculation, Atomic models
The dataset refers to the research article “Precipitation processes and structural evolutions of various GPB zones and two types of S phases in a cold-rolled Al-Mg-Cu alloy”. Transmission electron microscopy (TEM) and density functional theory (DFT) were used to investigate precipitates in an Al-Cu-Mg alloy aged at 443 K for various times. High-angle annular dark-field scanning TEM (HAADF-STEM) images in <100> Al orientations were analyzed. Characteristic contrast and symmetries of columns yielded atoms and positions, used to build precipitate models which could be refined and compared with solid solution reference energies. A calculation cell is an Al supercell compatible with symmetry and morphology of a precipitate, which is fully or partly surrounded by Al, allowing periodicity continuation via neighbor cells. The given crystallographic data include two S-phase variants and Guinier-Preston-Bagaryatsky (GPB) zones, of which the “GPBX” is new.
S-I and S-II phases as well as GPBX zones were observed by HAADF-STEM, their atomic structures were determined.