READ ME File For 'Materials Informatics Study on Magnesium based Alloy Design Optimisation' Dataset DOI: 10.5258/SOTON/PG/D106 ReadMe Author: Haoran Yi, University of Southampton, ORCID ID: 0009-0003-6108-9889 This dataset supports the thesis entitled 'Materials Informatics Study on Magnesium based Alloy Design Optimisation' AWARDED BY: University of Southampton DATE OF AWARD: 2026 Date of data collection: November 2022 - August 2025 Information about geographic location of data collection: The data were collected at the University of Southampton, Southampton, United Kingdom. Licence: Creative Commons Attribution Related projects/Funders: UK Research and Innovation (UKRI) Future Leaders Fellowship grant No. MR/T019123/2 -------------------- DATA & FILE OVERVIEW -------------------- This dataset contains: quasi-in-situ electron backscatter diffraction (EBSD) data collected during interrupted annealing experiments on magnesium alloys. The files are provided in .ctf format and can be opened using EBSD analysis software such as Oxford Instruments AZtecCrystal, HKL Channel 5, MATLAB/MTEX, or other crystallographic data processing packages compatible with Channel Text File format. The dataset includes three EBSD time-series: 1. AZ31 recrystallisation dataset Files: AZ_1.ctf AZ_2.ctf AZ_3.ctf AZ_4.ctf AZ_5.ctf AZ_6.ctf AZ_7.ctf AZ_8.ctf AZ_9.ctf AZ_10.ctf Brief description: These files correspond to sequential quasi-in-situ EBSD scans of an AZ31 magnesium alloy sample during interrupted annealing. The files are ordered chronologically, with AZ_1.ctf representing the initial condition and subsequent files representing later annealing stages. 2. ZE20 recrystallisation dataset 1 Files: ZE_1_1.ctf ZE_1_2.ctf ZE_1_3.ctf ZE_1_4.ctf ZE_1_5.ctf ZE_1_6.ctf ZE_1_7.ctf ZE_1_8.ctf Brief description: These files correspond to the first quasi-in-situ EBSD annealing series of a ZE20 magnesium alloy sample. The files are ordered chronologically, with ZE_1_1.ctf representing the initial condition and subsequent files representing later annealing stages. 3. ZE20 recrystallisation dataset 2 Files: ZE_2_1.ctf ZE_2_2.ctf ZE_2_3.ctf ZE_2_4.ctf ZE_2_5.ctf ZE_2_6.ctf ZE_2_7.ctf Brief description: These files correspond to the second quasi-in-situ EBSD annealing series of a ZE20 magnesium alloy sample. The files are ordered chronologically, with ZE_2_1.ctf representing the initial condition and subsequent files representing later annealing stages. Relationship between files, if important for context: Within each dataset, the files form a time-resolved EBSD sequence collected from the same or closely relocated sample region during interrupted annealing. The numbering of each file indicates the chronological order of the annealing sequence. These datasets were used for grain-scale tracking of recrystallisation behaviour, including the identification of maintained, consumed, newly formed, shrinking and growing grains. Additional related data collected that was not included in the current data package: Additional processed grain-tracking outputs, MATLAB/MTEX scripts, derived statistical tables, figures and intermediate analysis files may have been generated during the thesis work but are not included in this dataset package. If data was derived from another source, list source: The data were generated experimentally by quasi-in-situ EBSD characterisation. They were not derived from external datasets. If there are multiple versions of the dataset, list the file updated, when and why update was made: Not applicable. This is the first deposited version of the dataset. -------------------------- METHODOLOGICAL INFORMATION -------------------------- Description of methods used for collection/generation of data: The data were collected using a quasi-in-situ EBSD approach. Magnesium alloy samples were cold deformed and then subjected to interrupted annealing. After each annealing step, the same region of interest was relocated and characterised by EBSD. This procedure enabled the microstructural evolution during recrystallisation to be captured as a time-resolved sequence. The AZ31 dataset corresponds to a Mg–3Al–1Zn alloy. The ZE20 datasets correspond to Mg–2.4Zn–0.2Ce alloy samples. These datasets were used to study recrystallisation behaviour and crystallographic texture evolution in conventional and rare-earth-containing magnesium alloys. Methods for processing the data: The .ctf files were exported from EBSD acquisition software and used as input data for grain reconstruction and tracking. EBSD data processing included grain reconstruction, removal or treatment of non-indexed points, calculation of grain properties, and grain-scale correlation between consecutive maps. Grain tracking was performed using the Track-Rex toolbox developed during the associated PhD project. The tracking procedure correlates grains between consecutive EBSD maps using spatial, crystallographic and morphological information, allowing individual grains to be followed through the annealing sequence. Software- or Instrument-specific information needed to interpret the data, including software and hardware version numbers: The EBSD data are provided in .ctf format. They can be read using: Oxford Instruments AZtecCrystal Oxford Instruments/HKL Channel 5 MATLAB with MTEX Other EBSD software compatible with .ctf files Software versions used in the thesis work: MATLAB; MTEX; AZtecCrystal; Channel 5 Standards and calibration information, if appropriate: Standard EBSD calibration and indexing procedures were used during acquisition. The crystallographic phase was α-Mg with a hexagonal close-packed crystal structure. Any further calibration information should be taken from the original EBSD acquisition metadata stored in the .ctf files. Environmental/experimental conditions: The samples were subjected to interrupted annealing treatments. The detailed annealing temperature, time and processing conditions are described in the associated thesis. The EBSD scans were collected after each interruption to capture the progressive recrystallisation process. Describe any quality-assurance procedures performed on the data: The same region of interest was relocated between annealing steps using quasi-in-situ procedures. Data quality was assessed through EBSD indexing quality, grain reconstruction reliability and consistency between consecutive maps. Grain-tracking results were checked using spatial continuity, misorientation consistency and local microstructural context. People involved with sample collection, processing, analysis and/or submission: Haoran Yi, University of Southampton Dikai Guan, University of Southampton -------------------------- DATA-SPECIFIC INFORMATION -------------------------- File set: AZ_1.ctf to AZ_10.ctf Number of variables: Variable numbers depend on the .ctf file structure and may include spatial coordinates, Euler angles, phase, band contrast, band slope, mean angular deviation and other EBSD indexing metrics. Number of cases/rows: The number of rows varies between files and corresponds to the number of EBSD measurement points/pixels in each scan. Variable list, defining any abbreviations, units of measure, codes or symbols used: Typical .ctf variables include: X, Y: spatial coordinates of EBSD measurement points Euler1, Euler2, Euler3: crystallographic orientation expressed as Euler angles Phase: indexed crystallographic phase BC: band contrast BS: band slope MAD: mean angular deviation MAG: magnification or related acquisition parameter, depending on export format Missing data codes: Non-indexed points may be recorded using phase value 0 or other software-specific non-indexed markers, depending on the .ctf export settings. Specialized formats or other abbreviations used: .ctf: Channel Text File, an EBSD data format commonly exported from Oxford Instruments/HKL software. EBSD: electron backscatter diffraction. AZ31: Mg–3Al–1Zn magnesium alloy, nominal composition in wt.%. RX: recrystallised. GB: grain boundary. Date that the files were created: May, 2023 ⸻ File set: ZE_1_1.ctf to ZE_1_8.ctf Number of variables: Variable numbers depend on the .ctf file structure and may include spatial coordinates, Euler angles, phase, band contrast, band slope, mean angular deviation and other EBSD indexing metrics. Number of cases/rows: The number of rows varies between files and corresponds to the number of EBSD measurement points/pixels in each scan. Variable list, defining any abbreviations, units of measure, codes or symbols used: Typical .ctf variables include: X, Y: spatial coordinates of EBSD measurement points Euler1, Euler2, Euler3: crystallographic orientation expressed as Euler angles Phase: indexed crystallographic phase BC: band contrast BS: band slope MAD: mean angular deviation Missing data codes: Non-indexed points may be recorded using phase value 0 or other software-specific non-indexed markers, depending on the .ctf export settings. Specialized formats or other abbreviations used: .ctf: Channel Text File. EBSD: electron backscatter diffraction. ZE20: Mg–2.4Zn–0.2Ce magnesium alloy, nominal composition in wt.%. RX: recrystallised. SB: shear band. GB: grain boundary. Date that the files were created: October, 2023 ⸻ File set: ZE_2_1.ctf to ZE_2_7.ctf Number of variables: Variable numbers depend on the .ctf file structure and may include spatial coordinates, Euler angles, phase, band contrast, band slope, mean angular deviation and other EBSD indexing metrics. Number of cases/rows: The number of rows varies between files and corresponds to the number of EBSD measurement points/pixels in each scan. Variable list, defining any abbreviations, units of measure, codes or symbols used: Typical .ctf variables include: X, Y: spatial coordinates of EBSD measurement points Euler1, Euler2, Euler3: crystallographic orientation expressed as Euler angles Phase: indexed crystallographic phase BC: band contrast BS: band slope MAD: mean angular deviation Missing data codes: Non-indexed points may be recorded using phase value 0 or other software-specific non-indexed markers, depending on the .ctf export settings. Specialized formats or other abbreviations used: .ctf: Channel Text File. EBSD: electron backscatter diffraction. ZE20: Mg–2.4Zn–0.2Ce magnesium alloy, nominal composition in wt.%. RX: recrystallised. SB: shear band. GB: grain boundary. Date that the files were created: January, 2024