Extended KKS phase-field model of Si precipitation in LPBF AlSi10Mg — simulation data
Abstract
Simulation outputs of the extended Kim–Kim–Suzuki (KKS) phase-field model for Si precipitation in laser powder bed fused (LPBF) AlSi10Mg, accompanying the article Extension of a phase-field KKS model to predict the microstructure evolution in LPBF AlSi10Mg alloy submitted to non isothermal processes, Computational Materials Science 244 (2024), 113197. The dataset contains seven archived runs: a 1420 × 1420 grid heated from 400 to 719 K (30,000 steps, including an additional vacancy-fraction map); four 735 × 735 runs heated from 400 K to approximately 739 K (70,000 steps, used for the DSC curve), 700 K (36,842 steps), 671 K (30,000 steps), and 708 K (30,000 steps); a reproducible 735 × 735 run heated from 400 to 723 K (30,000 steps); and an isothermal 735 × 735 nucleation run at 438 K (76,531 steps). Grid spacing is 0.5 nm. Maps are NumPy .npz files containing the fields X, X_al, X_th and eta (Si molar fractions and phase-field order parameter), of shape (nx, ny, 1), plus histories of time, temperature, mean concentrations, phase fraction and interface measure. The filename value ttime is bookkeeping time; time_out records physical time in seconds. All data files are unchanged, byte-identical copies of files formerly stored in the original code repository at commit 09d2ac141ddddf8388a991c770c6642f8ff91366, or extracted byte-for-byte from its original ReproducibleRun.zip. Duplicate copies are stored once. No simulation data were regenerated. Nineteen maps_*.zip archives preserve maps/ / paths; the 1420-grid run is split into 13 parts of at most 180 MB for reliable transfer. figures.zip and inputs.zip include rendered microstructures, supplementary animation, material tables and initial precipitate inputs. ReproducibleRun.zip is supplied unchanged. README.md explains extraction, MANIFEST.tsv records each data file’s source, size, SHA256 and uploaded archive, and CHECKSUMS.sha256 verifies the uploaded files. Code repository: https://github.com/SFETNI/Extended-Kim-Kim-Suzuki-KKS--Phase-Field-model-for-prediction-of-Materials-Properties.
