Phase-field simulation output with OntoMS-PF and RO-Crate metadata: PACE3D case plainStrain_1300_xy (304L stainless steel, 1300 °C)

This dataset is the output of a two-dimensional phase-field simulation performed with the PACE3D solver. The run models an established dendritic microstructure in an iron-chromium-nickel-carbon alloy, representative of 304L stainless steel, under an imposed mechanical load. Three phases are resolved on a 198×198×1 grid: two body-centered-cubic ferrite phases and a liquid. The loading is displacement-controlled under plane-strain conditions and induces macroscopic shear in the xy-direction; the number 1300 in the case name is the temperature in degrees Celsius, which sets the yield strength used in the run. The folder contains the saved input file, the solver's raw field outputs (phase fields, phase index, temperature, and the mechanical fields for displacement, strain, plastic strain, von Mises stress, and energy), a post-processing script, and one converted visualization frame. Alongside the data, an RO-Crate metadata file (ro-crate-metadata.json) describes the folder in a machine-readable form. It links each part to defined terms from the OntoMS-PF domain ontology, so the meaning of every file and configuration value can be looked up rather than inferred. The crate records the provenance of the run, including the solver build, the input file, the compute environment, and the relation between the raw outputs and the derived visualization frame.