Effect of Composition on the Microstructure and Crystallization Behavior of Blast Furnace Slag Melts

This dataset provides the experimental and computational supporting data for the manuscript entitled "Effect of Composition on the Microstructure and Crystallization Behavior of Blast Furnace Slag Melts", which investigates the influence of basicity on the microstructure evolution and mineral precipitation behavior of blast furnace slags via a combination of experimental characterization and molecular dynamics simulations. IIt includes raw X-ray diffraction patterns, phase identification results of crystalline phases (melilite group, diopside, anorthite, merwinite and spinel), and quantitative crystallinity data obtained by the peak fitting method for slag samples with different basicities under a fixed cooling rate, as well as the final equilibrium atomic configurations at 1773 K and statistical data of structural descriptors (coordination number, bond angle distribution, Qⁿ structure unit distribution) from molecular dynamics simulations.