The dissolutive wetting behavior between liquid iron and carbonaceous materials: Experiment and ReaxFF molecular dynamics simulation

•The wettability of molten iron on the graphite prism plane is better than that of the graphite basal plane.•The wetting process of molten iron on the graphite basal plane is different from that on the graphite prism plane.•The iron atoms in contact with the incomplete carbon structure will exhibit a cluster structure.•The exfoliation of carbon atoms in the basal model is more complicated than that in the prism model.