Effect of Segregation of Sc, Y and La Atoms on Prenucleation at the Liquid-Al/γ-Al2O3{1 1 1} Interfaces

γ-Al2O3 particles form inevitably in liquid Al- alloys during liquid-handling and casting processes. Such oxide may act as potential nucleation sites solidification. Recent research revealed that native exhibit different potency for nucleating solid Al, which reduce the number of liquid. Chemical segregation at liquid/oxide interface modify substrates’ potency. In this paper, we investigated prenucleation Al(l)/γ-Al2O3 with Sc, Y La (Group 3) atoms using an ab initio molecular dynamics simulation technique. Our results a reconstruction Al adjacent to substrates consequently rough substrate surface. Present investigation opens new path manipulating solidification processes via chemical liquid/substrate interface.