Distribution of solute atoms in nanocrystalline materials

Abstract The distribution of solute concentration in nanocrystalline materials was studied, and the relationship among the nominal solute concentration, the solute concentration in grain interior and at grain boundaries, and the grain size was expressed. Solute distribution in Fe–P and Au–Cu alloys as examples are calculated and the calculated results indicate that the solute concentration both in grain interior and at grain boundary will markedly decrease with the decrease of grain size. Furthermore, the theoretical investigations for Fe–C and Al–Cu alloys reveal that the decrease of grain size, especially in nanometer scale, can significantly depress the precipitation temperature and increase the solubility of solute atom in nanocrystalline materials.