Special [100] tilt grain boundaries in iron: A segregation study

A systematic study of solute segregation in numerous bicrystals of an Fe-3.5at.%Si alloy enabled us to find all special [100] tilt grain boundaries. Various plots of segregation enthalpy vs. grain boundary orientation were compared to the grain boundary plane classification. From the correlation obtained we conclude that the {012}, {013} and {015} symmetrical, and (001)/(013) and all (011)/(0kl) asymmetrical grain boundaries are special. All other (001)/(0kl) asymmetrical boundaries exhibit low tendencies to solute segregation and can be considered as vicinal interfaces.