Anisotropy and Quantitative Prediction of Grain Boundary Segregation

Abstract

Knowledge of grain boundary properties is crucial for many applications in materials science. In this contribution we summarize fundamentals of grain boundary segregation with focus on its structural anisotropy. Grain boundary segregation is described on the basis of Langmuir–McLean approach dealing with the thermodynamic parameters of segregation which can be used for further generalization. Some consequences of anisotropy of grain boundary segregation are illustrated, such as grain boundary segregation diagram and enthalpy–entropy compensation effect, both of which can serve for prediction of thermodynamic parameters of grain boundary segregation as documented for bcc iron and steels.