A unified model of grain-boundary segregation kinetics.

A unified model of grain-boundary segregation kinetics is established, which can simulate the equilibrium and non-equilibrium grain-boundary segregation kinetics during isothermal ageing. The results of model fittings/predictions are in a good consistence with those of the experiments. Values of several important parameters, such as vacancy formation energy, vacancy migration energy, and complex migration energy derived by model fittings, show a reasonably good agreement with those in the references. Relationship between the equilibrium and non-equilibrium grain-boundary segregation mechanisms is discussed in detail. The segregation peak/depletion trough observed in the non-equilibrium segregation kinetics may be ascribed to the vacancy flux. The equilibrium segregation kinetics is considered as a special case in non-equilibrium segregation kinetics with the zero vacancy flux. Both the equilibrium and non-equilibrium segregation kinetics are believed to be dominated by vacancy-solute complex flux. The proposed unified model can be a significant progress in grain-boundary segregation theory, with applications in guiding the design of materials. [ABSTRACT FROM AUTHOR]