To the calculations of interactions of impurity atoms with grain boundaries

Techniques for calculation of qualitative characteristics of impurity atoms interaction with grain boundaries in metals, based on three independed models: liquid, solution and lattice, are suggested. Binding energies for different substitutional impurities with boundaries in Cr and Ti are obtained. Temperature dependences of impurity concentration deviations at grain boundaries from their mean volume values in Ti-Mo system, are calculated. Possibility and necessity of combined use of different model representations during investigation of separate segregation phenomena aspects are shown