Influence of C, N, O impurity atoms and free volume on the migration velocity of tilt boundaries in nickel: Molecular dynamics simulation

Abstract

The influence of impurity atoms of light elements C, N, O and free volume on the migration velocity of high-angle tilt boundaries with misorientation axes <100> and <111> in nickel were studied by the molecular dynamics method. It is shown that the introduction of impurity atoms of light elements leads to a significant inhibition of the migration of grain boundaries. The dependence of the migration velocity of grain boundaries on the free volume is nonmonotonic and has a maximum at a concentration of vacancies introduced at the initial stage of about 1%.