Computer simulation of the interaction of vacancies with the special tilt grain boundaries

In this paper, a computer simulation of [1 0 0] tilt grain boundaries in Al is described. The atomic interaction was approximated by Morse’s empirical potential. The reconstruction of the atomic structure of grain boundaries (6Bs) the absorption and emission of vacancies was studied. The energetical spectrums of GB states were calculated. The possibility of grain boundary slip was analysed by the construction of the γ-surface. The mechanism of grain boundary slip along special GBs was suggested. Burgers vectors of the grain boundary dislocations were determined.