Influence of shear strain on magnesium impurity atom distribution in aluminum

An aluminum crystallite containing 500 atoms with an effective dual interaction potential computed within the framework of the theory of pseudopotential was modeled by using the method of molecular dynamics. The binding energies of complexes from impurity magnesium atoms and vacancies as well as the migration activation energies (MA) of the magnesium and aluminum atoms were computed under shear strain conditions. It is shown that shear strain results in separating out of the individual directions energetically most favorable for the formation of complexes of impurity atoms and vacancies, as well as the directions in which the MA energy values are lowered.