A systematic computational study of the behavior of a ½<110> dissociated screw dislocation in face-centered cubic Ni was presented, in which atomic interactions were described through an embedded-atom potential. A suitable external stress was applied on the system, both for modifying the equilibrium separation distance d and moving the dislocation complex. The structure of the dislocation and its corresponding changes during the motion were studied in the framework of the two-dimensional Peierls model, for different values of the ratio d/a′, where a′ was the period of the Peierls potential. The distance between the edge and screw components of the partials, as well as their widths, undergo a modulation with period a′, as the dislocation moves, and the amplitudes of such oscillations were shown to depend on d/a′. The stress profile acting on the dislocation complex was analyzed and the effective Peierls stress was estimated for different values of d/a′.

Dissociated Dislocations in Ni - a Computational Study. P.Szelestey, M.Patriarca, K.Kaski: Materials Science and Engineering A, 2005, 390[1-2], 393-9