The effects of the substitutional element Cu in solution in α-Fe on glide of a ½<111>{110} edge dislocation were investigated by means of atomic-scale computer simulation. Under static conditions (T = 0K), single Cu atoms and nearest-neighbor pairs in the first atomic plane below the dislocation slip plane provided the strongest barrier to slip, in partial agreement with continuum theory. This contrasts with recent simulation results for the Ni–Al face-centered cubic alloy, where Al atoms displaced into nearest-neighbor coordination across the slip plane form the strongest obstacles. The dynamics of dislocation glide in Fe–Cu solid solution at T > 0K were determined as a function of solute concentration. Parameters such as velocity, critical stress and drag coefficient were analyzed. Again, there were differences from the Ni–Al system. The results were explained in terms of the static strength of solute configurations and the different crystal structure of Fe and Ni.

Computer Simulation of Dislocation–Solute Interaction in Dilute Fe–Cu Alloys. K.Tapasa, D.J.Bacon, Y.N.Osetsky: Modelling and Simulation in Materials Science and Engineering, 2006, 14[7], 1153-66