Large-scale atomistic simulations were made of the migration of elementary jogs on dissociated screw dislocations in Cu. The local crystalline configurations, transition paths, effective masses and migration barriers for the jogs were determined by using an interatomic potential which was based upon effective medium theory. The minimum-energy path through configuration space, and the corresponding transition state energy, were obtained by using the nudged elastic band path technique. Very similar migration properties were found for elementary jogs on the (110){111} octahedral slip systems and the (110){110} non-octahedral slip systems; with energy barriers ranging from 0.015 to 0.019eV.

Atomistic Simulations of Jog Migration on Extended Screw Dislocations. T.Vegge, T.Leffers, O.B.Pedersen, K.W.Jacobsen: Materials Science and Engineering A, 2001, 319-321, 119-23