A kinetic Monte Carlo simulation method was presented for the modelling of screw dislocation motion in body-centered cubic metals at μ-s scales. Atomistic simulations of core mechanisms at the Å-ps scale were used as inputs. The simulations used atomistic inputs such as the double-kink nucleation energy and the kink mobility, included linear elastic Peach-Koehler interactions between dislocation segments, and predicted the overall dislocation velocity at various temperatures and stress states. An important mechanism (spontaneous super-jog growth and debris loop nucleation) was identified in the kinetic Monte Carlo simulation as being a key factor which controlled dislocation motion in the high-stress and medium-temperature regime.

Kinetic Monte Carlo Modelling of Dislocation Motion in BCC Metals. W.Cai, V.V.Bulatov, S.Yip, A.S.Argon: Materials Science and Engineering A, 2001, 309-310, 270-3