Computer simulations which were based upon tight binding were performed in order to determine the probable dislocation dissociation reactions that could occur, and the preferred slip system at 0K. By calculating the barrier to the diffusion of C atoms in various directions, and by considering the effect of changes in local stoichiometry, a model was produced for the deformation behavior as a function of temperature. It was found that, as observed experimentally, {110}<1¯10> slip was preferred at low temperatures. At intermediate temperatures, in non-stoichiometric samples, it was confirmed that dislocations on {111}, with Burgers vectors of (a/2)<1¯10>, would dissociate and form so-called synchro-partials. These would slip in preference to perfect dislocations on {110}. It was predicted that, at high temperatures, diffusion would result in {111} planes - denuded of C - on which the glide of Shockley partial dislocations would constitute the favoured slip system.

Computer Modelling of Slip in TiC. R.M.Harris, P.D.Bristowe: Philosophical Magazine A, 1999, 79[3], 705-21