Abstract
We have performed computer simulations based on tight binding to determine the probable dislocation dissociation reactions that will occur, and the preferred slip system, of TiC1.0 at 0 K. By calculating the barrier to the diffusion of carbon atoms in different directions, and by considering the effect of changes in local stoichiometry, we have produced a model for the deformation behaviour as a function of temperature. We find that, as observed experimentally, {110}〈110〉 slip is preferred at low temperatures. At intermediate temperatures in non-stoichiometric TiC we confirm that dislocations on {111} with Burgers vectors of (a/2) 〈110〉 will dissociate to form so-called ‘synchro-partials’, which will slip in preference to perfect dislocations on {110}. At high temperatures we predict that diffusion will result in {111} planes denuded of carbon on which the glide of Shockley partial dislocations will form the favoured slip system.
