A new approach was presented, for the calculation of generalized stacking-fault energies, which allowed for the in-plane relaxation of atoms. When applied to {11▪2} slip planes in hexagonal close-packed materials, this approach predicted that a stable stacking fault occurred which was associated with a slip of 1/6<11▪¯3>. This was equivalent to: ½<c+a>. It was consistent with the breaking up of an edge dislocation, with b = <c+a>, into 2 partial dislocations; each with b = ½<c+a>, as observed in previous simulations of dislocation cores. It was suggested that the resultant generalized stacking-fault energy profile might be useful in clarifying the competition between {11▪2}<11▪¯3> twinning, as observed in Zr and Ti, and the related slip mode which was observed in Mg, Co and Zn.

Prediction of a {11¯22} HCP Stacking Fault using a Modified Generalized Stacking-Fault Calculation J.R.Morris, J.Scharff, K.M.Ho, D.E.Turner, Y.Y.Ye, M.H.Yoo: Philosophical Magazine A, 1997, 76[5], 1065-77