Super-dislocation core structures in L12 Ni3Al were determined on the basis of ab initio generalized stacking-fault energy calculations. Super-dislocation dissociation schemes, separations of partials and core widths were calculated within the modified Peierls¯Nabarro model, with a ab initio generalized stacking fault parameterization. The calculated super-dislocation core structure parameters were found to be in agreement with available experimental data. A super-dislocation core with type-I (fourfold) dissociation was found to be stable, and energetically preferred.

Super-dislocation Core Structure in L12 Ni3Al, Ni3Ge and Fe3Ge – Peierls-Nabarro Analysis Starting from ab initio GSF Energetics Calculations. O.N.Mryasov, Y.N.Gornostyrev, M.Van Schilfgaarde, A.J.Freeman: Acta Materialia, 2002, 50[18], 4545-54