A general scheme was presented for analyzing the structure and mobility of dislocations. It was based upon solutions of the Peierls-Nabarro model, with a 2-component displacement field and a restoring force that was determined by ab initio generalized stacking-fault energetics. This approach was used to investigate dislocations in L10 compounds, and predicted differences in the unit dislocation properties were explicitly related to features of the γ-surface geometry. A unified description of compact, spread and split dislocation cores was achieved, and an important characteristic dissociation path was identified. The exact path proved to be an essential feature of the 2-dimensional Peierls-Nabarro model, and was an important characteristic for understanding dislocation-dissociation processes and related mechanical properties.

Generalized Stacking-Fault Energetics and Dislocation Properties: Compact versus Spread Unit-Dislocation Structures in TiAl and CuAu. O.N.Mryasov, J.N.Gornostyrev, A.J.Freeman: Physical Review B, 1998, 58[18], 11927-32