Generalized Stacking Fault Energies of Aluminum Alloys–Density Functional Theory Calculations

Generalized-stacking-fault energy surface and dislocation properties of aluminum

We have employed the semidiscrete variational generalized Peierls-Nabarro model to study the dislocation properties of aluminum. The generalized-stacking-fault ~GSF! energy surface entering the model is calculated by using first-principles density functional theory ~DFT! and the embedded-atom method ~EAM!. Various core properties, including the core width, dissociation behavior, energetics, and...

Generalized stacking fault energy surfaces and dislocation properties of aluminum

We have employed the semidiscrete variational generalized Peierls-Nabarro model to study the dislocation core properties of aluminum. The generalized stacking fault energy surfaces entering the model are calculated by using first-principles Density Functional Theory (DFT) with pseudopotentials and the embedded atom method (EAM). Various core properties, including the core width, splitting behav...

Calculated stacking-fault energies of elemental metals.

Stacking Fault Energies of Tetrahedrally Coordinated Crystals

The energies of the intrinsic stacking fault in 20 tetrahedrally coordinated crystals, determined by electron microscopy from the widths of extended dislocations, range from a few mJ/m to 300 mJ/m. The reduced stacking fault energy (RSFE: stacking fault energy per bond perpendicular to the fault plane) has been found to have correlations with the effective charge, the charge redistribution inde...

Simple model of stacking-fault energies.