First-principles modeling of superlattice intrinsic stacking fault energies in Ni3Al based alloys

First-principles Calculations of Twin-boundary and Stacking-fault Energies in Magnesium

The interfacial energies of twin boundaries and stacking faults in metal magnesium have been calculated using first-principles supercell approach. Four types of twin boundaries and two types of stacking faults are investigated, namely, those due to the (1011) mirror reflection, the (1011) mirror glide, the (1012) mirror reflection, the (1012) mirror glide, the I1 stacking fault, and I2 stacking...

Generalized stacking fault energy, ideal strength and twinnability of dilute Mg-based alloys: A first-principles study of shear deformation

In an effort to establish a scientific foundation for the computational development of advanced Mg-based alloys, a systematic study of the generalized stacking fault (GSF) energy curves has been undertaken. Additionally, the associated stable and unstable stacking and twinning fault energies, ideal shear strengths, and comparative twinnability have been investigated in terms of first-principles...

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.