Calculated stacking-fault energies of elemental metals

Calculated stacking-fault energies of elemental metals.

Stacking - fault energies in simple metals : applications to BCC metals

We present a general method for calculating the stacking-fault energy in simple metals, and then we apply this to the ( 1 1 2 ) faults in body-centred cubic (BCC) metals. Our method contains no approximations for a given wavenumber characteristic (or equivalently the pair potential). Our results show that metastable faults do indeed exist in the simple BCC metals (Li, Na. K, Rb, Cs, Ca. Sr, Ba)...

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.

Š110‹ symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies

Twenty-one ^110& symmetric tilt grain boundaries ~GB’s! are investigated with atomistic simulations, using an embedded-atom method ~EAM! potential for a low stacking-fault energy fcc metal. Lattice statics simulations with a large number of initial configurations are used to identify both the equilibrium and metastable structures at 0 K. The level of difficulty in finding the equilibrium struct...