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

Calculated stacking-fault energies of elemental metals.

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...

Cascade morphology transition in bcc metals.

Energetic atom collisions in solids induce shockwaves with complex morphologies. In this paper, we establish the existence of a morphological transition in such cascades. The order parameter of the morphology is defined as the exponent, b, in the defect production curve as a function of cascade energy (N(F) ~ E(MD)(b)). Response of different bcc metals can be compared in a consistent energy dom...