Orientation-dependent response of defective Tantalum single crystals

Abstract

Defective Tantalum monocrystals are expected to display a particularly rich behavior when stressed along different directions. Using molecular dynamics simulations, we model Ta monocrystals containing a single spherical void of different sizes, under uniaxial compression, for two empirical potentials. Differences on the yield point, dislocation generation and plastic heating are observed depending on the void size and stress direction, as distinct slip systems are activated, resulting in a variety of dislocation structures and mobilities.