Stacking Faults and Dislocation Dissociation in MoSi2

Abstract

AbstractThe intermetallic compound MoSi2 crystallises in the body-centred-tetragonal C11b structure and while it is brittle when loaded in tension, it deforms plastically in compression even at and below the room temperature. The ductility of MoSi2 is controlled by the mobility of 1/2〈331] dislocations on {013) planes but the critical resolved shear stress for this slip system depends strongly on the orientation of loading and it is the highest for compression along the 〈001] axis. Such deformation behaviour suggests that the dislocation core is controlling the slip on the {013)〈331] system. Since the most important core effect is dissociation into partial dislocations connected by metastable stacking faults the first goal of this paper is to ascertain such faults. This is done by employing the concept of the γ-surface. The γ-surfaces have been calculated for the (013) and (110) planes using a method based on the density functional theory. While there is only one possible stacking fault on the (110) plane, three distinct stacking faults have been found on the (013) plane. This leads to a variety of possible dislocation splittings and the energetics of these dissociations has been studied by employing the anisotropic elastic theory of dislocations. The most important finding is the non-planar dissociation of the 1/2〈331] screw dislocation that is favoured over the planar splittings and may be responsible for the orientation dependence of the critical resolved shear stress for the {013)〈331] slip system.