Stacking Fault in Non-Close Packed System- Role of Interstitials at Pentahedron Voids in WC Simple Hexagonal

Atomistic origin of stacking faults in non-close packed systems is a fundamentally distinct mechanism from the well-known close packed structures with ABC stacking, and represents an uncharted territory in material research. According to experimental data, stacking faults in simple hexagonal WC happen in {1-100} planes that are packed rectangularly and have ABAB stacking. This work identified the type of the defect and crystallographic behaviour by creating energetically relaxed potential atomistic models of stacking faults in WC. Experimental evidence supporting the rotation axis along stacking fault caused by variation in carbon ordering at the interstitial site has been established, in accordance with the theoretical model.