MD Simulation of Deformation and Fracture of 3C-SiC Crystal in Ultrafast Impact

As a method for creating high-hardness, high-toughness material surfaces using 3C-SiC (silicon carbide), the solid-phase particle layering method called aerosol deposition (AD) method has attracted more attention. The AD method involves accelerating microparticles or ultrafine particles at speeds exceeding several hundred meter per second into a beam and colliding them with a substrate to form a dense and highly adhesive film. In this study, we deploy the molecular dynamics (MD) simulation using Vashishta potential to observe deformation behavior, dislocations, and defects of single-crystal 3C-SiC models, where approximately 1 million atoms are subjected to uniaxial compression at high speed. In single-crystal models, we confirmed that dislocations originated from a phase considered to be a high-pressure phase.