Molecular dynamics simulation of damage cascade creation in SiC composites containing SiC/graphite interface

Abstract

Silicon carbide composites have been investigated for their use as structural materials for advanced nuclear reactor designs. Although the composites have significantly enhanced mechanical properties and structure integrity, there is little known about the behavior of defects in the presence of a graphite-silicon carbide interface. In this study, molecular dynamics simulations have been used to model defect creation and clustering in a composite containing a SiC/graphite interface. Evolution of displacements as a function of time were studied and compared to bulk SiC. The results show that the first a few SiC atomic layers closest to the interface are easily damaged. However, beyond these first few atomic layers the system appears to be unaffected by the SiC interface.