Simulation of the buffer-IPyC interface cell from the TRISO nuclear fuel with LAMMPS

The main advantage of the Tristructural Isotropic (TRISO) fuel is its four-layer coating, which prevents the release of fission products during reactor operation. Studies have shown that the behavior of the buffer-IPyC interface plays a crucial role in maintaining the integrity of the TRISO particle. In this study, we use molecular dynamics simulations to investigate the interface between these two structures and to provide insight into the atomic-level mechanisms responsible for irradiation-induced changes in the graphite-based structures. We identify the underlying mechanisms leading to swelling of the IPyC layer and reveal the effect of the interface on defect formation in the differing structures of the buffer and IPyC layers.