Abstract
Thermal stability of the amorphous-like structure in high-energy grain boundaries of Si and SiC systems is studied using empirical and tight-binding molecular dynamics method. The time evolution of thickness of the disordered grain boundaries is compared for different empirical interatomic potentials for Si such as Stillinger-Weber model and Tersoff model. The comparison is also made with tight-binding model for Si by Kwon et al.. We find all models give same results on stable thickness Σ=5 of the grain boundary. The detailed analyses for several types of boundaries of Si and SiC grain boundaries will also be presented.
