Transition of nc-SiC powder surface into grain boundaries during sintering by molecular dynamics simulation and neutron powder diffraction

We report a structural analysis of experimental nc-SiC ceramics with grain sizes ranging from 7 nm to 11 nm in diameter and computer generated samples of similar grain sizes. Pair Distribution Functions (PDFs) of real and virtual samples sintered under different pressures are compared. The standard size-strain methods are applied to the simulated models and the results are discussed. Presented model is the first step toward atomistic understanding of the processing-structure relations and atomic-level interpretation of diffraction patterns for nanoceramics.