Early stages of sintering of silicon nitride nanoclusters: A molecular-dynamics study on parallel machines

Sintering of Si3N4 nanoclusters is investigated with the molecular-dynamics approach. At 2000 K thermally rough nanocrystals develop an asymmetric neck in 100 picoseconds. The neck contains more fourfold than threefold coordinated Si atoms. Amorphous nanoclusters develop a symmetric neck which has nearly equal number of threefold and fourfold coordinated Si atoms. In both cases, sintering is driven by surface diffusion of Si and N atoms. The diffusion is much more rapid in the neck joining amorphous nanoclusters than in the neck region of nanocrystals.