An insight into sintering mechanisms of silicon carbide nanoparticles with additives using MD simulation

The effect of sintering additives on the sintering of SiC nanoparticles is studied by MD simulation. A new potential function is developed based on the lattice size theory. The Al-Si-C element system, Ti-Si-C element system, and V-Si-C element system are simulated and compared. MD simulation can be used to select the sintering additives of SiC ceramics and Al is better by atomic diffusion analysis. The nanoparticle sintering evolution processes with/without aluminum are studied in detail and compared with the typical sintering experimental results. The sintering mechanisms of nanoparticles are quantitatively analyzed by sintering neck growth, energy evolution, and atomic diffusion. The results show that it is beneficial for selecting an appropriate temperature to obtain the highest sintering promotion effect with additives. Kinds of sintering mechanisms are summarized and in good agreement with the traditional sintering theory. The results here are helpful to understand the sintering underlying mechanism of SiC ceramics.