Molecular dynamics simulation of the sintering of metallic nanoparticles

摘要

The sintering of two different-sized nickel nanoparticles is simulated by a molecular dynamics method in this work. The particles are partitioned into different regimes where tracing atoms are arranged to investigate the sintering kinetics. The detailed sintering process of two nanoparticles, 3.52 and 1.76 nm in diameter, respectively, is subsequently examined by the shrinkage ratio, gyration radius, mean square displacement, sintering diffusivity, and activation energy. A three-stage sintering scenario is established, and the layered structure shows a regime dependent behavior of diffusivity during the sintering process. Besides the surface diffusion, sintering of different-sized nanoparticles is found to be affected by a few other mechanisms.