Surface melting and sintering of metallic nanoparticles.
The melting and sintering of two different-sized metallic nanoparticles are simulated by a molecular dynamics method in this work. The particles are partitioned into different regimes where tracing atoms are arranged to investigate the melting and sintering kinetics. The melting of individual particles is firstly investigated and compared with established studies, where the size-dependent melting depression and surface melting phenomenon are revealed. The detailed sintering process of two nickel nanoparticles, 3.52 and 1.76 nanometers in diameter respectively, is subsequently examined by the gyration radius, mean square displacement (MSD), root mean square displacement (RMSD), sintering diffusivity and activation energy. A three-stage sintering scenario is illustrated, and the layered structure shows the regime dependent behavior of diffusivity during the sintering process. Beside the surface diffusion, sintering of different-sized nanoparticles is found to be affected by a few other mechanisms.
School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, UK.
Pengxiang
P
Song
Dongsheng
D
Wen