Molecular dynamics simulation of Ni/Cu-Ni nanoparticles sintering under various crystallographic, thermodynamic and multi-nanoparticles conditions

摘要

Molecular dynamics simulation has been used to investigate the sintering process of Ni/Cu-Ni nanoparticles systems. In this regard, at first, the sintering process of two nanoparticles is studied. Then, a multi-nanoparticles system was chosen to investigate the stimulated real sintering process. Crystallographic orientation, temperature and element dissimilarity effects on the final morphology and mechanisms of two nanoparticles sintering are discussed as key physical factors. The results show that high sintering temperatures can lead to the plastic deformation domination on sintering mechanism in spite of the surface diffusion and co-crystallographic orientation nanoparticles have a great opportunity to shrink by plastic deformation. Dissimilar element nanoparticles sintering investigation shows that, the elements with lower melting point have a significant portion in diffusion and final morphology will be specified by these elements due to the higher diffusion rate of them.