Simulation and Experimental Study of the Multisized Silver Nanoparticles Sintering Process Based on Molecular Dynamics

Multisized nanoparticles (MPs) are widely employed as electronic materials to form conductive patterns, benefitting from their excellent sintering properties and mechanical reliability. However, due to the lack of effective detection methods for the real-time sintering process, it is difficult to reveal the sintering behavior during the MPs sintering process. In this work, a molecular dynamics method is used to track the trajectory of silver atoms. The melting behavior of a single nanoparticle (SP) is first discussed. The structural evolution of equally sized nanoparticles (EPs) and unequally sized nanoparticles (UPs) during the sintering process is analyzed alongside morphology changes. It is proposed that the UPs sintering process benefits from the wetting behavior of small-sized nanoparticles on the surface of large-sized nanoparticles, and the sintering angle (theta) is proposed as an index to estimate the sintering result of UPs. Based on the works above, three basic sintering modes and one advanced sintering mode in the MP sintering process are analyzed emphatically in this paper, and the roles of different-sized nanoparticles in MPs are concluded from simulation and experimental results. This work provides theoretical support for conductive ink composition design and sintering process optimization.