Size-dependent thermal properties and sintering behaviors of silver nanoparticles: insights from molecular dynamics simulation

Silver nanoparticles are widely utilized in printed electronics for forming conductive lines due to their exceptional electrical conductivity, resistance to oxidation, and mechanical reliability. Molecular dynamics simulations are employed to monitor real-time sintering behavior at the atomic scale. This feat is challenging to achieve through experimental means. Thermal properties, including melting points and sintering behaviors, are theoretically characterized across a range of particle sizes (from 3 nm to 20 nm). This study analyzes the melting behavior of multi-sized silver nanoparticles and simulates the structural evolution and morphology changes during the sintering process. The simulations reveal noteworthy phenomena, such as variations in melting points, gyration radii, and mean square displacements based on different particle sizes. Additionally, an optimal sintering temperature is determined through shrinkage coefficient calculations. These simulation outcomes shed light on phenomena at the atomic level, presenting a theoretical foundation for optimizing conductive ink formulation and refining sintering conditions.