Molecular dynamics simulation of sintering of Cu and Au nanoparticles

Abstract

Particle coalescence has wide applications in nature and industry. In this study, molecular dynamics (MDs) simulations were employed to examine the sintering of Cu and Au nanoparticles, as well as two other systems, namely, Cu nanoparticles and Au nanoparticles. The results suggested that, the Au atoms diffused through the outer area of the sintering neck before the nanoparticles were fused into one sphere. The possible reason was that the Au atoms resembled fluid, which could be ascribed to the local thermal energy at the contact area. Typically, the change in energy per atom from 300 K to the contact temperature denoted that less energy was required for the atoms in the pure Cu system to contact with each other than those in the other two systems.