Surface evolution of Janus Cu-Ag nanoparticles: Influence of atom arrangements and interface structures

Abstract

In this paper, the effect of the atom ratio and interface structure on the surface evolution of Janus Cu–Ag Nanoparticles (NPs) were studied by molecular dynamics (MDs) simulation during sintering process. The results show that Cu/Ag alloys tend to form the Cu-core@Ag-shell NPs with stable configuration in the case of excessive Ag. However, the different arrangements of atoms and interface lead to Janus Cu–Ag NPs exhibiting unique coalescence during the contact stage of sintering process, and the interface with Cu/Ag two-type atoms is more likely to diffuse. Moreover, the systems gradually change from separate NPs to a uniform Cu/Ag alloy as the temperature rising, meanwhile the shrinkage ratio of the Janus Cu–Ag NPs is stable at 80%.