Effects of shell thickness on the thermal stability of Cu-Ag core-shell nanoparticles: a molecular dynamics study

Cu-Ag core-shell (CS) nanoparticle (NP) is considered as a cost-effective alternative material to nano silver sintering material in die attachment application. To further reduce the cost, the thickness of the Ag shell can be adjusted. Whereas the shell thickness will also affect the thermal stability of the Cu-Ag CSNPs. In this study, molecular dynamics simulation was applied to study the thickness effect on the thermal behavior of Cu-Ag CSNPs. The melting points of CSNPs and Pure NPs can be determined by the evolutions of Potential Energy (PE), and the Lindemann index (LI) of the system. The results indicated that the melting points of CS NPs were lower than monometallic NP and the melting point of CS NP is influenced by the size of the Cu core and the number of lattice mismatches. Moreover, the distribution of atoms' LI showed that the premelting point is independent of shell thickness. However, the fraction of atoms that occurred premelting is increased with the decrease of the shell thickness. Otherwise, we also simulated the sintering process of double CS NPs with equal size.