Molecular dynamics simulations on mechanical behaviors of sintered nanocopper in power electronics packaging

Nano-metal materials have received considerable attention because of their promising performance in wide bandgap semiconductor packaging. In this study, molecular dynamics (MD) simulation was performed to simulate the nano-Cu sintering mechanism and the subsequent mechanical behaviors. Hybrid sintering, comprising nanosphere (NS) and nanoflake (NF), was performed at temperatures from 500 to 650 K. Furthermore, shear and tensile simulations were conducted with constant strain rates on the sintered structure at multiple temperatures. Subsequently, the extracted mechanical properties were correlated with the sintering behavior. The results revealed that the mechanical properties of the nano-Cu sintered structure could be improved by tuning material composition and increasing the sintering temperature. We established a relationship between the sintered microstructure and mechanical response. The shear modulus and shear strength of the sintered structure with NF particles increased to 41.20 and 3.51 GPa respectively. Furthermore, the elastic modulus increased to 55.60, and the tensile strength increased to 4.88 GPa. This result provides insights into the preparation phase of nano-Cu paste for sintering technology.