Study on Sintering Mechanism and Mechanical Properties of Nano-Cu based on Molecular Dynamics Simulation

Nano-metal materials sintering has received increasing attention in recent years for its promising performance in the wide bandgap semiconductor packaging. In this paper, molecular dynamics (MD) simulation method were applied to simulate the nano-Cu sintering mechanism and the subsequent mechanical behavior. Hybrid sintering, comprising nanosphere (NS) and nanoflake (NF), was carried out at temperatures ranging from 500K to 650K. Furthermore, shearing simulations were conducted with constant strain rates on the sintered structure at multiple temperatures, and subsequently correlated the extracted mechanical properties with the sintering behavior. The results indicated that the mechanical properties of nano-Cu sintered structure were 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 41.2GPa and 3.51GPa respectively. It offers valuable insights into the preparation phase of nano Cu paste for sintering technology.