As three-dimensional integration technology evolves, the integration density and operating speed of circuits continue to increase, raising the demands for interconnect reliability. It is urgent to explore novel interconnect materials to meet reliability requirements. Given its excellent mechanical, physical, and electrical properties, graphene-nanocopper has emerged as a promising new interconnect material. However, graphene’s low affinity with copper requires an exploration of its sintering mechanism to guide the sintering process. In this study, we initially utilized molecular dynamics calculations to compare the sintering processes of Cu NPs and G@Cu NPs. Graphene limits the sintering progress of G@Cu NPs, with shear strengths of Cu NPs (8.38 MPa) < G@Cu NPs (12.78 MPa) < benzimidazole@Cu NPs (13.28 MPa), and porosity rates of Cu NPs (38.19 %) > G@Cu NPs (14.28 %) > benzimidazole@Cu NPs (10.36 %). Post-sintering service reliability verifies that graphene limits the sintering process of G@Cu NPs. The sintering process of graphene with copper was subsequently simulated for different core–shell diameters, within a specific range, revealing that increasing the copper core diameter and graphene shell thickness decreases the sintering progression. However, the increase in graphene may concurrently alter defects, thus accelerating the sintering process. Finally, simulations conducted at sintering temperatures of 473 K, 573 K, and 673 K for G@Cu NPs show that increasing the temperature accelerates the sintering process, reducing the porosity rate from 19.48 % to 12.64 % and increasing the shear strength from 10.14 MPa to 13.92 MPa. It was verified that the temperature increase promoted the G@Cu sintering process. Our research reveals atomistic changes in G@Cu NPs under low-temperature conditions and provides a deeper understanding of low-temperature sintering for G@Cu NPs.
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