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

Runding Luo, Dong Hu, Cheng Qian, Xu Liu, Xuejun Fan, Guoqi Zhang, Jiajie Fan*

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

2 Citations (Scopus)
3 Downloads (Pure)


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.

Original languageEnglish
Article number115284
Number of pages11
JournalMicroelectronics Reliability
Publication statusPublished - 2024

Bibliographical note

Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project
Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.


This work was partially supported by the National Natural Science Foundation of China ( 52275559 ), Shanghai Pujiang Program ( 2021PJD002 ), Taiyuan Science and Technology Development Funds (Jie Bang Gua Shuai Program), and Shanghai Science and Technology Development Funds ( 19DZ2253400 ).


  • Molecular dynamics (MD) simulation
  • Nano-Cu sintering
  • Nanoflake
  • Shear simulation
  • Tensile simulation


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