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<p>The nanotwin structure not only maintains the excellent electrical conductivity of the Cu alloy but also enhances its strength. Based on the microstructure of Cu-Ag alloys observed by transmission electron microscopy (TEM), molecular dynamics (MD) models of Cu-Ag polycrystalline alloys with different twin spacings were established in this study. By adjusting key parameters such as temperature and twin spacing, the mechanical properties and intrinsic deformation mechanism of Cu-Ag polycrystalline alloys were investigated. Studies have shown that the classic Hall–Petch (H-P) relationship has a distinct applicable range at the nanoscale. When the twin spacing is less than 7. 0&#xa0;nm, the classical H-P relationship is observed. Otherwise, the opposite H-P relationship is observed. In addition, temperature has a significant impact on the mechanical properties of materials. As the temperature rises, the Young’s modulus decreases due to the reduction in dislocation density, and the slope changes at 500&#xa0;K. These findings provide guidance for the design of high-performance Cu-Ag alloys.</p>

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Strengthening mechanism of nano-twinned Cu-Ag polycrystalline alloys: based on molecular dynamics

  • 期刊论文

  • 发表日期：

    2026年1月21日

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  • Pengtao Li,
  • Chenke Ding

摘要

The nanotwin structure not only maintains the excellent electrical conductivity of the Cu alloy but also enhances its strength. Based on the microstructure of Cu-Ag alloys observed by transmission electron microscopy (TEM), molecular dynamics (MD) models of Cu-Ag polycrystalline alloys with different twin spacings were established in this study. By adjusting key parameters such as temperature and twin spacing, the mechanical properties and intrinsic deformation mechanism of Cu-Ag polycrystalline alloys were investigated. Studies have shown that the classic Hall–Petch (H-P) relationship has a distinct applicable range at the nanoscale. When the twin spacing is less than 7. 0 nm, the classical H-P relationship is observed. Otherwise, the opposite H-P relationship is observed. In addition, temperature has a significant impact on the mechanical properties of materials. As the temperature rises, the Young’s modulus decreases due to the reduction in dislocation density, and the slope changes at 500 K. These findings provide guidance for the design of high-performance Cu-Ag alloys.