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<p>To investigate the strengthening mechanisms of Cu–Ni nanoparticles with varying structures, three models with different Ni atom distributions for Cu–Ni core–shell particles, clusters and pure Cu particles were established, respectively. Simulations were conducted to study the dislocation behavior, structural evolution and mechanical properties of the three models under uniaxial tensile deformation. The results show that both core–shell and cluster configurations exhibit enhanced strengthening. Notably, the cluster model demonstrates the highest peak dislocation density along with a fast dislocation annihilation rate. However, the core–shell model sustains high dislocation density over an extended period. Furthermore, the coherency strengthening mechanism of Cu–Ni core–shell particles is enhanced by the Ni-shell, due to the increase of the elastic distortion field. The Cu–Ni cluster particles provide significant ordered strengthening, but their modulus strengthening and coherent strengthening are weakened, because of the altered crystal properties of the Cu–Ni particles.</p>

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Molecular dynamics study on the strengthening mechanism of nanoscale Cu–Ni precipitates in BCC-Fe matrix

  • 期刊论文

  • 发表日期：

    2025年6月13日

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  • Mingxiang Liu,
  • Shizheng Li,
  • Song Liu,
  • Bei Cai

摘要

To investigate the strengthening mechanisms of Cu–Ni nanoparticles with varying structures, three models with different Ni atom distributions for Cu–Ni core–shell particles, clusters and pure Cu particles were established, respectively. Simulations were conducted to study the dislocation behavior, structural evolution and mechanical properties of the three models under uniaxial tensile deformation. The results show that both core–shell and cluster configurations exhibit enhanced strengthening. Notably, the cluster model demonstrates the highest peak dislocation density along with a fast dislocation annihilation rate. However, the core–shell model sustains high dislocation density over an extended period. Furthermore, the coherency strengthening mechanism of Cu–Ni core–shell particles is enhanced by the Ni-shell, due to the increase of the elastic distortion field. The Cu–Ni cluster particles provide significant ordered strengthening, but their modulus strengthening and coherent strengthening are weakened, because of the altered crystal properties of the Cu–Ni particles.