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<p>This investigation employs molecular dynamics simulation techniques to analyze the influence of bismuth nanoparticle incorporation on both the mechanical characteristics and microstructural development of polycrystalline iron matrix composites during rolling deformation processes. The effects of nanoparticles with different sizes were also examined. The results demonstrate that bismuth nanoparticles significantly alter the rolling force, shear strain distribution, crystalline structure evolution, and dislocation nucleation and propagation at the nanoscale rolling stage. As the rolling force induces deformation at the bismuth nanoparticles, atomic shear strain and crystalline structural changes concentrate around them, suppressing dislocation formation and consequently reducing the rolling force. Furthermore, increasing the diameter of the bismuth nanoparticles leads to more pronounced shear strain concentration around the nanoparticles, remarkably inducing the generation of high-energy dislocations. This ultimately reduces material hardness and rolling force. This study provides valuable insights into the mechanisms underlying the effects of bismuth nanoparticles during the rolling of polycrystalline iron-based matrix materials.</p>

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Bismuth-Induced Microstructural Evolution and Mechanical Enhancement in Rolled Polycrystalline Iron

  • 期刊论文

  • 发表日期：

    2026年4月24日

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  • Haizhou Zhang,
  • Fazhan Wang,
  • Haochen Wang,
  • Xiaopeng Li,
  • Lujia Yu,
  • Yumeng Cai,
  • Xinyang Zhao

摘要

This investigation employs molecular dynamics simulation techniques to analyze the influence of bismuth nanoparticle incorporation on both the mechanical characteristics and microstructural development of polycrystalline iron matrix composites during rolling deformation processes. The effects of nanoparticles with different sizes were also examined. The results demonstrate that bismuth nanoparticles significantly alter the rolling force, shear strain distribution, crystalline structure evolution, and dislocation nucleation and propagation at the nanoscale rolling stage. As the rolling force induces deformation at the bismuth nanoparticles, atomic shear strain and crystalline structural changes concentrate around them, suppressing dislocation formation and consequently reducing the rolling force. Furthermore, increasing the diameter of the bismuth nanoparticles leads to more pronounced shear strain concentration around the nanoparticles, remarkably inducing the generation of high-energy dislocations. This ultimately reduces material hardness and rolling force. This study provides valuable insights into the mechanisms underlying the effects of bismuth nanoparticles during the rolling of polycrystalline iron-based matrix materials.