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<p>High-entropy alloys offer high strength and load-bearing capability, while graphene provides ultralow shear strength and adequate lubrication; however, the atomic-level mechanisms behind their frictional performance are still not fully clear. This research employed molecular dynamics simulations to investigate the impact of the number of graphene layers and the presence of defects on the nanoscale friction of CoCrFeMnNi high-entropy alloys. The results indicated that two layers of graphene create a stable pathway for load transfer and help distribute shear stress evenly across the interface, thereby reducing the coefficient of friction and wear volume.&#xa0;A defect rate of 1-2% also helps keep the graphene film intact, allowing it to spread stress more effectively and improve tribological behavior. However, more than two layers of graphene or defects exceeding 3-4% destabilize the interface and attenuate wear resistance. This study reveals how graphene’s structural features synergize to regulate frictional behavior, offering guidance for designing better lubricated interfaces in high-entropy alloys.</p>

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Effect of Graphene Layer and Defect on the Tribological Behavior in CoCrFeMnNi High Entropy Alloy: A Molecular Dynamics Investigation

  • 期刊论文

  • 发表日期：

    2026年5月12日

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  • Yuwei Ma,
  • Dingding Xiang,
  • Fei Xing,
  • Jing Liu,
  • Xianyin Duan,
  • Kaiming Wang

摘要

High-entropy alloys offer high strength and load-bearing capability, while graphene provides ultralow shear strength and adequate lubrication; however, the atomic-level mechanisms behind their frictional performance are still not fully clear. This research employed molecular dynamics simulations to investigate the impact of the number of graphene layers and the presence of defects on the nanoscale friction of CoCrFeMnNi high-entropy alloys. The results indicated that two layers of graphene create a stable pathway for load transfer and help distribute shear stress evenly across the interface, thereby reducing the coefficient of friction and wear volume. A defect rate of 1-2% also helps keep the graphene film intact, allowing it to spread stress more effectively and improve tribological behavior. However, more than two layers of graphene or defects exceeding 3-4% destabilize the interface and attenuate wear resistance. This study reveals how graphene’s structural features synergize to regulate frictional behavior, offering guidance for designing better lubricated interfaces in high-entropy alloys.