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A molecular dynamics (MD) based simulation is performed to investigate the influence of the atomic fraction of the Aluminum (Al) on the density and shear strength of the AlCoCrFeNi high-entropy alloy (HEA). The carbon nanotube (CNT), with chiral vector (6,6) is reinforced with the AlCoCrFeNi HEA system to enhance the strength-to-weight ratio. The mechanical deformation is performed on the atomic representative volume (RVE) of CNT-reinforced AlCoCrFeNi HEA by applying the shear loading. Shear strain–shear stress responses are recorded during the mechanical deformation of the HEA system by varying the atomic fraction (at.%) of the Al. AlCoCrFeNi HEAs with high Al concentration (>10 at.%) exhibit inadequate strength. Reinforcement of the CNT to the HEA system significantly increases the shear strength. Shear stress is enhanced by 44.32% for the CNT-reinforced AlCoCrFeNi HEA (4.21 GPa) as compared to pristine AlCoCrFeNi HEA (2.92 GPa) when the concentration of Al is at 50%.

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Carbon Nanotube (CNT)-Reinforced AlCoCrFeNi High-Entropy Alloy Under Shear Loading: A Molecular Dynamics Approach

  • 会议论文

  • 发表日期：

    2025年

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  • Subrata Barman,
  • Sudip Dey

摘要

A molecular dynamics (MD) based simulation is performed to investigate the influence of the atomic fraction of the Aluminum (Al) on the density and shear strength of the AlCoCrFeNi high-entropy alloy (HEA). The carbon nanotube (CNT), with chiral vector (6,6) is reinforced with the AlCoCrFeNi HEA system to enhance the strength-to-weight ratio. The mechanical deformation is performed on the atomic representative volume (RVE) of CNT-reinforced AlCoCrFeNi HEA by applying the shear loading. Shear strain–shear stress responses are recorded during the mechanical deformation of the HEA system by varying the atomic fraction (at.%) of the Al. AlCoCrFeNi HEAs with high Al concentration (>10 at.%) exhibit inadequate strength. Reinforcement of the CNT to the HEA system significantly increases the shear strength. Shear stress is enhanced by 44.32% for the CNT-reinforced AlCoCrFeNi HEA (4.21 GPa) as compared to pristine AlCoCrFeNi HEA (2.92 GPa) when the concentration of Al is at 50%.