多壁碳纳米管径向压缩的层间载荷传递与屈曲行为
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重庆大学

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TB383.1???????

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重庆市科学技术计划项目


Wall-by-Wall Load Transfer and Buckling Behavior of MWCNTs during Radial Compression
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College of Aerospace Engineering,Chongqing University

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Grant Nos. CSTB2025NSCQ-GPX0784、CSTB2025NSCQ-GPX0778

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    摘要:

    本文采用分子动力学模拟研究了多壁碳纳米管(MWCNTs)的径向压缩行为,重点关注管径和壁数的影响。通过分析加载过程中各层碳纳米管的平均径向力和环向力以及原子势能演化,阐明了层间力学相互作用。结果表明,纳米管的径向刚度与管径存在显著的尺寸依赖性:较小直径的纳米管由于较大曲率而表现出更高的径向刚度;增加壁数会显著提高整体承载能力。研究发现,多壁碳纳米管径向压缩过程中存在明显的载荷逐层传递滞后现象:随着壁数的增加,这种现象更加显著,导致内层在压缩过程中受力始终处于较低水平。此外,势能分析表明能量高度集中在外层,而内层即使在大变形下也保持相对较低的能量水平。这些发现为利用曲率和层间范德华相互作用在调控多壁碳纳米管径向机械响应提供了新的见解,并为高性能纳米器件和耐压纳米结构的设计提供了理论指导,同时也为压力传感器、界面增强复合材料的理论指导和实验验证提供了新的方向。

    Abstract:

    Molecular dynamics simulations are employed to investigate the radial compression behavior of multi-walled carbon nanotubes (MWCNTs), with a particular focus on the coupled effects of tube diameter and wall number. By analyzing the average radial and hoop forces on each wall together with the evolution of atomic potential energy, the inter-wall mechanical interactions during radial expansion are clearly elucidated. The results indicate that the radial stiffness of MWCNTs exhibits a pronounced size dependence on tube diameter: smaller-diameter nanotubes display significantly higher radial stiffness due to enhanced atomic curvature, while increasing the wall number markedly improves the overall load-bearing capacity. This study further reveals that an obvious wall-by-wall load-transfer lag phenomenon occurs during the radial compression of MWCNTs. This effect becomes more pronounced with increasing wall number, resulting in the inner walls maintaining relatively low force levels throughout the compression process. In addition, potential energy analysis shows that energy accumulation is highly concentrated in the outer walls, whereas the inner walls remain at relatively low energy levels even under large deformations. These findings offer new insights into regulating the radial mechanical response of multi-walled carbon nanotubes through curvature and interlayer van der Waals interactions. They provide theoretical guidance for the design of high-performance nanodevices and pressure-resistant nanostructures, while opening new avenues for the theoretical modeling and experimental validation of pressure sensors and interface-enhanced composites.

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  • 收稿日期:2026-04-18
  • 最后修改日期:2026-04-25
  • 录用日期:2026-05-09
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