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Molecular Dynamics Simulations of Thermal Transport of Carbon Nanotube Interfaces

Author

Listed:
  • Shijun Zhou

    (Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China)

  • Shan Qing

    (Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China)

  • Xiaohui Zhang

    (Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China)

  • Haoming Huang

    (Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China)

  • Menglin Hou

    (Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China)

Abstract

In this paper, non-equilibrium molecular dynamics simulations are used to study the interfacial heat exchange capacity of one-dimensional carbon nanotube nested structures. When the radius of the CNT substrate is increased from 1.356 to 2.712 nm, the ITC has a great enhancement from 1.340 to 2.949 nw/k. After this, we investigate the effects of overlap length, CNT length, and van der Waals interaction strength on the thermal resistance of the interface between carbon nanotubes. Firstly, we found that the nesting depth can significantly increase the ITC, and the increase in ITC is more obvious at an overlap length of 40 Å than at 30 Å. After this, the effect of length on the interfacial thermal conductivity is investigated, and the interfacial thermal conductivity is enhanced by 33.8% when the length is increased to 30 nm. Finally, the effect of van der Waals interaction strength was investigated, and the ITC increased from 1.60 nW/K to 2.71 nW/K when the scale factor was increased from 1 to 2.

Suggested Citation

  • Shijun Zhou & Shan Qing & Xiaohui Zhang & Haoming Huang & Menglin Hou, 2024. "Molecular Dynamics Simulations of Thermal Transport of Carbon Nanotube Interfaces," Energies, MDPI, vol. 17(6), pages 1-11, March.
  • Handle: RePEc:gam:jeners:v:17:y:2024:i:6:p:1506-:d:1361522
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    References listed on IDEAS

    as
    1. Youcheng Jiang & Shangzhi Song & Mengjuan Mi & Lixuan Yu & Lisha Xu & Puqing Jiang & Yilin Wang, 2023. "Improved Electrical and Thermal Conductivities of Graphene–Carbon Nanotube Composite Film as an Advanced Thermal Interface Material," Energies, MDPI, vol. 16(3), pages 1-11, January.
    2. Umair Yaqub Qazi & Rahat Javaid, 2023. "Graphene Utilization for Efficient Energy Storage and Potential Applications: Challenges and Future Implementations," Energies, MDPI, vol. 16(6), pages 1-21, March.
    Full references (including those not matched with items on IDEAS)

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