Molecular Dynamics Study on Vibrational Characterization of Single-Walled Carbon Nanotubes

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<p>In recent years, significant attention has been given to the physical properties of low-dimensional materials. Carbon nanotubes (CNTs), a prime example of such materials, are emerging as a promising next-generation candidate material for sensor components, including yoctogram (10−24 g) measurement devices and antennas capable of handling large-scale digital data. CNTs exhibit a variety of atomic arrangements due to their chirality. However, even 30 years after their discovery, controlling the chirality of CNTs remains challenging, and the specifics of their physical properties still require clarification. Understanding the vibration characteristics of carbon nanotubes (CNTs) is crucial for designing nanoscale structures and devices. In this study, we analyzed the effects of tube diameter, push ratio, and length of CNTs on vibration using molecular dynamics simulation. This method allows for the modeling of ideal geometric structures at the atomic level and the tracking of their behavior. The findings are as follows: For armchair carbon nanotubes, the resonance frequency decreased with an increase in the length of the CNTs. It was observed that the thermal energy generated during vibration tends to decrease with an increase in tube diameter. The full width at half maximum increases with an increase in the push ratio.</p>

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  • MATERIALS TRANSACTIONS

    MATERIALS TRANSACTIONS 65 (11), 1377-1383, 2024-11-01

    The Japan Institute of Metals and Materials

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