Investigation of vibrational manner of carbon nanotubes in the vicinity of ultrasonic argon flow using molecular dynamics simulation

Iman Karami,S Ali Eftekhari,Davood Toghraie

doi:10.1038/s41598-021-96328-1

Iman Karami, S Ali Eftekhari + Show 1 more

Open Access

https://doi.org/10.1038/s41598-021-96328-1

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Abstract

Among various types of nanostructures, carbon nanotube (CNT) is one of the most important nanostructures. These nanostructures have been considered due to their mechanical, thermal, and vibrational properties. In this research, this nanostructure’s vibrational behavior in the vicinity of argon flow in the vicinity of ultrasonic velocity was investigated. The effect of factors such as the stability of atomic structures, the atomic manner of carbon nanotubes in the presence of ultrasonic fluid, the influence of carbon nanotubes’ length, and the chirality of carbon nanotubes on vibrational behavior was studied by molecular dynamics simulation. The MD simulations display an enhance in amplitude and a decrease in the oscillation frequency. Physically, these simulations’ results indicated the appropriate mechanical strength of carbon nanotubes in the presence of argon fluid. Numerically, the simulated carbon nanotubes’ minimum oscillation amplitude and frequency were equal to 2.02 nm and 10.14 ps−1. On the other hand, the maximum physical quantities were expressed as 4.03 nm and 13.01 ps−1.

Highlights

Among various types of nanostructures, carbon nanotube (CNT) is one of the most important nanostructures
In a finite element model proposed by Marco Rossi et al.10, two single-walled carbon nanotubes’ mechanical and vibrational properties were calculated
Lu et al.15 analyzed the dynamic characteristics of CNT by the modified molecular structural mechanics method (MMSMM)

Summary

Introduction

Among various types of nanostructures, carbon nanotube (CNT) is one of the most important nanostructures. The MD simulations display an enhance in amplitude and a decrease in the oscillation frequency These simulations’ results indicated the appropriate mechanical strength of carbon nanotubes in the presence of argon fluid. In a finite element model proposed by Marco Rossi et al., two single-walled carbon nanotubes’ mechanical and vibrational properties were calculated. They found that carbon nanotubes’ chirality played an important role in their failure and the number of oscillations. The obtained outcomes displayed that with enhancing the amount of these defects, the mechanical strength of carbon nanotubes decreased, and the amplitude and vibration frequency increased and decreased, respectively. We expected that the computational outcomes improve the designing process of actual applications such as gas sensors, atomic membranes, etc

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