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

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.

Molecular Dynamics Simulations to Study the Role of Temperature on Carbon Nanotube and Protein Interactions

“…Biophysics plays a crucial role in the medical science as it will aid in the treatment with much better ways (1)(2)(3)(4) . A carbon nanotube (CNT) resembles a cylindrical structure with a nanoscale diameter and appears like a rolled graphene sheet (5)(6)(7)(8) .…”