Evaluation the vibrational behavior of carbon nanotubes in different sizes and chiralities and argon flows at supersonic velocity using molecular dynamics simulation

Abstract

The carbon nanotubes are among the most robust materials known to main (both in terms of tensile strength and vibrational properties). This strength is derived from the covalent bonds between carbon particles. In this research, carbon nanotubes in different sizes and chiralities and argon flow at supersonic velocity are simulated with molecular dynamics simulations, and their mechanical behavior is investigated. In this study, the stability of atomic structures, the effect of temperature and pressure on carbon nanotubes' vibrational behavior, and the effect of the velocity of argon atoms (ultrasonic flow) on the vibrational behavior of carbon nanotubes were investigated. Numerically, as the temperature and pressure of the simulated samples increase, the numerical value of the oscillation amplitude decreases to 2.12 Å and 2.30 Å, respectively. Also, with increasing temperature and pressure, these structures' frequency value rises to the numerical value of 13.02 ps−1 and 12.59 ps−1, respectively. © 2021 Elsevier B.V.