Evaluating the Vibrational Characteristics of Double Walled Carbon Nanotubes with Pinhole Defects
Ajay M. Patel,
Anand Y. Joshi.
This manuscript studies the effect of defects like large vacancies which can be categorised
as pinholes, on the vibration characteristics of double walled carbon nanotubes (DWCNT). Simulations
are performed on chiral, zigzag and armchair nanotubes with cantilever and bridged conditions
using molecular structure mechanics approach. Pinholes are the larger vacancies (through which a C60
molecule can pass) consisting of a no. of missing atoms, which are formed during the manufacturing
process. Researchers have reported that variation in the current and voltage along with a proper dose
of electrons leads to development and migration of vacancies which further increases in size. In this manuscript, the
authors have categorized these larger vacancies into two types i.e. 6 missing atoms and 24 missing atoms on the outer wall
of DWCNT. Moreover, it has been reported by many researchers that the location of defect affects the vibrational characteristics
of nanotubes. Hence considering the vibrational aspect, the effect of number of such defects and their location
along the length of nanotube has been studied. The simulation results indicate that the resonant frequency of defective
DWCNT is reducing with the increase in chiral angle. Further, it is also observed that the fundamental frequency reduces
with the increase in the number of pinhole defects in DWCNT and maximum frequency reduction takes place when the
defect is located nearer to the fixed end of DWCNT.
Keywords: DWCNTs, molecular dynamics, pinhole defect, resonant frequency.
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