Simulated carbon irradiation of carbon nanotubes - A comparative study of interatomic potentials

For single projectile irradiation, we have obtained that the coordination defect number increases with the projectile energy, although a saturation value is achieved at high projectile energies (∼3 keV). For continuous projectile irradiation, we have observed that for low energies (∼10 eV) the accumulation of adatoms produces a bump in the irradiated region. However, at intermediate energies (∼100 eV) the irradiation produces vacancies which are healed through non-hexagonal rings. This gives rise to a shrinking of the CNT diameter in the irradiated region. Finally, if the projectile energy is high enough (∼1 keV) the continuous irradiation produces the breaking of the CNT.