Effects of tube diameter and chirality on the stability of single-walled carbon nanotubes under ion irradiation

Using molecular dynamics method, we investigated the influence of tube diameter and chirality on the stability of single-walled carbon nanotubes (CNTs) under ion irradiation. We found that in the energy range below 1 keV, the dependence of CNT stability on the tube diameter is no longer monotonic under C ion irradiation, and the thinner (5, 5) CNT may be more stable than the thicker (7, 7) CNT, while under Ar irradiation, the CNT stability increases still monotonically with the CNT diameter. This stability behavior was further verified by the calculations of the threshold ion energies to produce displacement damage in CNTs. The abnormal stability of thin CNTs is related to their resistance to the instantaneous deformation in the wall induced by ion pushing, the high self-healing capacity, as well as the different interaction properties of C and Ar ions with CNT atoms. We also found that under ion irradiation the stability of a zigzag CNT is better than that of an armchair CNT with the same diameter. This is because of the bonding structure difference between the armchair and the zigzag CNTs with respect to the orientations of graphitic networks as well as the self-healing capacity difference.