Atomistic simulations on interwall sliding behaviour of double-walled carbon nanotube: effects of structural defects

XB Yuan and YS Wang, MOLECULAR SIMULATION, 43, 953-961 (2017).

DOI: 10.1080/08927022.2017.1309652

In this study, we investigated the interwall sliding behaviours of double-wall carbon nanotubes (DWCNTs) using molecular dynamics (MD) simulations, focusing on the effects of different structural defects including the vacancy, adsorbed atom (Adatom) and Stone-Wales (SW) defects. The simulation results showed that structural defects, especially the Adatom ones, caused large fluctuations and decreased the overall pull-out force. Stick-slip motions were observed in the interwall sliding processes of DWCNTs containing multiple structural defects. Among three types of structural defects, the Adatom defects most significantly weaken the interwall load transferring capability and degrade the interface shear strength (IFSS). This work provides useful information for promoting DWCNTs' applications in Micro/Nano Electro- Mechanical Systems (M/NEMS).

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