Molecular dynamic simulation study of AFM single-wall carbon nanotube tip-surface interactions

Carbon nanotubes (CNTs) represent ideal Atomic Force Microscope (AFM) tip materials due to their remarkable mechanical properties. Dynamic interactions of a Single-wall Carbon nanotube (SWCNT) indenting towards a monocrystalline hydrogen-free Silicon surface (001) are investigated using molecular dynamic simulation. The critical strain and strain force along the axis of the tube from elastic to plastic regimes are calculated. The simulation shows the deform process in elastic regimes is similar to the process of two ends inward compressed. The atoms of nanotube tip adsorption to the Silicon surface has been observed in the plastic regimes. The mechanical microprocess of AFM's single-wall Carbon nanotube tip and Silicon surface interactions from elastic to plastic regimes can be well comprehended from the view of nanoscale energetic evolution.