Molecular Dynamics Deformation Simulation of Carbon Nanotube Probes

Abstract

Understanding of the prosperities of the carbon nanotubes (CNTs) probes is crucial when measuring surface using atomic force microscopy (AFM). In this paper, we investigate the deformation of CNTs by adding lateral forces based on molecular dynamics (MD) simulation. In the simulation, Tersoff many-body potential function is used to describe the interaction between atoms. The movement of CNTs is periodic vibration, which is different from traditional material. We analyzed the vibration of different CNTs including single-walled carbon nanotubes (SWCNTs) and sharpened CNTs. Similarities and differences between different CNTs during the deformation are illustrated. It is shown that sharpened CNTs have better stiffness without declining the resolution of AFM. By analyzing the results obtained from the MD simulation, it is found that the sharpened CNTs may be more suitable as AFM probes.