The Environmental Effect on the Dynamical Behaviors of Single-Walled Carbon Nanotube in Water

Yan Yan,Weizhong Li,Wenquan Wang

doi:10.1155/2014/980514

Abstract

The paper investigates the dynamical behaviors of single-walled carbon nanotube (SWCNT) in water, focusing on the effect of external environment (i.e., water) on SWCNT. The SWCNT-water system comprises three constituent parts, that is, the SWCNT, the absorbed layer of water molecules, and the water flow around the water layer. The SWCNT and the absorbed layer of water are modeled as two-layer thin shells coupled via the interlayer vdW interaction, and the water surrounding the absorbed water layer is considered as the potential flow. The numerical simulations show that the vdW interaction is responsible for an upshift in the frequency of the SWCNT and preserving the stability of system. Flow velocity has almost no effect on the natural frequency of SWCNT, while being quite significant for destabilizing of the CNT-fluid system. In addition, the effect of wavenumber on the coupled system is also considered. The study not only greatly reduces simulation time but also provides a new model to explain the experimental observation available in particular cases.

Highlights

Carbon nanotubes (CNTs) have attracted a great deal of attention in recent years because of their superior mechanical [1,2,3,4,5], electronic, and chemical properties
The single-walled carbon nanotube (SWCNT) and the external absorbed layer of water molecules are modeled as two-layer thin shells coupled via the interlayer vdW interaction, and the water around the absorbed water layer is considered as the potential flow
The effects of external environment on the dynamical behaviors of SWCNT in water are studied in the paper

Summary

Introduction

Carbon nanotubes (CNTs) have attracted a great deal of attention in recent years because of their superior mechanical [1,2,3,4,5], electronic, and chemical properties. Molecular dynamics (MD) simulations can be used to study the CNT-water interaction. Wang et al [11] developed a double shell-stokes flow model to study the axisymmetric vibration of SWCNT immerged in water. The study offers a theoretical explanation for the experimental observation and molecular dynamics simulations available in particular cases Motivated by these earlier studies, we develop a double shell-potential flow model for the SWCNT in water. The SWCNT and the external absorbed layer of water molecules are modeled as two-layer thin shells coupled via the interlayer vdW interaction, and the water around the absorbed water layer is considered as the potential flow. As will be shown below, based on the model, discussions in detail on the dynamical behaviors of SWCNT immerged in water are performed

The Double Shell-Potential Flow Model

Results and Discussions

Conclusions