Molecular mechanics investigations of carbon nanotube and graphene sheet interaction

CARBON NANOTUBE MECHANICS: Molecular Simulations & Continuum Models for Carbon Nanotubes

To realize the incredible structural applications potential of carbon nanotubes, it is important to characterize their material response. Molecular simulations offer advantages over physical testing due to their cost effectiveness, versatility and precision. Two continuum models for single wall nanotubes (SWNT) were previously developed based on the results from molecular simulations using two ...

The Molecular Mechanics Model of Carbon Allotropes

Carbon can form numerous allotropes because of its valency. Graphene, carbon nanotubes,capped carbon nanotubes, buckyballs, and nanocones are well-known polymorphs of carbon.Remarkable mechanical properties of these carbon atoms have made them the subject of intenseresearch. Several studies have been conducted on carbon nanotubes or graphene. In the presentstudy, the molecular mechanics method ...

nanostudy and simulation of carbon nanotube binding to amino acids using by molecular mechanics method

Effects of a Vacancy Defect on Strength of Graphene Sheet and Carbon Nanotube

The presence of defects in a regular structure of graphene and carbon nanotubes (CNTs) can significantly influence their mechanical properties. In this work, the effect of an absence of a carbon atom (vacancy defect) on the strength of a graphene sheet and a single walled carbon nanotube (SWCNT) is studied using quasi static molecular dynamics (QSMD) simulations. Results show that a graphene sh...

Crosslinked Polyarylene Ether Nitrile Interpenetrating with Zinc Ion Bridged Graphene Sheet and Carbon Nanotube Network

We report the fabrication and improved properties of crosslinked polyarylene ether nitrile (CPEN) interpenetrating with a zinc ion bridged graphene sheet (GS) and carbon nanotube (CNT) network (GS-Zn-CNT) (CPEN/GS-Zn-CNT). Graphene oxide (GO) and acidulated CNT were firstly prepared and then coordinated with zinc ions to form the zinc ion bridged GO and CNT network (GO-Zn-CNT). The mass ratio o...