The Attitude of Variation of Elastic Modules in Single Wall Carbon Nanotubes: Nonlinear Mass-Spring Model
Authors
Abstract:
The examination of variation of elastic modules in single wall carbon nanotubes (SWCNTs) is the aim of this paper. Full nonlinear spring-like elements are employed to simulate specific atomic structures in the commercial code ABAQUS. Carbon atoms are attached to each node as a mass point using atomic mass of carbon atoms. The influence of dimensions such as variation of length, diameter, aspect ratio and chirality is explored separately on the variations of young's and shear modules. It is observed that the effect of dimensions after a critical aspect ratio in nanotubes is negligible. Also, the influence of chirality on the elastic modules for same dimensions is observable. The results are compared with experimental results and theoretical data.
similar resources
Investigation of Vibrational Behavior of Perfect and Defective Carbon Nanotubes Using Non–Linear Mass–Spring Model
In the present study, the effects of arrangement and distribution of multifarious types of defects on fundamental frequency of carbon nanotubes are investigated with respect to different chirality and boundary conditions. Interatomic interactions between each pair of carbon atoms are modeled using two types of non–linear spring–like elements. To obtain more information about the influences of d...
full textinvestigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولAnalytical Spring-Mass Model of Impact Behavior of Double-Walled Carbon Nanotubes
In this study, an impact behavior of spherical striker on a double-walled carbon nanotube (DWCNT) is presented based on a three degree of freedom spring-mass model and the finite element (FE) simulations. The semi-analytical solution of the transverse impact of a striker on a DWCNT is investigated by using the elasticity nonlocal theory of Euler-Bernoulli (EBT) and Timoshenko (TBT) nanobeams. T...
full textMolecular Dynamics Investigation of The Elastic Constants and Moduli of Single Walled Carbon Nanotubes
Determination of the mechanical properties of carbon nanotubes is an essential step in their applications from macroscopic composites to nano-electro-mechanical systems. In this paper we report the results of a series of molecular dynamics simulations carried out to predict the elastic constants, i.e. the elements of the stiffness tensor, and the elastic moduli, namely the Young’s and shear mod...
full textInvestigation of Molecular Selenium Adsorption to the Outer Surface of Single Wall Carbon Nanotubes
In this study the adsorption of selenium molecule (Se2) on the outer surface of zigzag (5,0), (8,0) and (10,0) carbon nanotubes has been investigated. We examined number adsorbed orientations as well as different adsorption sites on nanotubes. The adsorption energies, equilibrium distances, energy differences between the highest occupied molecular orbital (HOMO) and lowest uno...
full textMultiscale Evaluation of the Nonlinear Elastic Properties of Carbon Nanotubes Under Finite Deformation
This paper deals with the calculation of the elastic properties for single-walled carbon nanotubes (SWCNTs) under axial deformation and hydrostatic pressure using the atomistic-based continuum approach and the deformation mapping technique. A hyperelastic model based on the higher-order Cauchy-Born (HCB) rule being applicable at finite strains and accounting for the chirality and material nonli...
full textMy Resources
Journal title
volume 4 issue 1
pages 106- 113
publication date 2012-03-30
By following a journal you will be notified via email when a new issue of this journal is published.
Hosted on Doprax cloud platform doprax.com
copyright © 2015-2023