1st Edition

Foundations of Nanotechnology, Volume Three Mechanics of Carbon Nanotubes

By Saeedeh Rafiei Copyright 2015
296 Pages 99 B/W Illustrations
by Apple Academic Press

296 Pages 99 B/W Illustrations
by Apple Academic Press

296 Pages
by Apple Academic Press

In this research notes book, the modelling of mechanical properties of CNT/polymer nanocomposites is presented. The book begins with the structural and intrinsic mechanical properties of CNTs and then introduces computational methods that have been applied to polymer nanocomposites, covering from molecular scale (molecular dynamics, Monte Carlo), microscale (Brownian dynamics, dissipative... Read more

Preface

Introduction

Carbon nanotubes (CNTs) and nanocomposite properties

Classification of CNT/polymer nanocomposites

Molecular structure of CNTs

Structural characteristics of carbon nanotubes

Characterization of carbon nanotubes

Mechanics of carbon nanotubes

Nanotube-based polymer composites

Modeling of Carbon Nanotubes Behavior

Molecular scale methods

Microscale methods

Mesoscale and macroscale methods

Micromechanics

Multi scale modeling of mechanical properties

Modeling of the interface

Concluding remarks

Inter-Atomic Relations in Carbon Nanotubes

Continuum shell model for SWCNT

Problems encountered in continuous cylindrical modelling

Analytical technique based on asymptotic homogenization

Structural mechanics approach to carbon nanotubes

Young’s modulus of a graphene sheet

Computational Mechanics Modeling

Molecular mechanics

Principles and energy formulations

Electrostatic energy

Cross terms

Specific potentials

Extensions and hybrid methods

Homogenization from graphene modeling

Lattice configuration and variational formulation

Homogenized law

Continuum modeling with the exponential cauchy-born rule

Numerical Simulation of the Mechanical Behavior

Parametric molecular generation

Structure of the mechanical models

Atomic-scale finite element method

Application to atom chains and nanotubes

Nonlinearity and stability

Dynamics of the molecular system

Numerical scheme and complexity of the dynamics

Numerical results

Diameters and lengths at the energy ground

Young’s moduli

Poisson’s ratios

Shear moduli

Young’s moduli of defective nanotubes

Index

Biography

Saeedeh Rafiei is a professional textile engineer and is currently a research scholar at Scuola Internazionale Superiore di Studi Avanzati, Trieste, Italy. She earned a BSc and MSc in textile engineering and has published several papers in journals and international conferences.