1st Edition
Foundations of Nanotechnology, Volume Three Mechanics of Carbon Nanotubes
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 particle dynamics, lattice Boltzmann, time-dependent Ginzburg–Landau method, dynamic density functional theory method) to mesoscale and macroscale (micromechanics, equivalent-continuum and self-similar approaches, finite element method).
Knowledge of the nature and mechanics of the length and orientation of nanotubes, and load transfer between nanotubes and polymers, is critical for the manufacturing of enhanced carbon nanotube polymer composites. It also enables the tailoring of the interface for specific applications or superior mechanical properties. This book discusses the state of these parameters in mechanics of carbon nanotube polymer composites and presents some directions for future research in this field.
The book’s aim is to enhance current knowledge in this area to support researchers in carbon nanotubes and help them choose the appropriate modelling tool for accomplishing their research.
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.
