Download Foundations of Nanotechnology. Volume 3, Mechanics of Carbon by Saeedeh Rafiei PDF
By Saeedeh Rafiei
In this learn notes ebook, the modelling of mechanical homes of CNT/polymer nanocomposites is gifted. The e-book starts off with the structural and intrinsic mechanical homes of CNTs after which introduces computational tools which have been utilized to polymer nanocomposites, masking from molecular scale (molecular dynamics, Monte Carlo), microscale (Brownian dynamics, dissipative particle dynamics, lattice Boltzmann, time-dependent Ginzburg–Landau procedure, dynamic density sensible concept approach) to mesoscale and macroscale (micromechanics, equivalent-continuum and self-similar techniques, finite aspect method).
Knowledge of the character and mechanics of the size and orientation of nanotubes, and cargo move among nanotubes and polymers, is necessary for the producing of greater carbon nanotube polymer composites. It additionally allows the tailoring of the interface for particular purposes or enhanced mechanical homes. This e-book discusses the kingdom of those parameters in mechanics of carbon nanotube polymer composites and offers a few instructions for destiny examine during this field.
The book’s objective is to augment present wisdom during this zone to aid researchers in carbon nanotubes and support them pick out definitely the right modelling software for achieving their research.
Read or Download Foundations of Nanotechnology. Volume 3, Mechanics of Carbon Nanotubes PDF
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Extra info for Foundations of Nanotechnology. Volume 3, Mechanics of Carbon Nanotubes
Example text
These laws provide the basis for the continuum model and must be coupled with the appropriate constitutive equations and the equations of state to provide all the equations necessary for solving a continuum problem. The continuum method relates the deformation of a continuous medium to the external forces acting on the medium and the resulting internal stress and strain. Computational approaches range from simple closed-form analytical expressions to micromechanics and complex structural mechanics calculations based on beam and shell theory.
4 TIME-DEPENDENT GINZBURG-LANDAU METHOD TDGL is a micro scale method for simulating the structural evolution of phase-separation in polymer blends and block copolymers. It is based on the Cahn-Hilliard-Cook (CHC)non-linear diffusion equation for a binary blend and falls under the more general phase-field and reaction-diffusion models [111, 112]. In the TDGL method, a free-energy function is minimized to simulate a temperature quench from the miscible region of the phase diagram to the immiscible region.
There are many algorithms for integrating the equation of motion using finite difference methods. The algorithms of varlet, velocity varlet, leap-frog and Beeman, are commonly used in MD simulations [104]. All algorithms assume that the atomic position r , velocities v and accelerations a , can be approximated by a Taylor series expansion: 1 r ( t + δ t ) = r ( t ) + v ( t ) δ t + a ( t ) δ 2 t +… (3) 2 1 v ( t + δ t ) = v ( t ) + a ( t ) δ t + b ( t ) δ 2 t +… (4) 2 a ( t + δ t ) = a ( t ) + b ( t ) δ t +… (5) Generally speaking, a good integration algorithm should conserve the total energy and momentum and be time-reversible.