Soon after the discovery of carbon nanotubes, it was realized that the theoretically predicted mechanical properties of these interesting structures–including high strength, high stiffness, low density and structural perfection–could make them ideal for a wealth of technological applications. The experimental verification, and in some cases refutation, of these predictions, along with a number of computer simulation methods applied to their modeling, has led over the past decade to an improved but by no means complete understanding of the mechanics of carbon nanotubes. We review the theoretical predictions and discuss the experimental techniques that are most often used for the challenging tasks of visualizing and manipulating these tiny structures. We also outline the computational approaches that have been taken, including ab initio quantum mechanical simulations, classical molecular dynamics, and continuum models. The development of multiscale and multiphysics models and simulation tools naturally arises as a result of the link between basic scientific research and engineering application; while this issue is still under intensive study, we present here some of the approaches to this topic. Our concentration throughout is on the exploration of mechanical properties such as Young’s modulus, bending stiffness, buckling criteria, and tensile and compressive strengths. Finally, we discuss several examples of exciting applications that take advantage of these properties, including nanoropes, filled nanotubes, nanoelectromechanical systems, nanosensors, and nanotube-reinforced polymers. This review article cites 349 references. @DOI: 10.1115/1.1490129#

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Mechanics of carbon nanotubes

A review of techniques, advances and outstanding issues in numerical modelling for rock mechanics and rock engineering

A point interpolation meshless method is proposed based on combining radial and polynomial basis functions. Involvement of radial basis functions overcomes possible singularity associated with the meshless methods based on only the polynomial basis. This non-singularity is useful in constructing well-performed shape functions. Furthermore, the interpolation function obtained passes through all scattered points in an influence domain and thus shape functions are of delta function property. This makes the implementation of essential boundary conditions much easier than the meshless methods based on the moving least-squares approximation. In addition, the partial derivatives of shape functions are easily obtained, thus improving computational efficiency. Examples on curve/surface fittings and solid mechanics problems show that the accuracy and convergence rate of the present method is high. Copyright © 2002 John Wiley & Sons, Ltd.

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A point interpolation meshless method based on radial basis functions

Recent developments of meshfree and particle methods and their applications in applied mechanics are surveyed. Three major methodologies have been reviewed. First, smoothed particle hydrodynamics ~SPH! is discussed as a representative of a non-local kernel, strong form collocation approach. Second, mesh-free Galerkin methods, which have been an active research area in recent years, are reviewed. Third, some applications of molecular dynamics ~MD! in applied mechanics are discussed. The emphases of this survey are placed on simulations of finite deformations, fracture, strain localization of solids; incompressible as well as compressible flows; and applications of multiscale methods and nano-scale mechanics. This review article includes 397 references. @DOI: 10.1115/1.1431547#

Meshfree and particle methods and their applications

An analytical model based on a molecular mechanics approach is presented to relate the elastic properties of a single-walled carbon nanotube to its atomic structure. We derive closed-form expressions for elastic modulus and Poisson's ratio as a function of the nanotube diameter. Properties at different length scales are directly connected via these expressions. The analytically calculated elastic properties for achiral nanotubes using force constants obtained from experimental data of graphite are compared to those based on tight binding numerical calculations. This study represents a preliminary effort to develop analytical methods of molecular mechanics for applications in nanostructure modeling.

Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics model

Generalized multiple scale reproducing kernel particle methods

A parallel computational implementation of modern meshless methods is presented for explicit dynamic analysis. The procedures are demonstrated by application of the Reproducing Kernel Particle Method (RKPM). Aspects of a coarse grain parallel paradigm are detailed for a Lagrangian formulation using model partitioning. Integration points are uniquely defined on separate processors and particle definitions are duplicated, as necessary, so that all support particles for each point are defined locally on the corresponding processor. Several partitioning schemes are considered and a reduced graph-based procedure is presented. Partitioning issues are discussed and procedures to accommodate essential boundary conditions in parallel are presented. Explicit MPI message passing statements are used for all communications among partitions on different processors. The effectiveness of the procedure is demonstrated by highly deformable inelastic example problems.

R. Aziz Uras

Papers

Generalized multiple scale reproducing kernel particle methods

Parallel computation of meshless methods for explicit dynamic analysis