Modeling of van der Waals force for infinitesimal deformation of multi-walled carbon nanotubes treated as cylindrical shells

This paper models van der Waals (vdW) force for axially compressed multi-walled carbon nanotubes (CNTs), whereby each tube is treated as a cylindrical shell continuum. Explicit formulas are derived for predicting the critical axial strain of a triple-walled CNT using a more refined vdW model. The analysis of a cylindrical shell continuum model of multi-walled CNTs using this refined vdW force model is carried out to study the influence of the effect of vdW interaction between different layers of a CNT and the size effect of a CNT on the vdW interaction. It is shown herein that the greatest contribution to the vdW interaction comes from the adjacent layers and the contribution from a remote layer may be neglected. The vdW interaction is found to be strongly dependent on the radius of the tube, especially when the radius is small enough (<7 nm). When the radius is large enough (>40 nm), the vdW interaction coefficient c_ij can be taken as a constant value (i.e. independent of radius). However, these constant values are different for the vdW interaction between two different layers of a multi-walled CNT. The effect of the vdW interaction on the critical axial strain of a triple-walled CNT for the cases of before and after buckling is also examined for various innermost radii.     

A structural mechanics approach for predicting the mechanical properties of carbon nanotubes

Based on molecular mechanics, a structural mechanics model of carbon nanotubes (CNTs) was developed with special consideration given to the bending stiffness of the graphite layer. The potentials associated with the atomic interactions within a CNT were evaluated by the strain energies of beam elements which serve as structural substitutions of covalent bonds in a CNT. In contrast to the original model developed by Li and Chou (Int. J. Solids Struct. 40(10):2487–2499, 2003), in the current model the out-of-plane deformation (inversion) of the bond was distinguished from the in-plane deformation by considering a rectangular cross-section for the beam element. Consequently, the model is able to study problems where the effect of local bending of the graphite layer in a carbon nanotube is significant. A closed-form solution of the sectional properties of the beam element was derived analytically. The model was verified through the analysis of rolling a graphite sheet into a carbon nanotube. Using the present model, the buckling behavior of nanotubes under bending is simulated. The predicted critical bending angle agrees well with molecular dynamics simulations.     

Curvature effects on axially compressed buckling of a small-diameter double-walled carbon nanotube

The curvature effects of interlayer van der Waals (vdW) forces on axially compressed buckling of a double-walled carbon nanotube (DWNT) of diameter down to 0.7 nm are studied. Unlike most existing models which assume that the interlayer vdW pressure at a point between the inner and outer tubes depends merely on the change of the interlayer spacing at that point, the present model considers the dependence of the interlayer vdW pressure on the change of the curvatures of the inner and outer tubes at that point. A simple expression is derived for the curvature-dependence of the interlayer vdW pressure in which the curvature coefficient is determined. Based on this model, an explicit formula is obtained for the axial buckling strain. It is shown that neglecting the curvature effect alone leads to an under-estimate of the critical buckling strain with a relative error up to −7%, while taking the average radius of two tubes as the representative radius and the curvature effect leads to an over-estimate of the critical buckling strain with a relative error up to 20% when the inner radius downs to 0.35 nm. Therefore, the curvature effects play a significant role in axially compressed buckling problems only for DWNTs of very small radii. In addition, our results show that the effect of the vdW interaction pressure prior to buckling of DWNTs under pure axial stress is small enough and can be negligible whether the vdW interaction curvature effects are neglected or not.     

Effects of layer number and initial pressure on continuum-based buckling analysis of multi-walled carbon nanotubes accounting for van der Waals interaction

The structural instability of multi-walled carbon nanotubes (MWCNTs) has captured extensive attention due to the unique characteristic of extremely thin hollow cylinder structure. The previous studies usually focus on the buckling behavior without considering the effects of the wall number and initial pressure. In this paper, the axial buckling behavior of MWCNTs with the length-to-outermost radius ratio less than 20 is investigated within the framework of the Donnell shell theory. The governing equations for the infinitesimal buckling of MWCNTs are established, accounting for the van der Waals (vdW) interaction between layers. The effects of the wall number, initial pressure prior to buckling, and aspect ratio on the critical buckling mode, buckling load, and buckling strain are discussed, respectively. Specially, the four-walled and twenty-walled CNTs are studied in detail, indicating the fact that the buckling instability may occur in other layers besides the outermost layer. The obtained results extend the buckling analysis of the continuum-based model, and provide theoretical support for the application of CNTs.     

考虑范德华力曲率效应的双壁碳纳米管外压屈曲

针对双壁碳纳米管外压屈曲问题,研究了层间范德华力的曲率效应对临界外压的影响。应用弹性双层圆柱壳模型,考虑层间范德华力不仅与层间距有关而且与挠度曲率的变化有关,导出了外压屈曲临界压力解析公式。计算得出在不同半径、不同长细比下,外压屈曲临界压力的数值结果,并与经典壳的结果和忽略范德华力曲率效应的结果做了比较。结果显示,对于小半径的双壁碳纳米管曲率效应对外压屈曲有效明显的影响。     

A note on the critical points of equilibrium paths in imperfect structures

In a recent work (Int. J. Solids Struct. 37 (2000) 1561) by one of the authors, an extended system for calculating critical points of equilibrium paths in imperfect structures was presented. However, the extremum nature of these points was not analyzed explicitly in that paper. In this note, we will fill in the gap and establish a sufficient condition for determining the buckling strength of imperfect structures.     

Mechanics of granular materials: The discrete and the continuum descriptions juxtaposed

In recent years a discussion could be followed where the pros and cons of the applicability of the Cosserat continuum model to granular materials were debated [Bardet, J.P., Vardoulakis, I., 2001. The asymmetry of stress in granular media. Int. J. Solids Struct. 38, 353–367; Kruyt, N.P., 2003. Static and kinematics of discrete Cosserat-type granular materials. Int. J. Solids Struct. 40, 511–534; Bagi, K., 2003. Discussion on “The asymmetry of stress in granular media”. Int. J. Solids Struct. 40, 1329–1331; Bardet, J.P., Vardoulakis, I. 2003a. Reply to discussion by Dr. Katalin Bagi. Int. J. Solids Struct. 40, 1035; Kuhn, M., 2003. Discussion on “The asymmetry of stress in granular media”. Int. J. Solids Struct. 40, 1805–1807; Bardet, J.P., Vardoulakis, I., 2003b. Reply to Dr. Kuhn’s discussion. Int. J. Solids Struct. 40, 1809; Ehlers, W., Ramm, E., Diebels, S., D’Addetta, G.A., 2003. From particle ensembles to Cosserat continua: homogenization of contact forces towards stresses and couple stresses. Int. J. Solids Struct. 40, 6681–6702; Chang, C.S., Kuhn, M.R., 2005. On virtual work and stress in granular media. Int. J. Solids Struct. 42, 3773–3793]. The authors follow closely this debate and try, with this paper, to provide a platform where the various viewpoints could find their position. We consider an ensemble of rigid, arbitrarily shaped grains as a set with structure. We establish a basic mathematical framework which allows to express the balance laws and the action–reaction laws for the discrete system in a “global” form, through the concepts of “part”, “granular surface”, “separately additive function” and “flux”. The independent variable in the balance laws is then the arbitrary part of the assembly rather than the single grain. A parallel framework is constructed for Cosserat continua, by applying the axiomatics established by [Noll, W., 1959. The foundation of classical mechanics in the light of recent advances in continuum mechanics. In: The axiomatic method, with special reference to Geometry and Physics, North-Holland Publishing Co., Amsterdam pp. 266–281, Gurtin, M.E., Williams, W.O., 1967. An axiomatic foundation of continuum thermodynamics. Arch. Rat. Mech. Anal. 26, 83–117, Gurtin, M.E., Martins, L.C., 1976. Cauchy’s theorem in classical physics. Arch. Rat. Mech. Anal. 60, 305–324]. The comparison between the two realisations suggests the microscopic interpretation for some features of Cosserat Mechanics, among which the asymmetry of the Cauchy-stress tensor and the couple-stress.     

A homogenized Reissner–Mindlin model for orthotropic periodic plates: Application to brickwork panels

This paper describes a new procedure for the homogenization of orthotropic 3D periodic plates. The theory of Caillerie [Caillerie, D., 1984. Thin elastic and periodic plates. Math. Method Appl. Sci., 6, 159–191.] – which leads to a homogeneous Love–Kirchhoff model – is extended in order to take into account the shear effects for thick plates. A homogenized Reissner–Mindlin plate model is proposed. Hence, the determination of the shear constants requires the resolution of an auxiliary 3D boundary value problem on the unit cell that generates the periodic plate. This homogenization procedure is then applied to periodic brickwork panels.A Love–Kirchhoff plate model for linear elastic periodic brickwork has been already proposed by Cecchi and Sab [Cecchi, A., Sab, K., 2002b. Out-of-plane model for heterogeneous periodic materials: the case of masonry. Eur. J. Mech. A-Solids 21, 249–268 ; Cecchi, A., Sab, K., 2006. Corrigendum to A comparison between a 3D discrete model and two homogenised plate models for periodic elastic brickwork [Int. J. Solids Struct., vol. 41/9–10, pp. 2259–2276], Int. J. Solids Struct., vol. 43/2, pp. 390–392.]. The identification of a Reissner–Mindlin homogenized plate model for infinitely rigid blocks connected by elastic interfaces (the mortar thin joints) has been also developed by the authors Cecchi and Sab [Cecchi A., Sab K., 2004. A comparison between a 3D discrete model and two homogenised plate models for periodic elastic brickwork. Int. J. Solids Struct. 41/9–10, 2259–2276.]. In that case, the identification between the 3D block discrete model and the 2D plate model is based on an identification at the order 1 in the rigid body displacement and at the order 0 in the rigid body rotation.In the present paper, the new identification procedure is implemented taking into account the shear effect when the blocks are deformable bodies. It is proved that the proposed procedure is consistent with the one already used by the authors for rigid blocks. Besides, an analytical approximation for the homogenized shear constants is derived. A finite elements model is then used to evaluate the exact shear homogenized constants and to compare them with the approximated one. Excellent agreement is found. Finally, a structural experimentation is carried out in the case of masonry panel under cylindrical bending conditions. Here, the full 3D finite elements heterogeneous model is compared to the corresponding 2D Reissner–Mindlin and Love–Kirchhoff plate models so as to study the discrepancy between these three models as a function of the length-to-thickness ratio (slenderness) of the panel. It is shown that the proposed Reissner–Mindlin model best fits with the finite elements model.     

Nonlinear asymptotic analysis in elastica of straight bars—analytical parametric solutions

It is shown that by a series of admissible functional transformations the already derived (third-order) strongly nonlinear ordinary differential equation (ODE), describing the elastica buckling analysis of a straight bar under its own weight [Int.J.Solids Struct.24(12), 1179–1192, 1988, The Theory of Elastic Stability, McGraw-Hill, New York, 1961], is reduced to a first-order nonlinear integrodifferential equation. The absence of exact analytic solutions of the reduced equation leads to the conclusion that there are no exact analytic solutions in terms of known (tabulated) functions of this elastica buckling problem. In the limits of large or small values of the slope of the deflected elastica, we expand asymptotically the above integrodifferential equation to nonlinear ODEs of the Emden–Fowler or Abel nonlinear type. In these cases, using the solution methodology recently developed in Panayotounakos [Appl. Math. Lett. 18:155–162, 2005] and Panayotounakos and Kravvaritis [Nonlin. Anal. Real World Appl., 7(2):634–650, 2006], we construct exact implicit analytic solutions in parametric form of these types of equations and thus approximate implicit analytic solutions of the original elastica buckling nonlinear ODE.     

Prediction of the critical buckling load of multi-walled carbon nanotubes under axial compression

In this paper, we propose a new explicit analytical formula of the critical buckling load of double-walled carbon nanotubes (DWCNT) under axial compression. This formula takes into account van der Waals interactions between adjacent tubes and the effect of terms involving tube radii differences generally neglected in the derived expressions of the critical buckling load published in the literature. The elastic multiple Donnell shells continuum approach is employed for modelling the multi-walled carbon nanotubes. The validation of the proposed formula is made by comparison with a numerical solution. The influence of the neglected terms is also studied.     

Evaluation of the Lazarus-Leblond constants in the asymptotic model of the interfacial wavy crack

The paper addresses the problem of a semi-infinite plane crack along the interface between two isotropic half-spaces. Two methods of solution have been considered in the past: Lazarus and Leblond [1998a. Three-dimensional crack-face weight functions for the semi-infinite interface crack-I: variation of the stress intensity factors due to some small perturbation of the crack front. J. Mech. Phys. Solids 46, 489-511, 1998b. Three-dimensional crack-face weight functions for the semi-infinite interface crack-II: integrodifferential equations on the weight functions and resolution J. Mech. Phys. Solids 46, 513-536] applied the “special” method by Bueckner [1987. Weight functions and fundamental fields for the penny-shaped and the half-plane crack in three space. Int. J. Solids Struct. 23, 57-93] and found the expression of the variation of the stress intensity factors for a wavy crack without solving the complete elasticity problem; their solution is expressed in terms of the physical variables, and it involves five constants whose analytical representation was unknown; on the other hand, the “general” solution to the problem has been recently addressed by Bercial-Velez et al. [2005. High-order asymptotics and perturbation problems for 3D interfacial cracks. J. Mech. Phys. Solids 53, 1128-1162], using a Wiener-Hopf analysis and singular asymptotics near the crack front.The main goal of the present paper is to complete the solution to the problem by providing the connection between the two methods. This is done by constructing an integral representation for Lazarus-Leblond's weight functions and by deriving the closed form representations of Lazarus-Leblond's constants.     

Estimates for the elastic moduli of random trigonal polycrystals and their macroscopic uncertainty

Explicit expressions of the upper and lower estimates on the macroscopic elastic moduli of random trigonal polycrystals are derived and calculated for a number of aggregates, which correct our earlier results given in Pham [Pham, D.C., 2003. Asymptotic estimates on uncertainty of the elastic moduli of completely random trigonal polycrystals. Int. J. Solids Struct. 40, 4911–4924]. The estimates are expected to predict the scatter ranges for the elastic moduli of the polycrystalline materials. The concept of effective moduli is reconsidered regarding the macroscopic uncertainty of the moduli of randomly inhomogeneous materials.     

Three-dimensional theory of stability of a carbon nanotube in a matrix

The three-dimensional theory of stability of a carbon nanotube (CNT) in a polymer matrix is presented. The results are obtained on the basis of the three-dimensional linearized theory of stability of deformable bodies. Flexural and helical (torsional) buckling modes are considered. It is proved that the helical (torsional) buckling modes occur in a single CNT (the interaction of neighboring CNTs is neglected) and do not occur in nanocomposites (the interaction of neighboring CNTs is taken into account) __________ Translated from Prikladnaya Mekhanika, Vol. 42, No. 1, pp. 23–37, January 2006.     

On the van der Waals interaction of carbon nanotubes as electromechanical nanothermometers

Electromechanical carbon nanothermometers are devices that work based on the interactions and relative motions of double-walled carbon nanotubes (DWCNTs). In this paper, the mechanics of carbon nanotubes (CNTs) constituting two well-known configurations for nanothermometer, namely shuttle configuration and telescope configuration are fully investigated. Lennard-Jones (LJ) potential function along with the continuum approximation is employed to investigate van der Waals (vdW) interactions between the interacting entities. Accordingly, semi-analytical expressions in terms of single integrals are obtained for vdW interactions. Acceptance condition and suction energy are studied for the shuttle configuration. In addition, a universal potential energy is presented for the shuttle configuration consisting of two finite CNTs. Also, for the telescope configuration, extensive studies are performed on the distributions of potential energy and interaction force for various radii and lengths of CNTs. It is found that these geometrical parameters have a considerable effect on the potential energy.     

Conservation and Balance Laws in Linear Elasticity of Grade Three

In the present paper we investigate conservation and balance laws in the framework of linear elastodynamics considering the strain energy density depending on the gradients of the displacement up to the third order, as originally proposed by Mindlin (Int. J. Solids Struct. 1, 417–438, 1965). The conservation and balance laws that correspond to the symmetries of translation, rotation, scaling and addition of solutions are derived using Noether’s theorem. Also, the formulas of the dynamical J,L and M-integrals are presented for the problem under study. Moreover, the balance law of addition of solutions gives rise to explore the dynamical reciprocal theorem as well as the restrictions under which it is valid.      

On the importance of thermo-elastic cooling in the fracture of glassy polymers at high rates

In a previous thermo-mechanical analysis [Estevez, R., Basu, S., van der Giessen, E., 2005. Analysis of temperature effects near mode I cracks in glassy polymers. Int. J. Fract. 132, 249–273] in which shear yielding of the bulk and failure by crazing were accounted for, we examined which of these two viscoplastic processes contributed to heat in mode I fracture. The present study completes this work by investigating the conditions for thermo-elastic cooling prior to crack propagation as reported experimentally by Rittel [Rittel, D., 1998. Experimental investigation of transient thermo-elastic effects in dynamic fracture. Int. J. Solids Struct. 35, 2959–2973] and Bougaut and Rittel [Bougaut, O., Rittel, D., 2001. On crack tip cooling during dynamic crack propagation. Int. J. Solids Struct. 38, 2517–2532] on high strain rate loading of PMMA. To this end, coupled thermo-mechanical finite element simulations are carried out by accounting for the thermo-elastic source, in addition to the heat sources related to shear yielding and crazing. The bulk as well as cohesive zone parameters for crazing realistically describe PMMA as they are obtained from detailed calibration experiments. Our results show that if significant thermo-elastic cooling has to be observed in the vicinity of the crack tip of a polymeric material, suppression of shear yielding as well as suppression of crazing is necessary. It seems that at these high strain rates a brittle fracture mechanism activated at very high stresses takes over from crazing, or at least that craze initiation occurs for stress levels very different to those for quasi-static conditions.     

Axisymmetric compressive buckling of multi-walled carbon nanotubes under different boundary conditions

The paper studies the axisymmetric compressive buckling behavior of multi-walled carbon nanotubes (MWNTs) under different boundary conditions based on continuum mechanics model. A buckling condition is derived for determining the critical buckling load and associated buckling mode of MWNTs, and numerical results are worked out for MWNTs with different aspect ratios under fixed and simply supported boundary conditions. It is shown that the critical buckling load of MWNTs is insensitive to boundary conditions, except for nanotubes with smaller radii and very small aspect ratio. The associated buckling modes for different layers of MWNTs are in-phase, and the buckling displacement ratios for different layers are independent of the boundary conditions and the length of MWNTs. Moreover, for simply supported boundary conditions, the critical buckling load is compared with the corresponding one for axial compressive buckling, which indicates that the critical buckling load for axial compressive buckling can be well approximated by the corresponding one for axisymmetric compressive buckling. In particular, for axial compressive buckling of double-walled carbon nanotubes, an analytical expression is given for approximating the critical buckling load. The present investigation may be of some help in further understanding the mechanical properties of MWNTs.     

Dispersion of multi-walled carbon nanotubes in PDMS/PB blend

In this study, the sequential dispersion of multi-walled carbon nanotubes (CNTs) in PDMS/PB (polydimethylsiloxane/polybutene) blends and the change of blend morphology by the dispersion of CNTs were investigated by rheological and morphological observations. The dispersion of CNTs into PDMS/PB blend was accomplished by the dilution of the CNT master (2?wt.% CNT in PDMS) in PDMS/PB blend using an extensional mixer. The morphological study shows that under the extensional flow, CNTs in the dispersed CNT master phase are mainly broken up by tip-streaming and the continuous pinching-off of PDMS drops during morphology evolution enhances the dispersion of CNT. It has been shown that CNTs can be disentangled as in the case of dispersing CNTs in a Boger fluid. Rheological data and TEM observations show that it is not simply a mixing of two phases and the CNTs in the master phase can be dispersed in the single CNT level.     

Determination of hourglass coefficients in the theory of a Cosserat point for nonlinear elastic beams

The theory of a Cosserat point has recently been used [Int. J. Solids Struct. 38 (2001) 4395] to formulate the numerical solution of problems of nonlinear elastic beams. In that theory the constitutive equations for inhomogeneous elastic deformations included undetermined constants associated with hourglass modes which can occur due to nonuniform cross-sectional extension and nonuniform torsion. The objective of this paper is to determine these hourglass coefficients by matching exact solutions of pure bending and pure torsion applied in different directions on each of the surfaces of the element. It is shown that the resulting constitutive equations in the Cosserat theory do not exhibit unphysical stiffness increases due to thinness of the beam, mesh refinement or incompressibility that are present in the associated Bubnov–Galerkin formulation. Also, example problems of a bar hanging under its own weight and a bar attached to a spinning rigid hub are analyzed.