Variational principles for buckling and vibration of MWCNTs modeled by strain gradient theory

Variational principles for the buckling and vibration of multi-walled carbon nanotubes （MWCNTs） are established with the aid of the semi-inverse method. They are used to derive the natural and geometric boundary conditions coupled by small scale parameters. Hamilton＇s principle and Rayleigh＇s quotient for the buckling and vibration of the MWCNTs are given. The Rayleigh-Ritz method is used to study the buckling and vibration of the single-walled carbon nanotubes （SWCNTs） and double-walled carbon nanotubes （DWCNTs） with three typical boundary conditions. The numerical results reveal that the small scale parameter, aspect ratio, and boundary conditions have a profound effect on the buckling and vibration of the SWCNTs and DWCNTs.     

Small-scale effect on torsional buckling of multi-walled carbon nanotubes

The small-scale effect on the torsional buckling of multi-walled carbon nanotubes coupled with temperature change is investigated in this paper. A nonlocal multiple-shell model for the multi-walled carbon nanotubes surrounded an elastic medium under torsional and thermal loads is established, and then general solutions are obtained from the governing equations. The influence of the nonlocal effect on critical shear force and change in temperature is investigated. It is demonstrated that the critical shear force could be overestimated by the classical continuum theory and the nonlocal effect on critical buckling force decreases as the change in temperature increases at room or low temperature but increases as the change in temperature increases at higher temperature. Meanwhile, the effect of small size-scale is dependent on the buckling mode under different thermal environments. It is also shown that the innermost radius and the number of layer can affect the small-scale effect on critical change in temperature and buckling shear force. When the ratio of tube length and outmost radius are given, the critical shear force in each layer decreases and the nonlocal effect on the critical shear force becomes weaker as the innermost radius and the layer number increase.     

Molecular mechanics method applied to problems of stability and natural vibrations of single-layer carbon nanotubes

The molecular mechanics (MM) method is used to determine the frequencies and natural vibration shapes and to determine the buckling critical parameters and the postcritical deformation shapes of single-walled carbon nanotubes with twisted ends. The following two variants of the MM method are used: the standard MM method and the mixed method of molecular mechanics/molecular structure mechanics method (MM/MSM). Computer simulation shows that the MM/MSM method allows one to obtain acceptable values of frequencies and natural vibration shapes as well as of critical angles of twist, appropriate buckling modes, and postcritical deformation configurations of nanotubes compared with the same characteristics of nanotube free vibrations and buckling obtained by the standard MM method.     

Critical velocities in fluid-conveying single-walled carbon nanotubes embedded in an elastic foundation

The problem of stability of fluid-conveying carbon nanotubes embedded in an elastic medium is investigated in this paper. A nonlocal continuum mechanics formulation, which takes the small length scale effects into consideration, is utilized to derive the governing fourth-order partial differential equations. The Fourier series method is used for the case of the pinned–pinned boundary condition of the tube. The Galerkin technique is utilized to find a solution of the governing equation for the case of the clamped–clamped boundary. Closed-form expressions for the critical flow velocity are obtained for different values of the Winkler and Pasternak foundation stiffness parameters. Moreover, new and interesting results are also reported for varying values of the nonlocal length parameter. It is observed that the nonlocal length parameter along with the Winkler and Pasternak foundation stiffness parameters exert considerable effects on the critical velocities of the fluid flow in nanotubes.     

Prediction of buckling characteristics of carbon nanotubes

In this paper, to investigate the buckling characteristics of carbon nanotubes, an equivalent beam model is first constructed. The molecular mechanics potentials in a C–C covalent bond are transformed into the form of equivalent strain energy stored in a three dimensional (3D) virtual beam element connecting two carbon atoms. Then, the equivalent stiffness parameters of the beam element can be estimated from the force field constants of the molecular mechanics theory. To evaluate the buckling loads of multi-walled carbon nanotubes, the effects of van-der Waals forces are further modeled using a newly proposed rod element. Then, the buckling characteristics of nanotubes can be easily obtained using a 3D beam and rod model of the traditional finite element method (FEM). The results of this numerical model are in good agreement with some previous results, such as those obtained from molecular dynamics computations. This method, designated as molecular structural mechanics approach, is thus proved to be an efficient means to predict the buckling characteristics of carbon nanotubes. Moreover, in the case of nanotubes with large length/diameter, the validity of Euler’s beam buckling theory and a shell model with the proper material properties defined from the results of present 3D FEM beam model is investigated to reduce the computational cost. The results of these simple theoretical models are found to agree well with the existing experimental results.     

Application of nonlocal beam models for carbon nanotubes

Investigations of wave and vibration properties of single- or multi-walled carbon nanotubes based on nonlocal beam models have been reported recently. However, there are numerous inconsistencies in the handling of the governing equations, applied forces, and boundary conditions based on some of the reported nonlocal beam models. In this paper, the consistent equations of motion for the nonlocal Euler and Timoshenko beam models are provided, and some issues on the nonlocal beam theories are discussed. The models are then applied to the studies of wave properties of single- and double-walled nanotubes. The wave and vibration properties of the nanotubes based on the presented nonlocal beam equations are studied, and scale effects are discussed.     

单壁碳纳米管屈曲的原子/连续介质混合模型

用数学和力学研究所，上海 200072)//力学学报.--2004,36(6).--744～748 提供了一种运用原子/连续介质混合(hybrid atomic/continuum,HAC)方法解决纳米力学问题的思路. 通过在连续介质力学模型中引入利用分子力学方法获得物性参数，建立了预测单壁碳纳米管临界屈曲参数的HAC模型. 结果表明, HAC模型具有与连续介质力学模型可比拟的简洁性, 同时可表征纳米管微观结构特征对屈曲参数的影响. 计算结果表明，Zigzag纳米管的抗屈曲性能优于Armchair纳米管. 基于Tersoff-Brenner作用势的分子动力学结果证实了这一结论.     

Dynamic torsional buckling of multi-walled carbon nanotubes embedded in an elastic medium

In this paper the dynamic torsional buckling of multi-walled carbon nanotubes （MWNTs） embedded in an elastic medium is studied by using a continuum mechanics model. By introducing initial imperfections for MWNTs and applying the preferred mode analytical method, a buckling condition is derived for the buckling load and associated buckling mode. In particular, explicit expressions are obtained for embedded double-walled carbon nanotubes （DWNTs）. Numerical results show that, for both the DWNTs and embedded DWNTs, the buckling form shifts from the lower buckling mode to the higher buckling mode with increasing the buckling load, but the buckling mode is invari- able for a certain domain of the buckling load. It is also indicated that, the surrounding elastic medium generally has effect on the lower buckling mode of DWNTs only when compared with the corresponding one for individual DWNTs.     

Nonlocal beam theory for nonlinear vibrations of embedded multiwalled carbon nanotubes in thermal environment

A nonlocal elastic beam model is developed to investigate the small scale effects on the large-amplitude vibration analysis of embedded multiwalled carbon nanotubes (MWCNTs) at an elevated temperature. The nested slender nanotubes are coupled with each other through the van der Waals (vdW) interlayer interaction. The curvature-dependent vdW force employed incorporates not only pairwise nearest-neighbor but also nonneighbor interactions between nested nanotubes. The incremental harmonic balance method is adopted to analytically solve the nonlinear equations that are governed by the vibrations of nested nanotubes. The influences of small scale parameter, geometrical parameters, temperature rise, and the elastic medium are fully examined.     

范德华力对多壁纳米碳管力学性质的影响

用分子动力学方法模拟了多壁纳米碳管在压缩、弯曲变形下力与变形的关系．通过与组成多壁碳管的各单壁碳管的比较分析,揭示了多壁纳米碳管层间范德华力对碳管力学性质的影响．采用Tersoff-Brenner势描述每一单壁纳米碳管内原子间作用,采用Lennard-Jones势描述碳管壁间范德华力．计算结果表明：多壁纳米碳管的比强度明显高于单壁纳米碳管．纳米碳管的半径虽然对杨氏模量影响不大,但对纳米碳管的曲屈行为影响却相当显著。     

Axially compressed buckling of pressured multiwall carbon nanotubes

This paper studies axially compressed buckling of an individual multiwall carbon nanotube subjected to an internal or external radial pressure. The emphasis is placed on new physical phenomena due to combined axial stress and radial pressure. According to the radius-to-thickness ratio, multiwall carbon nanotubes discussed here are classified into three types: thin, thick, and (almost) solid. The critical axial stress and the buckling mode are calculated for various radial pressures, with detailed comparison to the classic results of singlelayer elastic shells under combined loadings. It is shown that the buckling mode associated with the minimum axial stress is determined uniquely for multiwall carbon nanotubes under combined axial stress and radial pressure, while it is not unique under pure axial stress. In particular, a thin N-wall nanotube (defined by the radius-to-thickness ratio larger than 5) is shown to be approximately equivalent to a single layer elastic shell whose effective bending stiffness and thickness are N times the effective bending stiffness and thickness of singlewall carbon nanotubes. Based on this result, an approximate method is suggested to substitute a multiwall nanotube of many layers by a multilayer elastic shell of fewer layers with acceptable relative errors. Especially, the present results show that the predicted increase of the critical axial stress due to an internal radial pressure appears to be in qualitative agreement with some known results for filled singlewall carbon nanotubes obtained by molecular dynamics simulations.     

A nonlocal continuum model for the buckling of carbon honeycombs

Using molecular dynamics (MD) simulations and Eringen’s nonlocal elasticity theory, in this paper we comprehensively study the small-scale effects on the buckling behaviours of carbon honeycombs (CHCs). The MD simulation results show that the small-scale effects stemming from the long-range van der Waals interaction between carbon atoms can significantly affect the buckling behaviours of CHCs. To incorporate the small-scale effects into the theoretical analysis of the buckling of CHCs, we develop a nonlocal continuum mechanics (CM) model by employing Eringen’s nonlocal elasticity theory. Our nonlocal CM model is found to fit MD simulations well by setting the nonlocal parameter in the nonlocal CM model as 0.67. It is shown in our MD-based nonlocal CM model that when the cell length of CHCs is smaller than 7.93 Å the influence of small-scale effects on the bucking of CHCs becomes unnegligible and the small-scale effects can greatly reduce the critical buckling stress of CHCs. This reduction in critical buckling stress induced by the small-scale effects becomes more significant as the length of the cell wall decreases. Moreover, CHCs are found to display two different buckling modes when they are under different states of loading. The critical condition for the transition between these two buckling modes of CHCs can be greatly affected by the small-scale effects when the vertical cell wall and the inclined cell wall of CHCs have different lengths.     

The effects of chirality and boundary conditions on the mechanical properties of single-walled carbon nanotubes

The effects of chirality and boundary conditions on the elastic properties and buckling behavior of single-walled carbon nanotubes are investigated using atomistic simulations. The influences of the tube length and diameter are also included. It is found that the elastic properties of carbon nanotubes at small deformations are insensitive to the tube chirality and boundary conditions during compression. However, for large deformations occurred upon both compression and bending, the tube buckling behavior is shown to be very sensitive to both tube chirality and boundary conditions. Therefore, while the popular continuum thin shell model can be successfully applied to describe nanotube elastic properties at small deformation such as the Young’s modulus, it cannot correctly account for the buckling behavior. These results may allow better evaluation of nanotube mechanical properties via appropriate atomistic simulations.     

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.     

Small-scale effects on the buckling of quadrilateral nanoplates based on nonlocal elasticity theory using the Galerkin method

The elastic buckling behavior of quadrilateral single-layered graphene sheets (SLGS) under bi-axial compression is studied employing nonlocal continuum mechanics. Small-scale effects are taken into consideration. The principle of virtual work is employed to derive the governing equations. The Galerkin method in conjunction with the natural coordinates of the nanoplate is used as a basis for the analysis. The buckling load of skew, rhombic, trapezoidal, and rectangular nanoplates considering various geometrical parameters are obtained. It is shown that nonlocal effects are very important in arbitrary quadrilateral graphene sheets and their inclusion results in smaller buckling loads. Also the effects of geometrical parameters such as aspect ratio, angle, and mode number on the buckling load decrease when scale coefficient increases, for all arbitrary quadrilateral SLGS.     

Nonequilibrium molecular dynamics for bulk materials and nanostructures

We describe a method of constructing exact solutions of the equations of molecular dynamics in non-equilibrium settings. These solutions correspond to some viscometric flows, and to certain analogs of viscometric flows for fibers and membranes that have one or more dimensions of atomic scale. This work generalizes the method of objective molecular dynamics (OMD) (Dumitric? and James, 2007). It allows us to calculate viscometric properties from a molecular-level simulation in the absence of a constitutive equation, and to relate viscometric properties directly to molecular properties. The form of the solutions is partly independent of the form of the force laws between atoms, and therefore these solutions have implications for coarse-grained theories. We show that there is an exact reduction of the Boltzmann equation corresponding to one family of OMD solutions. This reduction includes most known exact solutions of the equations of the moments for special kinds of molecules and gives the form of the molecular density function corresponding to such flows. This and other consequences leads us to propose an addition to the principle of material frame indifference, a cornerstone of nonlinear continuum mechanics. The method is applied to the failure of carbon nanotubes at an imposed strain rate, using the Tersoff potential for carbon. A large set of simulations with various strain rates, initial conditions and two choices of fundamental domain (unit cell) give the following unexpected results: Stone-Wales defects play no role in the failure (though Stone-Wales partials are sometimes seen just prior to failure), a variety of failure mechanisms is observed, and most simulations give a strain at failure of 15-20%, except those done with initial temperature above about 1200 K and at the lower strain rates. The latter have a strain at failure of 1-2%.     

Nonlinear in-plane thermal buckling of rotationally restrained functionally graded carbon nanotube reinforced composite shallow arches under uniform radial loading

The nonlinear in-plane instability of functionally graded carbon nanotube reinforced composite (FG-CNTRC) shallow circular arches with rotational constraints subject to a uniform radial load in a thermal environment is investigated. Assuming arches with thickness-graded material properties, four different distribution patterns of carbon nanotubes (CNTs) are considered. The classical arch theory and Donnell’s shallow shell theory assumptions are used to evaluate the arch displacement field, and the analytical solutions of buckling equilibrium equations and buckling loads are obtained by using the principle of virtual work. The critical geometric parameters are introduced to determine the criteria for buckling mode switching. Parametric studies are carried out to demonstrate the effects of temperature variations, material parameters, geometric parameters, and elastic constraints on the stability of the arch. It is found that increasing the volume fraction of CNTs and distributing CNTs away from the neutral axis significantly enhance the bending stiffness of the arch. In addition, the pretension and initial displacement caused by the temperature field have significant effects on the buckling behavior.     

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综述了连续介质方法在碳纳米管研究中的最新进展. 主要叙述梁、壳模型, 膜模型,多尺度方法,分子结构力学方法,非局部连续介质方法,以及无网格法的基本原理、 基本方法,及其最新进展,指出其局限性,并预测连续介质方法在碳纳米管研究的发展趋势 和方向.     

Stability analysis of gradient elastic beams by the method of initial value

The buckling of a bar is studied analytically on the basis of a simple linear theory of gradient elasticity in the frame of the method of initial values. The method of initial values provides the values of the displacements and stress resultants throughout the bar once the initial displacements and initial stress resultants are known. We use probably for the first time the method of initial values to get critical loads of a strain gradient beam under completely different boundary conditions at the two end faces of the beam. Exact carryover matrix is presented for the classical beam and gradient beam analytically. The first mode shapes of classical beam and gradient beam are plotted. The method of initial values is also applied to the beams with variable cross-section. The priorities of the method of initial values are depicted. The variational approach gives a sixth-order ordinary differential equation for a beam in buckling. The additional boundary conditions are used to obtain critical loads. It is observed that critical loads increase dramatically for increasing values of the gradient coefficient.