Multi-scale modeling of tensile behavior of carbon nanotube-reinforced composites

A multi-scale representative volume element (RVE) for modeling the tensile behavior of carbon nanotube-reinforced composites is proposed. The RVE integrates nanomechanics and continuum mechanics, thus bridging the length scales from the nano- through the mesoscale. A progressive fracture model based on the modified Morse interatomic potential is used for simulating the behavior of the isolated carbon nanotubes and the FE method for modeling the matrix and building the RVE. Between the nanotube and the matrix a perfect bonding is assumed until the interfacial shear stress exceeds the corresponding strength. Then, nanotube/matrix debonding is simulated by prohibiting load transfer in the debonded region. Using the RVE, a unidirectional nanotube/polymer composite was modeled and the results were compared with corresponding rule-of-mixtures predictions. A significant enhancement in the stiffness of the polymer owing to the adding of the nanotubes is predicted. The effect of interfacial shear strength on the tensile behavior of the nanocomposite was also studied. Stiffness is found to be unaffected while tensile strength to significantly decrease with decreasing the interfacial shear strength.     

A single degree of freedom ‘lollipop’ model for carbon nanotube bundle formation

Current carbon nanotube (CNT) synthesis methods include the production of ordered, free-standing vertically aligned arrays, the properties of which are partially governed by interactions between adjacent tubes. Using material parameters determined by atomistic methods, here we represent individual CNTs by a simple single degree of freedom ‘lollipop’ model to investigate the formation, mechanics, and self-organization of CNT bundles driven by weak van der Waals interactions. The computationally efficient simple single degree of freedom model enables us to study arrays consisting of hundreds of thousands of nanotubes. The effects of nanotube parameters such as aspect ratio, bending stiffness, and surface energy, on formation and bundle size, as well as the intentional manipulation of bundle pattern formation, are investigated. We report studies with both single wall carbon nanotubes (SWCNTs) and double wall carbon nanotubes (DWCNTs) with varying aspect ratios (that is, varying height). We calculate the local density distributions of the nanotube bundles and show that there exists a maximum attainable bundle density regardless of an increase in surface energy for nanotubes with given spacing and stiffness. In addition to applications to CNTs, our model can also be applied to other types of nanotube arrays (e.g. protein nanotubes, polymer nanofilaments).     

NONLINEAR DYNAMIC INSTABILITY OF DOUBLE-WALLED CARBON NANOTUBES UNDER PERIODIC EXCITATION

A multiple-elastic beam model based on Euler-Bernoulli-beam theory is presented to investigate the nonlinear dynamic instability of double-walled nanotubes. Taking the geometric nonlinearity of structure deformation, the effects of van der Waals forces as well as the non- coaxial curvature of each nested tube into account, the nonlinear parametric vibration governing equations are derived. Numerical results indicate that the double-walled nanotube （DWNT） can be considered as a single column when the van der Waals forces are sufficiently strong. The stiffness of medium could substantially reduce the area of the nonlinear dynamic instability region, in particular, the geometric nonlinearity can be out of account when the stiffness is large enough. The area of the principal nonlinear instability region and its shifting distance aroused by the nonlinearity both decrease with the increment of the aspect ratio of the nanotubes.     

EFFECTS OF DIFFERENT FUNCTIONALIZATION SCHEMES ON THE INTERFACIAL STRENGTH OF CARBON NANOTUBE POLYETHYLENE COMPOSITE

The mechanical performance of carbon nanotube(CNT) reinforced polymer composites is primarily controlled by the dispersive capacity and interfacial shear strength of CNTs in polymer matrices. CNT functionalizations will improve dispersion and strengthen interfacial bonding of CNTs in matrices. To understand the effects of different functionalization schemes on the interfacial strength of CNT-polymer composites, pullout of the covalent, noncovalent, and mixed functionalized single-walled carbon nanotube(SWCNT) from polyethylene(PE) matrix was simulated by using molecular dynamics, respectively. The results show that the SWCNT-PE interfacial shear strength is significantly improved by SWCNT functionalizations, particularly by mixed functionalization.     

Analysis of the vibrational behavior of the composite cylinders reinforced with non-uniform distributed carbon nanotubes using micro-mechanical approach

Nanocomposites are a promising new class of structural materials for the aerospace structural components. This paper presents a detailed theoretical investigation of dynamic characteristics of cylinders made of carbon nanotube-reinforced composites. The cylinders are modeled as a cylindrical shell consisting of an isotropic matrix reinforced with transversely isotropic carbon nanotubes. Two different types of carbon nanotube reinforcements are considered: single-walled carbon nanotubes (SWNTs) and multi-walled carbon nanotubes (MWNTs). The effects of carbon nanotube aspect ratio, dispersion, alignment and volume fraction on the elastic modulus are analyzed using the Eshelby–Mori–Tanaka theory. Mass and stiffness matrices are obtained via Ritz method and natural frequencies of the structure are derived through solving the eigenvalue problem. Finally, the effects of the CNT distribution on mode shapes and natural frequencies are discussed.     

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.     

Axial buckling of multi-walled carbon nanotubes and nanopeapods

In this paper, we investigate both pre- and post-buckling behaviors of multi-walled carbon nanotubes and multi-walled carbon nanopeapods by incorporating into the applied forces of a prescribed beam equation both van der Waals interactions between the adjacent walls of the nanotubes and the interactions between the fullerenes and the inner wall of the nanotube. Two beam theories are employed. First, we utilize Donnell’s equilibrium equation to derive an axial stability condition for the multi-walled carbon nanotubes and multi-walled carbon nanopeapods. We then determine analytically the critical forces for single-walled and double-walled nanotubes and nanopeapods. Given the outer nanotube of a fixed radius, we observe that the critical force and strain derived from the axial buckling stability criterion decrease as a result of the molecular interactions between the adjacent layers of the nanotubes and the molecular interactions between the embedded fullerenes and the inner carbon nanotube, which is in agreement with existing literature. Next, we utilize an Euler–Bernoulli beam equation incorporating the curvature effect to obtain the post-buckled axial bending displacement for the multi-walled nanotubes and nanopeapods. We find that the interactions between molecules generate an inward force, which tends to resist any applied forces. While the inward force induced by the fullerenes to the inner wall of the nanotube vanishes as we increase the applied force, the inward force induced by the layers increases as the applied force increases. The main contribution of this paper is the incorporation of both van der Waals interactions and the curvature effect into prescribed beam theories to accurately measure the critical forces and the buckled displacements of multi-walled nanotubes and nanopeapods subject to a small external force. Our analysis is relevant to future nano devices, such as biological sensors and measuring devices for small forces arising from electrical charges or Casimir forces.     

Investigation of stress-strain behavior of single walled carbon nanotube/rubber composites by a multi-scale finite element method

The excellent properties of carbon nanotubes have generated technological interests in the development of nanotube/rubber composites. This paper describes a finite element formulation that is appropriate for the numerical prediction of the mechanical behavior of rubber-like materials which are reinforced with single walled carbon nanotubes. The considered composite material consists of continuous aligned single walled carbon nanotubes which are uniformly distributed within the rubber material. It is assumed that the carbon nanotubes are imperfectly bonded with the matrix. Based on the micromechanical theory, the mechanical behavior of the composite may be predicted by utilizing a representative volume element. Within the representative volume element, the reinforcement is modeled according to its atomistic microstructure. Therefore, non-linear spring-based line elements are employed to simulate the discrete geometrical structure and behavior of the single-walled carbon nanotube. On the other hand, the matrix is modeled as a continuum medium by utilizing solid elements. In order to describe its behavior an appropriate constitutive material model is adopted. Finally, the interfacial region is simulated via the use of special joint elements of variable stiffness which interconnect the two materials in a discrete manner. Using the proposed multi-scale model, the stress-strain behavior for various values of reinforcement volume fraction and interfacial stiffness is extracted. The influence of the single walled carbon nanotube addition within the rubber is clearly illustrated and discussed.     

Nonlinear analysis of a SWCNT over a bundle of nanotubes

The deformation of a single wall carbon nanotube (SWCNT) interacting with a curved bundle of nanotubes is analyzed. The SWCNT is modeled as a straight elastic inextensible beam based on small deformation. The bundle of nanotubes is assumed rigid and the interaction is due to the van der Waals forces. An analytical solution is obtained using a bilinear approximation to the van der Waals forces. The analytical results are in good agreement with the results of two numerical methods. The results indicate that the SWCNT remains near the curved bundle provided that its curvature is below a critical value. For curvatures above this critical value the SWCNT breaks contact with the curved bundle and nearly returns to its straight position. A parameter study shows that the critical curvature depends on the stiffness of the SWCNT and the absolute minimum energy associated with the van der Waals forces but it is independent of the SWCNT's length in general. An analytical estimate of the critical curvature is developed. The results of this study may be applicable to composites of nanotubes where separation phenomena are suspected to occur.     

Multi-Scale Experiments and Interfacial Mechanical Modeling of Carbon Nanotube Fiber

The multi-scale deformation and interfacial mechanical behavior of carbon nanotube fibers with multi-level structures are investigated by experimental and theoretical methods. Multi-scale experiments including uniaxial tensile testing, in situ Raman spectroscopy, and scanning electron microscopy are conducted to measure the mechanical response of multi-level structures within the fiber under tension. A two-level interfacial mechanical model is then presented to analyze the interfacial bonding strength of mesoscopic bundles and microscopic nanotubes. The evolution characteristics of multi-scale deformation of the fiber are described based on experimental characterization and interfacial strength analysis. The strengthening mechanism of the fiber is further studied. Comprehensive analysis shows that the property of multi-level interfaces is a critical factor for the fiber strength and toughness. Finally, the method of improving the mechanical properties of fiber-based materials is discussed. The result can be used to guide multi-level interface engineering of carbon nanotube fibers and fiber-based composites to produce high performance materials.     

Estimation of material properties of nanocomposite structures

A method for the numerical modelling of mechanical behaviour of nanocomposite materials reinforced with the carbon nanotubes, based on computational homogenization as a multi-scale method, is presented. Since the carbon nanotube inside of the representative volume element (RVE) is modelled as a space frame structure, theoretical background and a proper way of modelling of carbon nanotubes is given. Novelty in this paper is an incorporation of interactions, based on the weak van der Waals forces and modelled by nonlinear rod elements, into a multiscale model as described below. An algorithm is developed for analysis of those interactions. Since the problem of modelling nanocomposite structures is a three-dimensional multi-scale problem, one part of this work is dedicated to multi-scale modelling methods, especially to the first order computational homogenization. Computational homogenization and representative volume element are the basis of the presented numerical model of the nanocomposites. Nano scale model is based on beam and non-linear rod finite elements. For the purpose of the software verification, examples, i.e. models of the nanocomposite material are presented. Obtained results are compared with the results given by the other authors.     

石墨烯/碳纳米管增强氧化铝陶瓷涂层的制备及摩擦学性能的研究

对碳纳米管进行混杂功能化处理,并与石墨烯,氧化铝按一定配比制成骨料,与胶黏剂混合充分,采用手工涂覆,低温固化的方法在304不锈钢表面制备复合陶瓷涂层.对混杂碳纳米管分子组成进行了表征;对涂层的微观结构,石墨烯和碳纳米管的分散性,涂层的显微硬度、断裂韧性、涂层与基体的结合强度及摩擦学性能进行了分析.结果表明:混杂处理的碳纳米管表面既接枝了活性基团同时也包覆了表面活性剂,复合涂层结构致密,石墨烯和混杂处理的碳纳米管均匀分散在涂层中,且复合涂层的硬度、断裂韧性、结合强度和耐磨减摩性能明显提高.     

VIBRATION OF FLUID-FILLED MULTI-WALLED CARBON NANOTUBES SEEN VIA NONLOCAL ELASTICITY THEORY

Vibration characteristics of fluid-filled multi-walled carbon nanotubes axe studied by using nonlocal elastic Fliigge shell model. Vibration governing equations of an N-layer carbon nanotube are formulated by considering the scale effect. In the numerical simulations, the effects of different theories, small-scale, variation of wavenumber, the innermost radius and length of double- walled and triple-walled carbon nanotubes are considered. Vibrational frequencies decrease with an increase of scale coefficient, the innermost radius, length of nanotube and effects of wall number are negligible. The results show that the cut-off frequencies can be influenced by the wall number of nanotubes.     

Micromechanics and macromechanics of carbon nanotube-enhanced elastomers

The effects of carbon nanotubes on the mechanical behavior of elastomeric materials is investigated. The large deformation uniaxial tension and uniaxial compression stress-strain behaviors of a representative elastomer are first presented. This elastomer is then reinforced with multi-wall carbon nanotubes (MWNTs) and the influence of weight fraction of MWNTs on the large deformation behavior of the resulting composite is quantified. The initial stiffness and subsequent strain-induced stiffening at large strains are both found to increase with MWNT content. The MWNTs are also found to increase both the tensile strength and the tensile stretch at break. A systematic approach for reducing the experimental data to isolate the MWNT contribution to the strain energy of the composite is presented. A constitutive model for the large strain deformation behavior of MWNT-elastomer composites is then developed. The effects of carbon nanotubes are modeled via a constitutive element which tracks the stretching and rotation of a distribution of wavy carbon nanotubes. The MWNT strain energy contribution is due to the bending/unbending of the initial waviness and provides the increase in initial stiffness as well as the retention and further enhancement of the increase in stiffness with large strains. The model is shown to track the stretching and rotation of the CNTs with macroscopic strain as well as predict the dependence of the macroscopic stress-strain behavior on the MWNT content for both uniaxial tension and uniaxial compression.     

典型纳尺度结构的热振动

热振动是一定温度下纳尺度结构的固有运动,对其动力学行为有着重要的影响.当空间进入纳米尺度,结构呈现离散性,量子效应、边界效应、范德华力等变得不可忽略,纳尺度结构在热噪声随机激励下的动力学行为表现出众多异乎寻常的特性.以碳纳米管和石墨烯为代表的纳尺度碳材料具有优良的力学、电学和化学性质.在此介绍多种针对纳尺度结构热振动问题的研究方法、及碳纳米管和石墨烯的低温热振动、碳纳米管的非线性热振动研究进展.     

Effects of shear deformation on vibration of doublewalled carbon nanotubes embedded in an elastic medium

In this study, free vibration of simply supported multi-walled carbon nanotubes (CNTs) embedded in an elastic medium was investigated by using the generalized shear deformation-beam theory (GSDBT). The effects of surrounding elastic medium, which is considered as a spring, defined by the Winkler model, and van der Waals forces from adjacent nanotubes are taken into account. Third-order shear deformation (TOSD) theory is used to study free vibration of a multi-walled carbon nanotube embedded in an elastic medium. Unlike Timoshenko beam theory, TOSD theory satisfies zero traction boundary conditions on the upper and lower surface of the structures, so there is no need to use a shear correction factor. Free vibration frequencies and amplitude ratios were obtained for various sides to thickness ratios and elastic medium effects and results are compared with previous studies. The results showed that significant difference exist between TOSD and Euler beam theory. It is also interesting to note that, although frequency parameter is increasing by increasing stiffness of embedded medium, amplitude ratios are insensitive to stiffness of embedded elastic medium. Dedicated to the honorable memory of my beloved mother Fatma Aydogdu (Romania,1933-Tekirdag, August 7, 2007)     

Asymptotic dynamic modeling and response of hysteretic nanostructured beams

Nonlinear Dynamics - The nonlinear dynamic response of carbon nanotube (CNT)/polymer nanocomposite beams to harmonic base excitations is investigated asymptotically via the method of multiple...     

Modelling temperature-dependent fracture nucleation of SWCNTs using atomistic-based continuum theory

The fracture behaviour of carbon nanotubes depends largely on temperature, defect distribution, and geometric features. In this paper, the effect of temperature upon fracture nucleation of single-walled carbon nanotubes (SWCNTs) is investigated using an atomistic-based continuum theory. The temperature effects are described in terms of a modified Cauchy–Born rule based on the assumptions that the deformation is sufficiently small and locally homogeneous. Furthermore, it is assumed that the atoms have the same local vibration mode at a given temperature. The first derivative of the free energy density, which is a function of both the deformation gradient and the temperature, enables the determination of the second Piola–Kirchhoff stress. In the present study, the fracture nucleation is modelled as a bifurcation of a homogeneously deformed nanotube at a critical strain. The model predictions show that the fracture strain decreases with increasing temperature, while the elastic stiffness remains largely unchanged.     

Bending and local buckling of a nanocomposite beam reinforced by a single-walled carbon nanotube

This paper studies the pure bending and bending-induced local buckling of a nanocomposite beam reinforced by a single-walled carbon nanotube (SWNT). The Airy stress-function method was employed to analyse the deformation of the matrix, and the cross-sectional change of the SWNT in bending was taken into account. A particular consideration was given to the effect of the SWNT’s radial flexibility on the strain/stress states and buckling. It was found that in thicker matrix layers the SWNT buckles locally at smaller bending angles and greater flattening ratios. This causes higher strains/stresses in the surrounding matrix and in turn degrades the strength of the nanocomposite structure.