Numerical characterization of CNT-based polymer composites considering interface effects

Carbon nanotubes (CNTs) possess exceptional mechanical properties and are therefore suitable candidates for use as reinforcements in composite materials. Load transfer in nanocomposite materials is achieved through the CNT/matrix interface. Thus, to determine nanocomposite mechanical properties, the interface behavior must be determined. In this investigation, finite element method is used to investigate the effects of interface strength on effective CNT-based composite mechanical properties. Nanocomposite mechanical properties are evaluated using a 3D nanoscale representative volume element (RVE). A single nanotube and the surrounding polymer matrix are modeled. Two cases of perfect bonding and an elastic interface are considered. For the perfect bonding interface, the no slip conditions are applied. To better investigate the elastic interface behavior, two models are proposed for this type of interface. The first elastic interface model consists of a thin layer of an elastic material surrounding the CNT. In the second elastic interface model, a series of spring elements are used as the nanotube/matrix interface. The results of numerical models indicate the importance of adequate interface bonding for a more effective strengthening of polymer matrix by CNT’s.     

Effects of interface characteristics on mechanical properties of carbon nanotube reinforced polymer composites

Abstract

Carbon nanotubes (CNTs) possess exceptional mechanical properties and are therefore suitable candidates for use as reinforcements in composite materials. To take full advantage of their exceptional properties, load sharing mechanisms needs to be understood in the composite materials. Load transfer in composites is achieved through the fibre/matrix interface. In the present paper, finite element method is used to investigate the effects of interface behaviour on carbon nanotube based composite mechanical properties. The effective nanocomposite mechanical properties are evaluated using a three-dimensional nanoscale representative volume element (RVE). In this RVE approach, a single nanotube and the surrounding polymer matrix are modelled. Two cases of perfect bonding and an elastic interface are considered. In addition, the rule of mixtures relations is used to validate the results of numerical models. The results indicate that mechanical properties of nanocomposite materials are significantly influenced by the interface strength.     

Effect of carbon nanotube orientation on the mechanical properties of nanocomposites

Carbon nanotubes (CNTs) have been regarded as ideal reinforcements of high-performance composites with enormous applications. In this paper, nano-structure is modeled as a linearly elastic composite medium, which consists of a homogeneous matrix having hexagonal representative volume elements (RVEs) and homogeneous cylindrical nanotubes with various inclination angles. Effects of inclined carbon nanotubes on mechanical properties are investigated for nano-composites using 3-D hexagonal representative volume element (RVE) with short and straight CNTs. The CNT is modeled as a continuum hollow cylindrical shape elastic material with different angles. The effect of the inclination of the CNT and its parameters is studied. Numerical equations are used to extract the effective material properties for the hexagonal RVE under axial as well as lateral loading conditions. The computational results indicated that elastic modulus of nano-composite is remarkably dependent on the orientation of the dispersed SWNTs. It is observed that the inclination significantly reduces the effective Young’s modulus of elasticity under an axial stretch. When compared with lateral loading case, effective reinforcement is found better in axial loading case. The effective moduli are very sensitive to the inclination and this sensitivity decreases with the increase of the waviness. In the case of short CNTs, increasing trend is observed up to a specific value of waviness index. It is also found from the simulation results that geometry of RVE does not have much significance on stiffness of nano-structures. The results obtained for straight CNTs are consistent with ERM results for hexagonal RVEs, which validate the proposed model results.     

Fabrication and characterization of carbon nanotube reinforced poly(methyl methacrylate) nanocomposites

Multiwall carbon nanotube (CNT) reinforced poly(methyl methacrylate) (PMMA) nanocomposites have been successfully fabricated with melt blending. Two melt blending approaches of batch mixing and continuous extrusion have been used and the properties of the derived nanocomposites have been compared. The interaction of PMMA and CNTs, which is crucial to greatly improve the polymer properties, has been physically enhanced by adding a third party of poly(vinylidene fluoride) (PVDF) compatibilizer. It is found that the electrical threshold for both PMMA/CNT and PMMA/PVDF/CNT nanocomposites lies between 0.5 to 1 wt% of CNTs. The thermal and mechanical properties of the nanocomposites increase with CNTs and they are further increased by the addition of PVDF For 5 wt% CNT reinforced PMMA/PVDF/CNT nanocomposite, the onset of decomposition temperature is about 17 degrees C higher and elastic modulus is about 19.5% higher than those of neat PMMA. Rheological study also shows that the CNTs incorporated in the PMMA/PVDF/CNT nanocomposites act as physical cross-linkers.     

The effects of carbon nanotube orientation and aggregation on vibrational behavior of functionally graded nanocomposite cylinders by a mesh-free method

In this paper, axisymmetric natural frequencies of nanocomposite cylinders reinforced by straight single-walled carbon nanotubes are presented based on a mesh-free method. The straight carbon nanotubes (CNTs) are oriented, aligned or randomly or locally aggregated into some clusters. Volume fractions of the CNTs and clusters are assumed to be functionally graded along the thickness, so material properties of the carbon nanotube reinforced composite cylinders are variable and are estimated based on the Eshelby–Mori–Tanaka approach. In the mesh-free analysis, moving least squares shape functions are used for an approximation of the displacement field in the weak form of motion equation, and the transformation method is used for the imposition of essential boundary conditions. The effects of orientation and aggregation of the functionally graded CNT are studied. It is observed that kind of distributions, aggregation or even randomly orientations of CNTs has significant effect on the effective stiffness and frequency parameter.     

Microstructures and tensile behavior of carbon nanotube reinforced Cu matrix nanocomposites

Carbon nanotubes (CNTs) have been considered as an ideal reinforcement to improve the mechanical performance of monolithic materials. However, the CNT/metal nanocomposites have shown lower strength than expected. In this study, the CNT reinforced Cu matrix nanocomposites were fabricated by spark plasma sintering (SPS) of high energy ball-milled nano-sized Cu powders with multi-wall CNTs, and followed by cold rolling process. The microstructure of CNT/Cu nanocomposites consists of two regions including CNT/Cu composite region, where most CNTs are distributed, and CNT free Cu matrix region. The stress–strain curves of CNT/Cu nanocomposites show a two-step yielding behavior, which is caused from the microstructural characteristics consisting of two regions and the load transfer between these regions. The CNT/Cu nanocomposites show a tensile strength of 281 MPa, which is approximately 1.6 times higher than that of monolithic Cu. It is confirmed that the key issue to enhance the strength of CNT/metal nanocomposite is homogeneous distribution of CNTs.     

Mechanical properties of carbon nanotube reinforced polymer nanocomposites: A coarse-grained model

In this work, a coarse-grained (CG) model of carbon nanotube (CNT) reinforced polymer matrix composites is developed. A distinguishing feature of the CG model is the ability to capture interactions between polymer chains and nanotubes. The CG potentials for nanotubes and polymer chains are calibrated using the strain energy conservation between CG models and full atomistic systems. The applicability and efficiency of the CG model in predicting the elastic properties of CNT/polymer composites are evaluated through verification processes with molecular simulations. The simulation results reveal that the CG model is able to estimate the mechanical properties of the nanocomposites with high accuracy and low computational cost. The effect of the volume fraction of CNT reinforcements on the Young's modulus of the nanocomposites is investigated. The application of the method in the modeling of large unit cells with randomly distributed CNT reinforcements is examined. The established CG model will enable the simulation of reinforced polymer matrix composites across a wide range of length scales from nano to mesoscale.     

Mechanical properties of carbon nanotubes and their polymer nanocomposites

More than 10 years have passed since carbon nanotubes (CNT) have been found during observations by transmission electron microscopy (TEM). Since then, one of the major applications of the CNT is the reinforcements of plastics in processing composite materials, because it was found by experiments that CNT possessed splendid mechanical properties. Various experimental methods are conducted in order to understand the mechanical properties of varieties of CNT and CNT-based composite materials. The systematized data of the past research results of CNT and their nanocomposites are extremely useful to improve processing and design criteria for new nanocomposites in further studies. Before the CNT observations, vapor grown carbon fibers (VGCF) were already utilized for composite applications, although there have been only few experimental data about the mechanical properties of VGCF. The structure of VGCF is similar to that of multi-wall carbon nanotubes (MWCNT), and the major benefit of VGCF is less commercial price. Therefore, this review article overviews the experimental results regarding the various mechanical properties of CNT, VGCF, and their polymer nanocomposites. The experimental methods and results to measure the elastic modulus and strength of CNT and VGCF are first discussed in this article. Secondly, the different surface chemical modifications for CNT and VGCF are reviewed, because the surface chemical modifications play an important role for polymer nanocomposite processing and properties. Thirdly, fracture and fatigue properties of CNT/polymer nanocomposites are reviewed, since these properties are important, especially when these new nanocomposite materials are applied for structural applications.     

Modeling the effective elastic properties of nanocomposites with circular straight CNT fibers reinforced in the epoxy matrix

In the present study, the consistent effective elastic properties of straight, circular carbon nanotube epoxy composites are derived using the micromechanics theory. The CNT composites are known to provide high stiffness and elastic properties when the shape of the fibers is cylindrical and straight. Accordingly, in the present work, the effective elastic moduli of composite are newly obtained for straight, circular CNTs aligned in the specified direction as well as distributed randomly in the matrix. In this direction, novel analytical expressions are proposed for four cases of fiber property. First, aligned, and straight CNTs are considered with transverse isotropy in fiber coordinates, and the composite properties are also transversely isotropic in global coordinates. The short comings in the earlier developments are effectively addressed by deriving the consistent form of the strain tensor and the stiffness tensor of the CNT nanocomposite. Subsequently, effective relations for composites reinforced with aligned, straight CNTs but fibers isotropic in local coordinates are newly developed under hydrostatic loading. The effect of the unsymmetric Eshelby tensor for cylindrical fibers on the overall properties of the nanocomposite is included by deriving the strain concentration tensors. Next, the random distribution of CNT fibers in the matrix is studied with fibers being transversely isotropic as well as isotropic when CNT nanocomposites are subjected to uniform loading. The corresponding relations for the effective elastic properties are newly derived. The modeling technique is validated with results reported, and the variations in the effective properties for different CNT volume fractions are presented.     

Interface tailoring to enhance mechanical properties of carbon nanotube reinforced magnesium composites

This study highlights the use of a metallic coating of nanoscale thickness on carbon nanotube to enhance the interfacial characteristics in carbon nanotube reinforced magnesium (Mg) composites. Comparisons between two reinforcements were targeted: (a) pristine carbon nanotubes (CNTs) and (b) nickel-coated carbon nanotubes (Ni–CNTs). It is demonstrated that clustering adversely affects the bonding of pristine CNTs with Mg particles. However, the presence of nickel coating on the CNT results in the formation of Mg₂Ni intermetallics at the interface which improved the adhesion between Mg/Ni–CNT particulates. The presence of grain size refinement and improved dispersion of the Ni–CNT reinforcements in the Mg matrix were also observed. These result in simultaneous enhancements of the micro-hardness, ultimate tensile strength and 0.2% yield strength by 41%, 39% and 64% respectively for the Mg/Ni–CNT composites in comparison with that of the monolithic Mg.     

Application of cryomilling to enhance material properties of carbon nanotube reinforced chitosan nanocomposites

Cryomilled multiwall carbon nanotube (MWCNT) reinforced chitosan nanocomposites having improved conductivity have been prepared by solution casting method. The MWCNTs were crushed to smaller particles via cryomilling, which was effective in cleaving the nanotubes regularly as well as in reducing the entanglements and agglomeration. The cryomilled CNTs were chemically oxidized by acid and base methods, where basic oxidation generated high graphitic structure. The cryomilled and oxidized CNTs were characterized by XRD, Raman spectroscopy, FTIR and SEM. The conductivity of the nanocomposites was improved by cryomilling and it was further improved by chemical oxidation. Base oxidized cryomilled CNT/chitosan nanocomposites showed large improvement in conductivity compared to all other nanocomposites having 1 wt.% CNT content. Thermal stability and tensile properties of the CNT/chitosan nanocomposites also have been improved significantly by the incorporation of acid and base oxidized cryomilled CNTs. SEM picture of the fractured surface and FTIR showed nano-level dispersion of the functionalized CNTs and good chemical interaction between chitosan and CNTs respectively.     

Experimental-computational study of shear interactions within double-walled carbon nanotube bundles

The mechanical behavior of carbon nanotube (CNT)-based fibers and nanocomposites depends intimately on the shear interactions between adjacent tubes. We have applied an experimental-computational approach to investigate the shear interactions between adjacent CNTs within individual double-walled nanotube (DWNT) bundles. The force required to pull out an inner bundle of DWNTs from an outer shell of DWNTs was measured using in situ scanning electron microscopy methods. The normalized force per CNT-CNT interaction (1.7 ± 1.0 nN) was found to be considerably higher than molecular mechanics (MM)-based predictions for bare CNTs (0.3 nN). This MM result is similar to the force that results from exposure of newly formed CNT surfaces, indicating that the observed pullout force arises from factors beyond what arise from potential energy effects associated with bare CNTs. Through further theoretical considerations we show that the experimentally measured pullout force may include small contributions from carbonyl functional groups terminating the free ends of the CNTs, corrugation of the CNT-CNT interactions, and polygonization of the nanotubes due to their mutual interactions. In addition, surface functional groups, such as hydroxyl groups, that may exist between the nanotubes are found to play an unimportant role. All of these potential energy effects account for less than half of the ~1.7 nN force. However, partially pulled-out inner bundles are found not to pull back into the outer shell after the outer shell is broken, suggesting that dissipation is responsible for more than half of the pullout force. The sum of force contributions from potential energy and dissipation effects are found to agree with the experimental pullout force within the experimental error.     

Al/CNT nanocomposite fabrication on the different property of raw material using a planetary ball mill

In recent years, significant research has been focused on the development of carbon nanotube (CNT) reinforced aluminum nanocomposites, which are quickly emerging because of their lightweight, high strength and other mechanical properties. The potential applications of these composites include the automotive and aerospace industries. In this study, powder metallurgy techniques are employed to fabricate aluminum (Al)/CNT nanocomposites with different raw material properties with optimized conditions. We successfully fabricated three different samples, including un-milled Al, un-milled Al with CNT and milled Al with CNT nanocomposites, in the presence of additional CNTs with various experimental conditions using a planetary ball mill. Scanning electron microscopy and field emission scanning electron microscopy are used to evaluate the particle morphology and CNT dispersion. The CNTs are well dispersed on the surface of the fabricated milled Al with CNT nanocomposites than un-milled Al with CNT nanocomposites for milling. The fabricated Al/CNT nanocomposites are processed by a compacting, sintering and rolling process. Vickers hardness measurements are used to characterize the mechanical properties. The hardness of the Al/CNT nanocomposites are improved milled Al with CNT nanocomposite compared other fabricated composites.     

Effects of carbon black-carbon nanotube complex fillers on the properties of isotactic polypropylene nanocomposites

In this study, the reinforcing effects of carbon black (CB) and carbon nanotube (CNT) complex fillers on the properties of isotactic polypropylene (iPP) nanocomposites were investigated using various methods. The surface of the CNTs was modified using a linear alkyl chain in order to create a homogeneous CNT dispersion in the iPP matrix. When the CB content that was incorporated in the iPP matrix increased, the thermal and mechanical properties of the iPP/CB nanocomposites were enhanced. Additionally these enhancements in the properties were similarly induced by introducing a small amount of alkylated CNTs (a-CNTs). In contrast, the CB/a-CNT complex filler was more effective for the iPP nanocomposites than the CB or a-CNT single filler in terms of the thermal stability and the electrical properties. However, the mechanical properties of the CB/a-CNT complex filler incorporated iPP nanocomposites were poorer than the only a-CNT incorporated iPP nanocomposites. Additionally, the complex filler did not overcome the nucleation behavior of the a-CNTs in the re-crystallization of iPP.     

Dispersion and functionalization of carbon nanotubes for polymer-based nanocomposites: A review

Carbon nanotubes (CNTs) hold the promise of delivering exceptional mechanical properties and multi-functional characteristics. Ever-increasing interest in applying CNTs in many different fields has led to continued efforts to develop dispersion and functionalization techniques. To employ CNTs as effective reinforcement in polymer nanocomposites, proper dispersion and appropriate interfacial adhesion between the CNTs and polymer matrix have to be guaranteed. This paper reviews the current understanding of CNTs and CNT/polymer nanocomposites with two particular topics: (i) the principles and techniques for CNT dispersion and functionalization and (ii) the effects of CNT dispersion and functionalization on the properties of CNT/polymer nanocomposites. The fabrication techniques and potential applications of CNT/polymer nanocomposites are also highlighted.     

Micromechanics modeling of the electrical conductivity of carbon nanotube (CNT)–polymer nanocomposites

A mixed micromechanics model was developed to predict the overall electrical conductivity of carbon nanotube (CNT)–polymer nanocomposites. Two electrical conductivity mechanisms, electron hopping and conductive networks, were incorporated into the model by introducing an interphase layer and considering the effective aspect ratio of CNTs. It was found that the modeling results agree well with the experimental data for both single-wall carbon nanotube and multi-wall carbon nanotube based nanocomposites. Simulation results suggest that both electron hopping and conductive networks contribute to the electrical conductivity of the nanocomposites, while conductive networks become dominant as CNT volume fraction increases. It was also indicated that the sizes of CNTs have significant effects on the percolation threshold and the overall electrical conductivity of the nanocomposites. This developed model is expected to provide a more accurate prediction on the electrical conductivity of CNT–polymer nanocomposites and useful guidelines for the design and optimization of conductive polymer nanocomposites.     

Tensile strength of glass fibres with carbon nanotube–epoxy nanocomposite coating: Effects of CNT morphology and dispersion state

The effects of carbon nanotube (CNT)–epoxy nanocomposite coating applied to glass fibre surface on tensile strength of single glass fibres are evaluated at different gauge lengths. The crack healing efficiencies obtained using two different types of CNTs with different structures, morphologies and dispersion characteristics in various concentrations are specifically studied. The results indicate that the tensile strength of single fibres increased significantly with increasing CNT content up to a certain level, depending on the type of CNTs. The crack healing efficiency was much higher for the fibres coated with straight, less entangled CNTs than those with highly entangled CNTs, indicating the CNT dispersion state in the coating played an important role. A strong correlation is established between the CNT dispersion state, the tensile properties of nanocomposite and the tensile strengths of fibres with the nanocomposite coating.     

A comprehensive study on thermal conductivities of wavy carbon nanotube-reinforced cementitious nanocomposites

The thermal conductivities of cementitious nanocomposites reinforced by wavy carbon nanotubes (CNTs) are determined by the effective medium (EM) micromechanics-based method. The nanocomposite is composed of sinusoidally wavy CNTs as reinforcement and cement paste as matrix. The interfacial region between the CNTs and cementitious material is considered in the analysis. The effects of volume fraction and waviness parameters of CNTs, interfacial thermal resistance, type of CNTs placement within the matrix including aligned or randomly oriented CNTs, cement paste properties on the thermal conductivity coefficients of the nanocomposite are studied. The estimated values of the model are in very good agreement with available experimental data. Two parameters of CNT waviness and interfacial region contributions should be included in the modeling to predict realistic results for both aligned and randomly oriented CNT-reinforced nanocomposites. The results reveal that thermal conductivities K₂₂ (transverse in-plane thermal conductivity) and K₃₃ (longitudinal in-plane thermal conductivity) of the nanocomposites are remarkably dependent on the CNT waviness. Also, it is found that the CNT waviness moderately affects the thermal conductivity of a cementitious nanocomposite containing randomly oriented CNTs. However, the non-straight shape of CNTs does not influence the value of thermal conductivity K₁₁ (transverse out of plane thermal conductivity). The achieved results can be useful to guide the design of cementitious nanocomposites with optimal thermal conductivity properties.     

Temperature dependence of electrical conductivity in double-wall and multi-wall carbon nanotube/polyester nanocomposites

The aim of this study is to investigate temperature dependence of electrical conductivity of carbon nanotube (CNT)/polyester nanocomposites from room temperature to 77 K using four-point probe test method. To produce nanocomposites, various types and amounts of CNTs (0.1, 0.3 and 0.5 wt.%) were dispersed via 3-roll mill technique within a specially formulized resin blend of thermoset polyesters. CNTs used in the study include multi walled carbon nanotubes (MWCNT) and double-walled carbon nanotubes (DWCNT) with and without amine functional groups (–NH₂). It was observed that the incorporation of carbon nanotubes into resin blend yields electrically percolating networks and electrical conductivity of the resulting nanocomposites increases with increasing amount of nanotubes. However, nanocomposites containing amino functionalized carbon nanotubes exhibit relatively lower electrical conductivity compared to those with non-functionalized carbon nanotubes. To get better interpretation of the mechanism leading to conductive network via CNTs with and without amine functional groups, the experimental results were fitted to fluctuation-induced tunneling through the barriers between the metallic regions model. It was found that the results are in good agreement with prediction of proposed model.     

Role of structure and morphology in the elastic modulus of carbon nanotube composites

The nature of nanoscale reinforcements in the carbon nanotube composites indicates nanocomposite properties are heavily dependent on the micro/nano-structure and morphology. Macroscopic parameter-based properties estimation may lead to deviation as large as 30%. In this paper, a modified shear-lag model, combined with probability statistical theory and composites morphology, is established to investigate the elastic properties of single wall carbon nanotubes (SWNTs)-reinforced polymer composites. The computational results indicated that elastic modulus of nanocomposite was remarkably dependent on the micro/nano-structure, including diameter, length, and orientation of the dispersed SWNTs. Microstructure-dependent shape factor and orientation effect factor played a key role on achieving high-performance nanocomposites. Elastic modulus of nanocomposite with well-dispersed carbon nanotubes was more susceptible to the orientation. Similarly, nanocomposite modulus was more subject to the dispersion influence when SWNTs were well-aligned. The maximal modulus was located in the zone of small rope diameters and small orientation angles when adequate interfacial bonding was provided. The computational results were also compared with experimental outcome and demonstrated good consistence.