Evaluating the effects of multi-walled carbon nanotubes on the mechanical properties of chopped strand mat/polyester composites

In this research, the influence of adding multi-walled carbon nanotubes at various contents on the mechanical properties of chopped strand mat/polyester composites was investigated. Initially, the effect of the sonication time on the dispersion of carbon nanotube at the highest weight ratio (0.5 wt.%) was inspected. To achieve this goal, a new technique based on scanning electron microscopy, which utilizes the burn-off test, was introduced to visualize the dispersion state of carbon nanotubes. Subsequently, the effect of addition of multi-walled carbon nanotube on the tensile and flexural properties of the fiber reinforced composites was studied. The results of mechanical tests showed that adding only 0.05 wt.% carbon nanotube enhanced the flexural strength of the hybrid composite by 45% while the tensile strength was not changed significantly. Improvements in the tensile and flexural moduli were also observed. Moreover, theoretical relations between the tensile, flexural and compressive moduli based on the classical beam theory were employed to determine the effect of carbon nanotube on the compressive modulus of composites. The theoretical result showed 31% enhancement in the compressive modulus.     

Mechanical characterization of single-walled carbon nanotubes: Numerical simulation study

The mechanical behaviour of non-chiral and chiral single-walled carbon nanotubes under tensile and bending loading conditions is investigated. For this purpose, three-dimensional finite element modelling is used in order to evaluate the tensile and bending rigidities and, subsequently, the Young's moduli. It is shown that the evolution of rigidity, tensile and bending, as a function of diameter can be described by a unique function for non-chiral and chiral single-walled nanotubes, i.e. regardless of the index or angles of chirality. A comprehensive study of the influence of the nanotube wall thickness and diameter on the Young's modulus values is also carried out. It is established that the evolution of the Young's modulus as a function of the inverse of the wall thickness follows a quasi-linear trend for nanotubes with diameters larger than 1.085 nm. The current numerical simulation results are compared with data reported in the literature. This work provides a benchmark in relation to ascertaining the mechanical properties of chiral and non-chiral single-walled carbon nanotubes by nanoscale continuum models.     

数值模拟碳纳米管增强铝基复合材料的力学性能

本文根据连续介质理论,采用代表性体积元的方法计算了碳纳米管增强铝基复合材料的力学性能。使用有限元软件ABAQUS对代表性体积元模型进行分析,研究了不同碳纳米管体积分数对复合材料弹性模量、屈服强度、泊松比及剪切模量的影响。结果表明碳纳米管体积分数对复合材料力学性能有显著影响,随着碳纳米管体积分数的增加,复合材料的弹性模量、屈服强度及剪切强度都明显提高,泊松比略有下降。     

Three Phase Composite Cylinder Assemblage Model for Analyzing the Elastic Behavior of MWCNT-Reinforced Polymers

Evolution of computational modeling and simulation has given more emphasis on the research activities related to carbon nanotube (CNT) reinforced polymer composites recently. This paper presents the composite cylinder assemblage (CCA) approach based on continuum mechanics for investigating the elastic properties of a polymer resin reinforced by multi-walled carbon nanotubes (MWCNTs). A three-phase cylindrical representative volume element (RVE) model is employed based on CCA technique to elucidate the effects of inter layers, chirality, interspacing, volume fraction of MWCNT, interphase properties and temperature conditions on the elastic modulus of the composite. The interface region between CNT and polymer matrix is modeled as the third phase with varying material properties. The constitutive relations for each material system have been derived based on solid mechanics and proper interfacial traction continuity conditions are imposed. The predicted results from the CCA approach are in well agreement with RVE-based finite element model. The outcomes reveal that temperature softening effect becomes more pronounced at higher volume fractions of CNTs.     

Chirality dependence of carbon single-walled nanotube material properties: axial Young's modulus

The potential use of individual carbon nanotubes as nano devices warrants detailed investigation of their mechanical behavior based on structural and geometrical configurations. The objective of this paper is to unravel the structural and chirality dependence of the axial Young's modulus of a carbon single-walled nanotube by analytical and numerical approaches. In this work, we employ the general homogenization composite shell model developed based on the asymptotic homogenization technique for analytical modeling of single-walled nanotubes. We derive the working formulae for the effective elastic properties of carbon single-walled nanotube of any chirality and predict the structural and chiral dependence of the effective axial Young's modulus of the nanotube. Also, a finite element analysis on the chirality dependence of the axial Young's modulus of the carbon nanotube is reported. The outcomes of our analyses are compared with available experimental and simulation results.     

Mechanical properties of carbon nanotube by molecular dynamics simulation

The mechanical properties of single-walled carbon nanotube (SWCNT) are computed and simulated by using molecular dynamics (MD) in this paper. From the MD simulation for an armchair SWCNT whose diameter is 1.2 nm and length is 4.7 nm, we get that its Young modulus is 3.62 TPa, and tensile strength is 9.6 GPa. It is shown that the Young modulus and tensile strength of armchair SWCNTs are 12 order higher than those of ordinary metal materials. Therefore we can draw a conclusion that carbon nanotubes (CNT) belong to a particular material with excellent mechanical properties.     

Effect of matrix glass transition on reinforcement efficiency of epoxy-matrix composites with single walled carbon nanotubes,multi-walled carbon nanotubes,carbon nanofibers and graphite

This study compares the mechanical and thermal properties of glassy and rubbery epoxy–matrix composites reinforced with 1 and 4 wt.% single-walled carbon nanotubes (SWCNTs), multi-walled carbon nanotubes (MWCNTs), graphite, and carbon nanofibers (CNFs). The tensile modulus of most glassy composites was higher than that of the epoxy and increased with higher filler concentration and 4% graphite/epoxy and 4% SWCNT/epoxy exhibited approximately the same highest tensile modulus. The elongation of glassy composites was significantly lower than that of the epoxy and decreased with increasing filler loading. Most rubbery composites showed a higher tensile modulus and elongation than the epoxy and the modulus increased with rising filler content and 4% SWCNT/epoxy showed the highest tensile modulus and tensile strength. In the rubbery regime, glassy and rubbery composites displayed a higher storage modulus than the corresponding epoxy and 4 wt.% SWCNT/epoxy composites showed a 300% improvement in storage modulus compared to the epoxy.     

A theoretical investigation of thermal effects on vibrational behaviors of single-walled carbon nanotubes

Thermal effects on the vibrational behaviors and dynamic Young’s modulus of single-walled carbon nanotubes (SWCNTs) are investigated through both constant temperature molecular dynamics (MD) simulation and modified molecular structural mechanics (MMSM) modeling. The MD simulation incorporates a modified Nosé-Hoover thermostat model to control the system temperature. In the MMSM modeling, the covalent and nonbonded interactions between carbon atom pairs are modeled with the second generation force field and the Lennard-Jones potential, respectively, where the covalent bonds are treated as Euler-Bernoulli beam and the temperature-dependent bond length and angle are determined through the Badger’s rule and MD simulation. The results derived from these two approaches are compared with each other and the published theoretical and experimental data. Results show that the dynamic Young’s modulus of the SWCNTs tends to be smaller than the published static one obtained from uniaxial tensile tests, and their natural frequency and dynamic Young’s modulus would decrease with increasing temperature. Moreover, a comparable frequency ratio of the first two flexural modes is achieved by these two approaches. The frequency ratio is highly dependent on their aspect ratio but independent of temperature, and would converge to the literature experimental data (about 6.1-6.2) as the aspect ratio becomes very large.     

Fabrication and characterization of nano-particles-enhanced epoxy

Epoxy has been widely used as adhesives in retrofitting structures with carbon fiber reinforced polymer (CFRP). In this study, different weight fractions of multi-walled carbon nanotubes (MWCNTs) and Silicon Carbide nanopowder (SiC) will be dispersed into epoxy to produce toughened adhesives that can effectively improve the CFRP/structure bonding performance. The preliminary experimental results indicate that adding 2 wt.% MWCNTs into Araldite-420 will increase its ultimate strength by 17% and its elastic modulus by 14%. On the other hand, Araldite-420’s elastic modulus will increase by nearly 50% when 1.0 wt.% of SiC powder is added. Ultrasonic mixing may increase the elastic modulus of Sikadur-30 but reduce its strength and ductility regardless of the amount of nanoparticles dispersed. No significant effect of nano-particle infusion on the glass transition temperature of the epoxies was found. The mechanism of nanoparticles infusion effects on the mechanical properties of the epoxies is also examined using SEM.     

Thermo-mechanical properties of randomly oriented carbon/epoxy nanocomposites

The thermo-mechanical properties of epoxy-based nanocomposites based on low weight fractions (from 0.01 to 0.5 wt%) of randomly oriented single- and multi-walled carbon nanotubes were examined. Preparation methods for the nanocomposites, using two types of epoxy resins, were developed and good dispersion was generally achieved. The mechanical properties examined were the tensile Young's modulus by Dynamic Mechanical Thermal Analysis and the toughness under tensile impact using notched specimens. Moderate Young's modulus improvements of nanocomposites were observed with respect to the pure matrix material. A particularly significant enhancement of the tensile impact toughness was obtained for specific nanocomposites, using only minute nanotube weight fractions. No significant change in the glass transition temperature of SWCNT/epoxy nanocomposites was observed, compared to that of the epoxy matrix. The elastic modulus of the SWNT-based nanocomposites was found to be slightly higher than the value predicted by the Krenchel model for short-fiber composites with random orientation.     

石墨烯-多壁碳纳米管协同增强环氧树脂复合材料的低温力学性能

为了提高环氧树脂的低温力学性能,采用石墨烯与多壁碳纳米管(MWCNTs)协同改性环氧树脂,系统研究了石墨烯-MWCNTs/环氧树脂复合材料的室温(RT)和低温(77K)力学性能。结果表明:当石墨烯的质量分数为0.1wt%,MWCNTs的质量分数为0.5wt%时,纳米填料的加入可同时改善环氧树脂的低温拉伸强度、弹性模量和冲击强度;在此最佳含量下,石墨烯-MWCNTs/环氧树脂复合材料在RT和77K时的拉伸强度皆达到最大值,比纯环氧树脂的拉伸强度分别提高了11.04%和43.78%。石墨烯和MWCNTs能协同提高环氧树脂的低温力学性能。     

A study on the prediction of the mechanical properties of nanoparticulate composites using the homogenization method with the effective interface concept

A sequential multi‐scale homogenization method combined with molecular dynamics (MD) simulation is developed for the mechanical characterization of nanoparticulate composites. In order to characterize the particle‐size effect of nanocomposites, the effective interface, which has been adopted in continuum micromechanics approaches, is considered as the characteristic phase. Owing to the existence of the interface and the size‐dependent elastic modulus that is observed from MD simulations, an analysis of the mechanical properties of nanocomposites with continuum micromechanics requires careful consideration of the particle‐concentration effect. Therefore, this study focuses on hierarchical information transfer from the molecular model to the continuum model through the homogenization method in lieu of an analytical micromechanics bridging method. Using the present multi‐scale homogenization method, the elastic properties of the effective interface are numerically evaluated and compared with the analytically obtained micromechanics solutions. In addition, the overall elastic modulus of nanocomposites is obtained from the present model and compared with the results of MD simulation, the micromechanics bridging model, and finite‐element analysis (FEA). Copyright © 2010 John Wiley & Sons, Ltd.     

Static and dynamic mechanical properties of polydimethylsiloxane/carbon nanotube nanocomposites

The purpose of this study is to investigate the static and dynamic mechanical properties of polydimethylsiloxane (PDMS) and the mixture of PDMS and carbon nanotubes. The PDMS/CNT nanocomposites were stirred by an ultrasonic instrument to prevent agglomerations. The tested specimens of nanocomposites were manufactured by using the thermoforming method at 150 °C for 15 min. A micro tensile tester was adopted in this testing system with a maximum load of 500 mN and a crosshead extension of 150 mm. The static elastic modulus can be calculated by means of a tensile test and the average elastic modulus of pure PDMS is 1.65 MPa. In addition, the Nano Bionix tensile tester was also used to perform the dynamic mechanical analysis. Its dynamic frequency range is from 0.1 Hz to 2.5 KHz. The dynamic properties of PDMS/CNT nanocomposites such as storage and loss modulus can be obtained by this system. The storage modulus increased with the CNT content and also with the higher frequencies. Finally, the nanoindentation measurement system was employed to characterize the mechanical properties of PDMS and PDMS/CNTs. The measurement results of elastic modulus by a nanoindentation test have the similar trend with the results obtained by the tensile test method.     

The revolutionary creation of new advanced materials—carbon nanotube composites

Since the discovery of carbon nanotubes at the beginning of the last decade, extensive research related to the nanotubes in the fields of chemistry, physics, materials science and engineering, and electrical and electronic engineering has been found increasingly. The nanotubes, having an extreme small physical size (diameter ≈1 nm) and many unique mechanical and electrical properties depending on its hexagonal lattice arrangement and chiral vector have been appreciated as ideal fibres for nanocomposite structures. It has been reported that the nanotubes own a remarkable mechanical properties with theoretical Young's modulus and tensile strength as high as 1 TPa and 200 GPa, respectively. Since the nanotubes are highly chemical insert and able to sustain a high strain (10–30%) without breakage, it could be foreseen that nanotube-related structures could be designed for nanoinstrument to create ultra-small electronic circuits and used as strong, light and high toughness fibres for nanocomposite structures. In this paper, recent researches and applications on carbon nanotubes and nanotube composites are reviewed. The interfacial bonding properties, mechanical performance and reliability of nanotube/polymer composites will be discussed.     

Modeling and mechanical performance of carbon nanotube/epoxy resin composites

The effect of multi-walled carbon nanotube (MWCNT) addition on mechanical properties of epoxy resin was investigated to obtain the tensile strength, compressive strength and Young’s modulus from load versus displacement graphs. The result shows that the tensile strength, compressive strength and Young’s modulus of epoxy resin were increased with the addition of MWCNT fillers. The significant improvements in tensile strength, compressive strength and Young’s modulus were obtained due to the excellent dispersion of MWCNT fillers in the epoxy resin. The dispersion of MWCNT fillers in epoxy resin was observed by scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis.Also, Halpin–Tsai model was modified by considering the average diameter of internal/external of multi-walled nanotube and orientation factor (α) to calculate the Young’s modulus of multi-walled carbon nanotubes (MWCNTs)/epoxy resin composite. There was a good correlation between the experimentally obtained Young’s modulus and modified Halpin–Tsai model.     

Mechanical property evaluation of single-walled carbon nanotubes by finite element modeling

Computational simulation for predicting mechanical properties of carbon nanotubes (CNTs) has been adopted as a powerful tool relative to the experimental difficulty. Based on molecular mechanics, an improved 3D finite element (FE) model for armchair, zigzag and chiral single-walled carbon nanotubes (SWNTs) has been developed. The bending stiffness of the graphene layer has been considered. The potentials associated with the atomic interactions within a SWNT were evaluated by the strain energies of beam elements which serve as structural substitutions of covalent bonds. The out-of-plane deformation of the bonds was distinguished from the in-plane deformation by considering an elliptical cross-section for the beam elements. The elastic stiffness of graphene has been studied and the rolling energy per atom has been calculated through the analysis of rolling a graphene sheet into a SWNT to validate the proposed FE model. The effects of diameters and helicity on Young’s modulus and the shear modulus of SWNTs were investigated. The simulation results from this work are comparable to both experimental tests and theoretical studies from the literatures.     

改性碳纳米管处理碳纤维的效果表征

采用浓硫酸/浓硝酸氧化处理多壁碳纳米管(MWCNTs),再将氧化后的碳纳米管与硅烷偶联剂(KH560)进行接枝,制备了硅烷偶联剂表面化学修饰的MWCNTs。在此基础上,将改性前后的碳纳米管分散在环氧树脂体系中,涂覆处理碳纤维。研究处理前后碳纤维力学性能和界面性能的变化。通过红外光谱(FTIR)和透射电镜(TEM)分析,表明KH560已成功接枝到多壁碳纳米管上;通过分散性实验证明了改性后的碳纳米管分散性提高;对处理后的碳纤维进行力学性能测试,并用扫描电镜(SEM)观察分析断面形态变化,结果表明,当碳纳米管的含量为0.5%时,改性碳纳米管处理的碳纤维拉伸强度和拉伸模量分别提高23.83%和7.11%,界面性能增强。     

A comparative study of Young’s modulus of single-walled carbon nanotube by CPMD, MD and first principle simulations

Carbon nanotubes (CNTs), due to their exceptional magnetic, electrical and mechanical properties, are promising candidates for several technical applications ranging from nanoelectronic devices to composites. Young’s modulus holds the special status in material properties and micro/nano-electromechanical systems (MEMS/NEMS) design. The excellently regular structures of CNTs facilitate accurate simulation of CNTs’ behavior by applying a variety of theoretical methods. Here, three representative numerical methods, i.e., Car–Parrinello molecular dynamics (CPMD), density functional theory (DFT) and molecular dynamics (MD), were applied to calculate Young’s modulus of single-walled carbon nanotube (SWCNT) with chirality (3,3). The comparative studies showed that the most accurate result is offered by time consuming DFT simulation. MD simulation produced a less accurate result due to neglecting electronic motions. Compared to the two preceding methods the best performance, with a balance between efficiency and precision, was deduced by CPMD.     

碳纳米管含量对铝基复合材料力学性能的影响

采用搅拌摩擦加工技术制备了多壁碳纳米管增强铝基(MWCNTs/Al)复合材料,研究了碳纳米管含量对复合材料力学性能的影响规律。结果表明,MWCNTs的添加对铝基复合材料的力学性能影响显著,随着MWCNTs含量的增加,MWCNTs/Al复合材料的硬度、弹性模量、强度都逐渐提高;当碳纳米管含量为6.6%(体积分数)时,复合材料强度达218 MPa,为基体材料的2.24倍;随MWCNTs含量的增加,MWCNTs/Al复合材料的塑性逐渐变差,拉伸延伸率逐渐降低,断口韧窝逐渐变小、变浅。     

Computational Studies on Mechanical and Thermal Properties of Carbon Nanotube Based Nanostructures

The excellent set of properties of carbon nanotube and carbon nanotube-based nanostructures has been established by various studies. However the claimed property values and trends have not been unanimously agreed upon. Using state of the art molecular dynamics and ab initio methods, we have extensively studied the mechanical, thermal and structural properties of carbon nanotubes and carbon nanotube based nanostructures. Additionally this study aims to address the approaches used in various studies to assess the validity and influence of various definitions used for determining the physical properties as reported in earlier experiments and theoretical calculations. We have come up with equations, which quantitatively address the wide differences in trend and values of nanotube axial modulus available across the literature. Applying a novel bond rearrangement scheme, we have found similar values in twist modulus of zigzag and armchair nanotubes. This opposes the claim of difference that was shown to be valid only at finite limit in our study. We have shown that the contribution of van der Waals energy in a multi-wall nanotube is powerful enough to make it hexagonal in shape but negligible in affecting the axial modulus. These insights will also help in designing micromechanics model of materials made from carbon nanotube or nanotube like structures. In particular, we have calculated the mechanical properties (young modulus, bending modulus and twist modulus) of isolated and bundled nanotubes, single and multi-wall nanotubes and single and multi-wall carbon nanotube based tori. We also report studies on thermal variation of moduli and thermal expansion of nanotubes. The result obtained by first principles calculation based interatomic potential agrees well with the experimental results.