A molecular dynamics study on the thickness and post-critical strength of carbon nanotubes

This paper presents a molecular dynamics (MDs) study on the linear, buckling and post-buckling behaviour of carbon nanotubes (CNTs) under pure shortening and pure twisting. Its objectives are (i) to clarify the issue about the most correct thickness value to adopt in the simulation of CNTs using shell models and (ii) to evaluate their post-critical strength. Three CNTs with similar length-to-diameter ratio but different atomic structures (zig-zag, armchair and chiral) are selected for this study. Then, MD simulations are performed to investigate the pre-critical, critical buckling and post-critical behaviour of CNTs under pure shortening and pure twisting. Using available analytical formulae derived from shell models, the influence of CNT thickness on their critical strain and critical angle of twist is investigated. Some conclusions are drawn regarding (i) the most appropriate choice of the thickness value to use in shell models and (ii) the effectiveness of post-critical stiffness and strength of CNTs.     

Nonlocal and shear effects on column buckling of single-layered membranes from stocky single-walled carbon nanotubes

Axial buckling behavior of single-layered membranes from vertically aligned single-walled carbon nanotubes is studied in the context of the nonlocal continuum theory of Eringen. To this end, useful discrete models based on the nonlocal Rayleigh, Timoshenko, and higher-order beam theories are developed to evaluate critical buckling loads associated with both in-plane and out-of-plane buckling modes. In discrete models, the size of the eigenvalue equations to be solved drastically magnifies for highly populated membranes. Thereby, development of models whose computational efforts do not affected by the population of the membrane is of great advantageous. To bridge this scientific gap, appropriate nonlocal continuous models are established based on the developed discrete models. The accuracy of the proposed discrete and continuous models is checked and remarkable results are achieved. Subsequently, the roles of the influential factors on both in-plane and out-of-plane axial buckling loads are addressed. The obtained results can be regarded as a basic step in examining of axial buckling mechanisms of more complex systems consist of multi-layered membranes from parallel or even orthogonal single-walled carbon nanotubes.     

Buckling of carbon nanotubes: a literature survey

This survey paper comprises 5 sections. In Section 1, the reader is introduced to the world of carbon nanotubes where their structural form and properties are highlighted. Section 2 presents the various buckling behaviors exhibited by carbon nanotubes that are discovered by carbon nanotube researchers. The main factors, such as dimensions, boundary conditions, temperature, strain rate and chirality, influencing the buckling behaviors are discussed in Section 3. Section 4 presents the continuum models, atomistic simulations and experimental techniques in studying the buckling phenomena of carbon nanotubes. A summary as well as recommendations for future research are given in Section 5. Finally a large body of papers, over 200, is given in the reference section. It is hoped that this survey paper will provide the foundation knowledge on carbon nanotube buckling and inspire researchers to advance the modeling, simulation and design of carbon nanotubes for practical applications.     

Vibration damping characteristics of carbon nanotubes-based thin hybrid composite spherical shell structures

The present work deals with the evaluation of elastic properties and dynamic analyses of thin hybrid composite shell structures, which consist of conventional carbon fiber as the reinforcing phase and multiwalled carbon nanotubes-based polymer as the matrix phase. The Mori-Tanaka and strength of material method has been implemented to determine the elastic properties of such hybrid composite structures without and with considering agglomerations. An eight-noded shell element, which considers stress resultant-type Koiter's shell theory and transverse shear effect as per Mindlin's hypothesis having five degrees of freedom at each node, has been utilized for discretizing and analysis of such hybrid shell structures. The Rayleigh damping model has been implemented in order to study the effect of carbon nanotubes (CNTs) on damping capacity of such hybrid composite shell structures. Different types of spherical shell panels have been analyzed in order to study the time and frequency responses. Results show that the elastic properties as well as damping properties of such hybrid composite structures improved with the addition of CNTs as compared to conventional carbon fiber reinforced composites laminates; effects of some important parameters on the vibration characteristic of such hybrid composite shell structures have also been presented. The effects of agglomeration parameters on the elastic properties and their influences on the dynamic responses considering different layers and stacking sequences have also been investigated.     

Two distinct buckling modes in carbon nanotube bending

By using controlled SPM manipulation, carbon nanotubes have been continuously bent into a series of increasing angles, and two distinct buckling modes corresponding to "abrupt" and "gradual" buckle formation were observed through recording the height increment at the bend site during the loading process. Molecular dynamics simulation also found the two buckling modes in different types of carbon nanotubes, and their atomistic mechanism was revealed. Finally, the dependence of the critical buckling condition on diameters of carbon nanotubes was tentatively studied.     

On the buckling properties of concentric carbon/boron-nitride multi-walled nanotubes: A finite element investigation

Finite element modeling approach is used here to investigate the behavior of concentric multi-walled boron-nitride and carbon nanotubes under the compressive loadings. Double-walled and triple-walled concentric boron-nitride and carbon nanotubes with different arrangements and geometries are considered. It is shown that multi-walled boron-nitride nanotubes lose their stabilities at larger compressive forces than other arrangements in which at least one carbon wall exists. Comparing the armchair and zig-zag multi-walled nanotubes, the latter one has larger buckling force than the former one. It is also shown that the nanotubes with smaller radii have larger critical compressive forces than those with larger radii.     

环己烷浮游催化法在碳纤维表面生长碳纳米管

以环己烷为碳源、二茂铁为催化剂前躯,采用浮游催化法成功的在碳纤维表面生长了碳纳米管(CNT),制备了多尺度杂化材料CNTs/CF。实验重点考察了反应温度、二茂铁浓度、载气等参数对CNT在纤维表面生长的影响,通过扫描电镜(SEM)、投射电镜(TEM)研究了CNTs/CF的形貌及产物CNT的微观结构。当固定反应温度为820℃、二茂铁-环己烷浓度为2g/100mL时,随着氢气在载气中含量在0～100%范围内变化,产物CNT直径亦有86nm降低至39nm。通过单丝拉伸测试发现,相比初始碳纤维,不同长度的CNTs/CF单纤维强度下降幅度均在10%以内。     

Effect of omitting terms involving tube radii difference in shell models on buckling solutions of DWNTs

Continuum cylindrical shell models have been widely applied in the buckling analysis of carbon nanotubes. An explicit expression for the critical buckling strain of double-walled carbon nanotubes (DWNTs) may be obtained based on cylindrical shell models. The expression is usually simplified by neglecting the terms involving outer and inner tube radii difference. In this brief note, we present the critical buckling strains of DWNTs with the inclusion of these terms and investigate the quantitative effect of neglecting these terms on the critical strain. It was found that the omission of the terms related to outer and inner tube radii difference leads to an overprediction of the critical buckling strain as well as a possible change in the buckling mode shape. It is also observed that the effect of the terms is especially significant for DWNTs with small inner radius but is negligible when the inner radius is relatively large.     

分散剂CTAB对碳纳米管悬浮液分散性能的影响

以十六烷基三甲基溴化铵(CTAB)为分散剂, 制备了分散性能良好的碳纳米管悬浮液. 通过测定等温吸附曲线和悬浮液的Zeta电位, 研究了CTAB对碳纳米管表面性质的影响. 结果表明, CTAB的加入使Zeta电位由-29mV变为65mV左右; 等温吸附曲线表明,CTAB在碳纳米管表面为“两阶段吸附”, CTAB浓度为9×10^-4 mol·L^-1时, 在碳纳米管表面达到饱和吸附. 通过悬浮碳纳米管浓度测定确定了所需最佳CTAB的用量为9×10^-4 mol·L^-1左右, 同时对CTAB的吸附分散机理进行了分析和讨论.     

Surface stress and agglomeration effects on nonlocal biaxial buckling polymeric nanocomposite plate reinforced by CNT using various approaches

In this article, the surface stress effect on the biaxial critical buckling load of nonlocal polymeric nanocomposite rectangular plate reinforced by carbon nanotubes (CNTs) is presented. Various approaches such as Eshelby–Mori–Tanaka, the extended mixture rule, Halpin–Tsai, and micromechanical are used to determine the effective material properties of polymeric nanocomposite plate. The governing equations of equilibrium are obtained by using Hamilton’s principle. The Navier’s method is considered to obtain the biaxial critical buckling load of polymeric nanocomposite rectangular plate for simply supported boundary conditions. A detailed parametric study is conducted to explain the effects of aspect ratio, elastic foundation, surface stress and agglomeration on the biaxial buckling of nanocomposite plate. The results show that surface stress effect plays an important role at nanoscale. Also, the biaxial critical buckling load decreases with increasing the CNTs volume fraction in the inclusion (agglomeration effect). The results of this research can be used for micro-electro-mechanical and nano-electro-mechanical devices.     

以预锂化多壁碳纳米管为负极的锂离子电容器性能

采用内部短路方式对多壁碳纳米管负极进行不同程度的预嵌锂处理,预嵌锂时间为5,30,60min,以预嵌锂多壁碳纳米管极片作为负极,活性炭极片作为正极,组装成锂离子电容器。利用扫描电子显微镜(SEM)、透射电子显微镜(TEM)对多壁碳纳米管及电极极片进行表征分析,采用恒流充放电(GCD)和交流阻抗谱(EIS)研究预嵌锂多壁碳纳米管负极和未预嵌锂处理多壁碳纳米管负极锂离子电容器的性能。电化学测试结果表明,多壁碳纳米管负极预嵌锂大幅提高了电容器充放电性能,对比未嵌锂多壁碳纳米管电容器,在相同的电流密度下(100mA/g),能量密度提高400%。预嵌锂60min,电流密度100mA/g时,其比容量达到57F/g。在电流密度为100～3200mA/g范围内,其最高能量密度与功率密度分别达到90Wh/kg,4130W/kg。1000次充放电循环后,容量保持率维持在85%以上,表现出良好的超级电容器性能。     

Synthesis of clay–carbon nanotube hybrids: Growth of carbon nanotubes in different types of iron modified montmorillonite

In the present study, montmorillonite–carbon nanotube hybrids were synthesized by catalytic decomposition of ethylene over iron montmorillonite surfaces modified by different experimental procedures. SEM and STEM analyses reveal the presence of carbon nanotubes attached to the clay layers and X-ray diffraction results indicate that sodium montmorillonite layers were intercalated with iron species during the ion-exchange processes and further delaminated due to the growth of carbon nanotubes. It is expected that montmorillonite–carbon nanotube hybrids will be beneficiary for improvement of mechanical properties in polymer nanocomposites due to their pre-exfoliated internal structure and the presence of surface carbon nanotubes which may significantly enhance reinforcing effect.     

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。     

Interfacial analysis between Mg matrix and carbon nanotubes in Mg-6 wt.% Al alloy matrix composites reinforced with carbon nanotubes

Magnesium containing 6 wt.% aluminum alloy composites reinforced with carbon nanotubes were fabricated with powder metallurgy based wet-processing. Yield stress and tensile strength were successfully improved by the addition of carbon nanotubes. Field emission-transmission electron microscopy microstructural analysis clarified that needle-like ternary carbides of Al₂MgC₂ were synthesized at some interfaces between magnesium matrix and carbon nanotubes, and the other interfaces were clean without any other materials or defects. Tensile loading transfer from magnesium matrix to carbon nanotubes was effectively strengthened by both the production of Al₂MgC₂ compounds and the clean interface between magnesium matrix and carbon nanotubes.     

碳纳米管增强金属基复合材料的研究进展

碳纳米管增强金属基复合材料由于高的比强度、比模量以及优异的热、电性能在航空航天领域具有很好的应用潜力,本文在分析大量文献的基础上,评述该类材料的制备技术和界面研究进展,对其典型性能进行归纳,指出碳纳米管的分散技术以及碳管、基体之间的界面特性应该是今后本领域的重点研究方向。     

Molecular Dynamics Study of Radial Corrugation in Carbon Nanotubes

Molecular dynamics simulations of multiwalled carbon nanotubes under hydrostatic pressure are performed to elucidate the novel class of radial buckling in the systems. It is revealed by all-atom simulations that the initial circular cross section transforms into a flower-like wavy configuration at critical pressure on the order of hundreds mega pascals or less. This kind of radial buckling, called radial corrugation, originates from the competition of the three relevant energies in the system: in-plane strain energy, van der Waals interaction energy between adjacent tubes, and out-of-plane bending energy. Their possible consequences for physical properties of carbon nanotubes are also discussed.     

粘结剂对块状极板碳纳米管双电层电容器性能影响研究

碳纳米管具有良好的导电性和合适的双电层形成区,适于制作双电层电容器极板． 不同粘结剂的使用会影响电容器的性能,分别选用酚醛树脂和聚四氟乙烯（ＰＴＦＥ）作为碳纳米 管极板的粘结剂,在有机电解质溶液中,研究其电容性能与比表面积和极板结构的关系,从而 找出合适的碳纳米管极板粘结剂．     

定向碳纳米管的化学气相沉积制备法

报道了一种简便有效的合成定向碳纳米管 (CNTs)的化学气相沉积 (CVD)制备方法。以铁为催化剂 ,乙炔为碳源 ,采用单一反应炉 ,直接在石英基底上沉积催化剂颗粒薄膜 ,成功合成了定向性好、管径均匀的高质量大密度的碳纳米管     

碳纳米管的化学镀银

碳纳米管因其优异的力学、物理性能，是一种理想的复合材料增强体。通过化学镀可在碳纳米管表面镀上一层连续的银镀层，以增强碳纳米管与金属基体的界面结合力．本文研究了在碳纳来管上化学沉积银的工艺及其影响因素．SEM、TEM观察表明：氧化、活化及镀是影响镀层质量的最重要因素．尽可能多的活化点以及尽可能慢的镀速将大大改善镀层质量。