Sharif Digital Repository

A finite element technique is used to mimic radial deformation of single-walled carbon nanotubes under hydrostatic pressure. The elastic deformation of nanotubes is modeled via elastic beams. Properties of the beam element are evaluated by considering characteristics of the covalent bonds between the carbon atoms in a hexagonal lattice. Applying the beam model in a three dimensional space, the elastic properties of the nanotube in the transverse direction are evaluated. The effects of diameter and wall thickness on the radial and circumferential elastic moduli of zigzag and armchair nanotubes are considered. Results are in good agreement with molecular structural mechanics data in the... 

Using reverse nonequilibrium molecular dynamics simulations the influence of intermolecular bridges on the thermal conductivity (λ) in carbon nanotube (CNT) bundles has been investigated. The chosen cross linkers (CH 2, O, CO) strengthen the transversal energy transport relative to the one in CNT bundles without bridges. The results showed that λ does not increase linearly with the linker density. The efficiency of the heat transport is determined by the number of linkers in the direction of the heat flux, the type of the linker, and their spatial ordering. The influence of a forced axial stress on the transversal λ has been also studied. The observed λ reduction with increasing axial... 

By utilizing the fourth-, sixth-, eighth-, and tenth-order elastic moduli tensors of graphene a highly nonlinear constitutive model for it is proposed. Subsequently, an accurate analytical formulation, describing the entire tensile behavior of single-walled carbon nanotubes (SWCNTs) from their initial unloaded states through their ideal strengths, is made possible. The angle of twist which is a critical parameter that varies with the tensile loading is also calculated within the current framework. The estimated value of the theoretical strength of SWCNTs with different chiralities and radii as well as that of graphene ranges from 0.39 to 0.44 TPa. Some peculiarities associated with chirality... 

A new method for the analysis of electron transmission property in single-walled carbon nanotubes (SWCNTs) using Green's function is presented in this paper for the first time. Using the proposed method, a new relation for the transmission function through a deformed SWCNT is obtained, which depends on the energy variations and the coupling matrices related to the mechanical deformations applied to the structure of CNT. The obtained new relation is explained by the presented results in the literature  

The stability of single-walled carbon nanopeapods under hydrostatic pressure is investigated using a continuum-based elastic shell model. The model incorporates nonbonded van der Waals interactions between the nested fullerenes and the host carbon nanotube. By deriving an explicit equation, it is shown that the critical hydrostatic pressure for the onset of structural instability of a completely packed C60@(10,10) nanopeapod is ∼1.11 GPa, while for the case of the pristine host (10,10) nanotube it is ∼1.84 GPa. Thus, it is concluded that the fullerene encapsulation weakens the host nanotube under hydrostatic pressure. In addition, it is quantitatively shown that any decrease in packing... 

By employing the nonlocal continuum field theory of Eringen and Von Karman nonlinear strains, this paper presents an analytical model for linear and nonlinear dynamics analysis of single-walled carbon nanotubes (SWNTs) conveying fluid with different boundary conditions. In the linear analysis the natural frequencies and critical flow velocities of SWNTs are computed. However, in the nonlinear analysis the effect of nonlocal parameter on nonlinear dynamics of cantilevered SWNTs conveying fluid is investigated by using bifurcation diagram, phase plane and Poincare map. Numerical results confirm existence of chaos as well as a period-doubling transition to chaos. Copyright © 2018 Techno-Press,... 

Single-walled carbon nanotubes (SWCNTs) emit near-infrared (NIR) fluorescence that is ideal for optical sensing. However, the low quantum yields diminish the sensor's signal-to-noise ratio and limits the penetration depths for in vivo measurements. In this study, we perform a systematic investigation of the plasmonic effects of Ag and Au nanoparticles of various geometries to tune and even enhance the fluorescence intensity of single-stranded DNA-wrapped SWCNTs (ssDNA-SWCNTs). We observe a chirality-dependent NIR fluorescence enhancement that varies with both nanoparticle shape and material, with Au nanorods increasing (7, 5) and (7, 6) chirality emissions by 80% and 60% and Ag nanotriangles... 

Finite element (FE) method is used to model radial deformation of single-walled carbon nanotube (SWCNT) under hydrostatic pressure. Elastic deformation of the nanostructure is simulated via elastic beams. Properties of the beam element are calculated by considering the stiffness of the covalent bonds between the carbon atoms in the hexagonal lattice. By applying the beam elements in a three-dimensional space, elastic properties of the SWCNT in transverse direction are obtained. In this regard, influences of diameter and tube wall thickness on the radial and circumferential elastic moduli of zigzag and armchair SWCNTs are considered. It is observed that there is a good agreement between the... 

High-performance textile-based energy storage systems with high energy and power densities alongside remarkable cyclic life are always at the leading edge of wearable electronics. Herein, commercial cotton fabrics (CCFs) are used as the substrates for the fabrication of ultra-light, high-performance wearable supercapacitors. Hierarchical microstructures of nickel-cobalt sulfide (Ni-Co-S) decorated single-walled carbon nanotubes (SWCNTs) are used as the positive supercapacitor electrodes. Enhanced electrochemical performance with a specific gravimetric capacity of 331 Cg−1 (at a current density of 0.3 Ag−1) is obtained from these Ni-Co-S@SWCNT@CCF electrodes. Besides, composites of graphene... 

The elastica is referred to the shape of the curve into which the centreline of a flexible lamina is bent. Hence, single-walled carbon nanotubes (SWCNTs) are treated as the elastica obtained from bending of graphene. The corresponding large deformation accompanies both the material and geometrical non-linearities. The morphology of the free-standing SWCNTs such as the natural angle of twist, bond lengths, tube radius and wall thickness are determined. Moreover, it is shown that the induced self-equilibriated strain field has a remarkable impact on the mechanical behaviour of the nanotube. Utilization of an appropriate non-linear continuum constitutive relation for graphene leads to exact... 

In this paper, the simulation of biomolecules manipulation using molecular dynamics (MD) is studied. In order to investigate the manipulation behavior, we have used the ubiquitin as biomolecule, a single-walled carbon nanotube (SWCNT) as manipulation probe, a two-layer graphene sheet as substrate. Along this line, a series of simulations are conducted to study the effects of different conditions on the success of manipulation process. These conditions include tip diameter, vertical gap between the tip and substrate, initial orientation of protein, and the tip position with respect to the biomolecule  

A new method for modeling and analysis of deformed carbon nanotubes (CNTs) using Green's function, is presented in this paper, for the first time. Using the proposed method, a new circuit model is obtained for the deformation region of a deformed single-walled CNT (SWCNT), which the values of its elements depend on the type of deformation and also the deformation parameters such as the coupling matrices and the energy variations of deformation region. The comparison between the obtained results from the analysis of proposed model and the literature gives a good match which approves the accuracy and correctness of the proposed model  

The potential application of SWCNTs as mass nanosensors is examined for a wide range of boundary conditions. The SWCNT is modeled via nonlocal Rayleigh, Timoshenko, and higher-order beam theories. The added nano-objects are considered as rigid solids, which are attached to the SWCNT. The mass weight and rotary inertial effects of such nanoparticles are appropriately incorporated into the nonlocal equations of motion of each model. The discrete governing equation pertinent to each model is obtained using an effective meshless technique. The key factor in design of a mass nanosensor is to determine the amount of frequency shift due to the added nanoparticles. Through an inclusive parametric... 

Bode stability analysis based on transmission line modeling (TLM) for single wall carbon nanotube (SWCNT) interconnects used in 3D-VLSI circuits is investigated for the first time. In this analysis, the dependence of the degree of relative stability for SWCNT interconnects on the geometry of each tube has been acquired. It is shown that, increasing the length and diameter of each tube, SWCNT interconnects become more stable  

Carbon nanotubes (CNT) have unique electronic properties and remarkable optical properties. Despite of on layer thickness of CNTs, it has able to absorb photons from visible to far infrared and terahertz. These unique properties lets to create heterojunction devices by semiconductor/CNTs or metal/CNTs junctions e.g. photodiodes, sensor and heterojunction solar cell. The CNTs can play the role of a heterojunction component for charge separation as a high conductive network for charge transport and as a transparent electrode for light illumination and charge collection. The main objective of the present article is to establish a relation between interface recombination and the characteristics... 

Advanced nanomaterials such as carbon nanotubes (CNTs) display unprecedented properties such as strength, electrical conductance, thermal stability, and intriguing optical properties. These properties of CNT allow construction of small microfluidic devices leading to miniaturization of analyses previously conducted on a laboratory bench. With dimensions of only millimeters to a few square centimeters, these devices are called lab-on-a-chip (LOC). A LOC device requires a multidisciplinary contribution from different fields and offers automation, portability, and high-throughput screening along with a significant reduction in reagent consumption. Today, CNT can play a vital role in many parts... 

By considering a single-walled carbon nanotube (SWCNT) as a two-dimensional elastica obtained from the roll-up of a graphene sheet into a circular tube, the present paper develops a precise well-posed continuum theory for describing the entire torsional behavior of SWCNTs from an initial unloaded state through their ultimate levels of loading. In addition, the proposed approach can capture the dual ideal shear strengths as well as the asymmetrical behavior of chiral tubes with respect to the direction of the applied torsional loading. The theory incorporates a highly nonlinear constitutive equation which provides information about the nanoscopic morphological parameters of the tubes. As it... 

Carbon nanotubes (CNTs) are promising candidates for high-resolution mass nanosensors owing to their unique vibrational behavior. The structural characteristic (e.g. defect type and density) and working temperature have a significant effect on the natural frequency of CNT-based sensors. Herein, a stochastic approach based on novel finite element and molecular mechanics simulations is implemented to model the effect of temperature and structural characteristics of single-wall CNTs including defects (vacancy defect with different densities) and chirality (zigzag and armchair) on their vibrational behavior. The results show that the vacancy defects exert a significant deterioration of the... 

In this paper the effect of strain and impurity on the quantum conductance of semiconducting carbon nanotubes (CNTs) have been studied by ab-initio calculations. The effect of strain and impurity on the CNT conducting behavior and physical characteristics, like density of states (DOS), band structure, and atomic local density of state (LDOS), is considered and discussed separately and simultaneously. Our results show that the quantum conductance of semiconductor CNTs is increased by compression strain, elongation strain, and replacing nitrogen and boron doping in its structure. The amount of increasing in the conductance depends on the type of strain and impurity. Conductance of CNT can be...