Sharif Digital Repository

The process of imaging a biomolecule by atomic force microscope (AFM) is modeled using molecular dynamics (MD) simulations. Since the large normal force exerted by the tip on the biosample in contact and tapping modes may damage the sample structure and produce irreversible deformation, the noncontact mode of AFM (NC-AFM) is employed as the operating mode. The biosample is scanned using a carbon nanotube (CNT) as the AFM probe. CNTs because of their small diameter, high aspect ratio and high mechanical resistance attract many attentions for imaging purposes. The tip-sample interaction is simulated by the MD method. The protein, which has been considered as the biomolecule, is ubiquitin and a... 

This paper aims at investigating free vibrations and stability of double-walled carbon nanotube (DWCNT)-based spinning nanobearings. The so-called nanobearing consists of two coaxial carbon nanotubes (CNTs) where either of the two CNTs can be a rotor while the other takes the role of stator. Euler–Bernoulli beam model along with the Eringen’s nonlocal theory of elasticity are employed to obtain governing equations of transverse vibrations for the CNTs. The coupling of the two CNTs originates from the van-der-Waals (vdW) forcing present in the interface of the two CNTs. The coupling is taken into account as distributed spring foundation with an equivalent elastic stiffness. Based on the... 

Triboelectric nanogenerators (TENGs) can harvest mechanical energy through coupling triboelectric effect and electrostatic induction. Typically, TENGs consist of organic materials, however on account of the potentially wide range of applications of TENGs as the self-powered portable/wearable electronics, biomedical devices, and sensors; semiconductor metal oxide materials can be promising candidates to be incorporating in TENG structure. Here, flexible TENG based on self-organized TiO2 nanotube arrays (TNTAs) is fabricated via anodization method. The introduced flexible large area nanotubular electrode is employed as the moving electrode in contact with Kapton film in vertical contact... 

Supercapacitors store charge by ion adsorption or fast redox reactions on the surface of porous materials. One of the bottlenecks in this field is the development of biocompatible and high-rate supercapacitor devices by scalable fabrication processes. Herein, a Ti-rich anatase TiO2 material that addresses the above-mentioned challenges is reported. Tubular nanolettuces were fabricated by a cost-effective and fast anodization process of Ti foil. They attained a large potential window of 2.5 V in a neutral electrolyte owing to the high activation energy for water splitting of the (1 0 1) facet. Aqueous and all-solid-state devices showed diffusion time constants of 46 and 1700 ms, as well as... 

In recent years carbon nanotubes and other carbon nanostructures such as graphene sheets have attracted a lot of attention due to their unique mechanical, thermal and electrical properties. These structures can be used in desalination of sea water, removal of hazardous substances from water tanks, gases separation, and so on. The nanoporous single layer graphene membranes are very efficient for desalinating water due to their very low thickness. In this method, water-flow thorough the membrane and salt rejection strongly depend on the applied pressure and size of nanopores that are created in graphene membrane. In this study, the mechanism of passing water and salt ions through nanoporous... 

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,... 

This article investigates the effect of nanoparticles on mass transfer in the liquid–liquid extraction for the chemical system of n-butanol–succinic acid–water. For this purpose, nanofluids containing various concentrations of ZnO, carbon nanotubes (CNT), and TiO2 nanoparticles in water, as base fluid, were prepared. To examine the flow mode effect on mass transfer rate, different fluid modes including dropping and jetting were employed in the process. Results show that mass transfer rate enhancement depends on the kinds and the concentration of nanoparticles and the modes of flow. It was observed that after adding nanoparticles, the mass transfer rate significantly increases up to two-fold... 

This paper presents the deflection and pull-in instability of the double-walled carbon nanotubes with different dimensions and boundary conditions. Molecular dynamic technique is applied to model the desired behaviors of the nano systems. The effects of cross-linking between the carbon walls are investigated on the pull-in charge. In addition, the influences of axial stretching on the pull-in charge and vibrational frequencies of the carbon nanotubes are scrutinized. The effects of electrostatic charge distribution on the vibration amplitude are also reported  

This article presents a nonlocal sinusoidal shear deformation beam theory (SDBT) for the nonlinear vibration of single-walled boron nitride nanotubes (SWBNNTs). The surrounding elastic medium is simulated based on nonlinear Pasternak foundation. Based on the nonlocal differential constitutive relations of Eringen, the equations of motion of the SWBNNTs are derived using Hamilton's principle. Differential quadrature method (DQM) for the nonlinear frequency is presented, and the obtained results are compared with those predicted by the nonlocal Timoshenko beam theory (TBT). The effects of nonlocal parameter, vibrational modes, length, and elastic medium on the nonlinear frequency of SWBNNTs... 

In this paper, we review recent progress made in the field of epoxy-based binary and ternary nanocomposites containing three-, two-, and one-dimensional (i.e., 3D-, 2D-, and 1D) nano-size fillers with a special focus on their fracture behaviors. Despite investigations conducted so far to evaluate the crack-resistance of epoxy nanocomposites and attempts made to clarify the controlling toughening mechanisms of these materials, some questions remain unsolved. It is shown that silica nanoparticles can be as effective as rubber particles in improving the fracture toughness/energy; but incorporation of carbon nanotubes (CNTs) or clay platelets in epoxy matrices delays crack growth only modestly.... 

Thermoplastic polyurethane nanocomposites incorporating carbon nanotubes and graphene nanoplatelets were prepared through melt blending and compression molding, and the compounding process was optimized taking into account the different physical properties of one-dimensional carbon nanotubes and two-dimensional graphene nanoplatelets. Filler dispersion was further improved in the case of carbon nanotubes by noncovalent surface modification using a specific surfactant. The well-dispersed nanofillers favored enhanced phase separation in the thermoplastic polyurethane, leading to a better microstructure, which is able to improve the load transfer and maximize the tensile and viscoelastic... 

In the present work, mesoporous nitrogen-doped carbon nanotubes (N-CNTs) were synthesized by using a low-cost and unique set of precursors (camphor and urea). The CVD method at 1000 °C was used with different camphor/urea ratios, and Co-Mo/MgO nanocatalyst was utilized as growth catalyst. Application of mesoporous N-CNTs in selective oxidation of H2S was studied experimentally and N-CNTs interactions with H2S was also investigated using DFT calculations. The as-synthesized N-CNTs were characterized using FTIR, FE-SEM, elemental analysis, X-ray diffraction (XRD), XPS and nitrogen adsorption/desorption. The N-CNT2 sample with urea to camphor ratio (U/C) of 1 showed the highest sulfur yield at... 

The purpose of this study is to analyze the nonlinear dynamic responses of functionally graded carbon nanotube-reinforced composite (FG-CNTRC) beams exposed to axial supersonic airflow in thermal environments. The dynamic model of the FG-CNTRC beam is developed with regard to the first-order shear deformation theory incorporating the von Kármán geometrical nonlinearity. The thermomechanical properties of the constituents are assumed to be temperature dependent. The third-order piston theory is adopted to estimate the nonlinear aerodynamic pressure induced by the supersonic airflow. Harmonic differential quadrature method is implemented to discretize the equations of motion in the spatial... 

The aim of this paper is to investigate the thermal conductivity and viscosity of a hybrid nanofluid containing tetramethylammonium hydroxide (TMAH) coated Fe3O4 nanoparticles and gum arabic (GA) coated carbon nanotubes (CNTs), experimentally. The magnetic nanoparticles and CNTs are physically attached as the result of interaction between the TMAH and GA molecules. The morphology and structure of the samples are characterized with X-ray diffraction (XRD) and transmission electron microscopy (TEM). The experiments are carried out in the magnetic nanoparticles volume concentration range of 0.1–0.9 %, CNT volume concentration range of 0.05–1.35 % and the temperature range of 25–55 °C. The... 

The aim of this paper is to investigate the thermal conductivity and viscosity of a hybrid nanofluid containing tetramethylammonium hydroxide (TMAH) coated Fe3O4 nanoparticles and gum arabic (GA) coated carbon nanotubes (CNTs), experimentally. The magnetic nanoparticles and CNTs are physically attached as the result of interaction between the TMAH and GA molecules. The morphology and structure of the samples are characterized with X-ray diffraction (XRD) and transmission electron microscopy (TEM). The experiments are carried out in the magnetic nanoparticles volume concentration range of 0.1–0.9 %, CNT volume concentration range of 0.05–1.35 % and the temperature range of 25–55 °C. The... 

The potentials of carbon nanotubes (CNTs) as mechanical resonators for atomic-scale mass sensing are presented. To this aim, a nonlocal continuum-based model is proposed to study the dynamic behavior of bridged single-walled carbon nanotube-based mass nanosensors. The carbon nanotube (CNT) is considered as an elastic Euler–Bernoulli beam with von Kármán type geometric nonlinearity. Eringen’s nonlocal elastic field theory is utilized to model the interatomic long-range interactions within the structure of the CNT. This developed model accounts for the arbitrary position of the deposited atomic-mass. The natural frequencies and associated mode shapes are determined based on an eigenvalue... 

An efficient method has been developed to synthesize well-aligned multi-walled carbon nanotubes (MWCNTs) on a conductive Ta substrate by chemical vapor deposition. Free-standing MWCNTs arrays were functionalized through electrochemical oxidation with the formation of hydroxyl and carboxyl functional groups. Facile template-free electrochemical routes were then developed for the shape-selective synthesis of less-common Au nanostructures, including flower, sphere, dendrite, rod, sheet, and cabbage onto the aligned MWCNTs at room temperature. Especially, among all the synthesis methods for Au nanocrystals, this is the first report using electrochemical technique to synthesize wide variety... 

In this paper, a mechanism for fabrication of nanostructured hydroxyapatite coating on TiO2 nanotubes is presented. Also, the physical, biological, and nanomechanical properties of the anodized Ti6Al4V alloy consisting TiO2 nanotubes, electrodeposited hydroxyapatite, and the hydroxyapatite/TiO2 nanotubes double layer coating on Ti6Al4V alloy implants are compared. Mean cell viability of the samples being 84.63 % for uncoated plate, 91.53 % for electrodeposited hydroxyapatite, and 94.98 % for hydroxyapatite/TiO2 nanotubes coated sample were in the acceptable range. Merely anodized prototype had the highest biocompatibility of 110 % with respect to the control sample. Bonding strength of... 

In this study, a thermal method was used to synthesize spinel NiCo2O4 and carbon nanotubes (CNTs)@NiCo2O4 with an average size 50 nm and 20 nm, respectively. Addition of CNTs into NiCo2O4 noticeably increases the active surface area compared to pure spinel NiCo2O4. SEM analyses showed that the morphologies are spherical in both pure and composite samples. Uniform CNTs@NiCo2O4 nanoparticles exhibit high specific capacitance of 210 F g−1 at 2 A g−1 and a good retention capacity of 92.70% after 2500 cycles, which shows a considerable improvement compared to NiCo2O4. Additionally, an exceptional rate capability of about 73.2% was obtained at 50 A g−1. Such remarkable electrochemical performance... 

In this work, the adsorption of benzoic acid (BA) over metal organic framework of chromium-benzenedicarboxylates (MIL-101) is reported for the first time. The influences of pH, contact time, initial concentration, and temperature of BA solution on the adsorption behavior were investigated. The Langmuir adsorption isotherm was adequate to represent the experimental data (R2 > 0.99) and the adsorption kinetics was well-represented by a pseudo-second order kinetic model (R2 > 0.96). The zeta potential of MIL-101 decreased with increasing pH confirming the importance of electrostatic interactions between MIL-101 and BA as well as the importance of the large pore volume (1.32 m3/g) and large...