Sharif Digital Repository

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... 

In this paper the free vibration of single walled carbon nanopeapods encapsulating C60 molecules is considered. The nanopeapod is embedded in an elastic medium and clamped at both ends. The Euler-Bernoulli beam model is used for the carbon nanotube and the C60 molecules are considered as lumped masses attached to the beam. Based on the nonlocal elasticity theory the governing equation of motion is derived and the resonance frequencies of the nanopeapod are obtained. The effects of small scale, foundation stiffness and ratio of the fullerenes' mass to the nanotube's mass on the frequencies are studied and some conclusions are drawn  

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... 

This paper is concerned with the stability analysis of bridged single walled carbon nanotubes (SWCNT) under temperature changes. A molecular structural mechanics model is utilized to investigate the free vibration frequencies and thermal buckling of SWCNT. In comparison with most of the previous studies, a temperature-variable thermal-expansion-coefficient is used that is negative under a certain temperature. Also thermal variation of Young's modulus of the CNTs is considered. Several studies are performed to investigate the critical temperature change due to heating and cooling of SWCNTs with different chiralities and slenderness ratios and the stability boundaries are determined  

Theoretical study of NH3(H2O) n=0,1,2,3 adsorption on (8, 0) carbon nanotube was performed at the X3LYP/6-31G* level of density functional theory (DFT). The tube-NH3 interaction was discussed in the terms of binding energy (EB), coupling energy (EC), charge density, molecular orbitals, and dipole moments. The results reveal that addition of water molecules to tube-NH3 system increases the interaction between tube and ammonia molecule  

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... 

In the present study, free vibrations of single walled carbon nanotubes (SWCNT) on an elastic foundation is investigated by nonlocal theory of elasticity with both beam and shell models. The nonlocal boundary conditions are derived explicitly and effectiveness of nonlocal parameter appearing in nonlocal boundary conditions is studied. Also it is demonstrated that the beam model is comparatively incapable of capturing size effects while shell model captures size effects more precisely. Moreover, the effects of some parameters such as mechanical properties, foundation stiffness, length and radius ratios on the natural frequencies are studied and some conclusions are drawn  

Semiconducting single-walled carbon nanotubes (SWCNTs) are among the few photostable optical emitters that are ideal for sensing, imaging, drug delivery, and monitoring of protein activity. These applications often require strategies for immobilizing proteins onto the nanotube while preserving the optical properties of the SWCNTs. Site-specific and oriented immobilization strategies, in particular, offer advantages for improving sensor and optical signaling responses. In this study, we demonstrate site-specific protein immobilization of a model of enhanced yellow fluorescent protein with a single engineered cysteine residue, using either single-stranded DNA or a pyrene-containing linker to... 

The effects of Pd addition to Fe (Pd/Fe = 0, 2.5/7.5, 5/5, 7.5/2.5 and 1) and growth temperatures (920 and 970 °C) on density, diameter and growth mode of carbon nanotubes (CNTs) have been studied. SEM observations and TG analyses confirmed that the CNT yields depend on Pd/Fe ratios as (7.5/2.5) > (5/5) > Pd > (2.5/7.5) > Fe at both growth temperatures. TEM data showed that addition of Pd results in tip growth mode. From Raman spectroscopy data, the order of samples' structural quality (I G /I D ratio) are Fe > Pd/Fe (2.5/7.5) > (5/5) > (7.5/2.5) > Pd and the I G /I D ratios increase by decreasing the growth temperature. Films with higher concentration of Fe (Pd/Fe = 0, 2.5/7.5) contain some... 

Various experimental and theoretical investigations have been carried out to determine the elastic properties of nanotubes in the axial direction. Their behavior in transverse directions, however, has not been well studied. In this paper, a combination of molecular dynamics (MD) and continuum-based elasticity model is used to predict the transverse-isotropic elastic properties of single-walled carbon nanotubes (SWCNTs). From this modeling study, five independent elastic constants of an SWCNT in transverse directions are obtained by analyzing its deformations under four different loading conditions, namely, axial tension, torsion, uniform and non-uniform radial pressure. To find the elastic... 

Single-walled carbon nanotubes (SWCNTs) can be promising delivery nanodevices for a diverse range of applications, however, little is known about their dynamical interactions with moving nanoscale particles. In this paper, dynamic response of a SWCNT subjected to a moving nanoparticle is examined in the framework of the nonlocal continuum theory of Eringen. The inertial effects of the moving nanoparticle and the existing friction between the nanoparticle surface and the inner surface of the SWCNT are incorporated in the formulation of the problem. The equivalent continuum structure associated with the SWCNT is considered and modeled using nonlocal Rayleigh beam theory under simply supported... 

The instability of large diameter single-walled carbon nanotubes (SWCNTs) conveying fluid is investigated based on the molecular mechanics. Using the modal expansion for structural displacements, the governing equations of coupled fluid-structural dynamics of SWCNTs are derived. The natural frequencies and mode shape of the SWCNTs are obtained based on the molecular structural mechanics to account for the effect of chirality and discrete nature of SWCNTs. The results show that the vibrational behavior of large diameter SWCNTs conveying fluid is size dependent, but the effect of chirality is negligible. The obtained results are compared with the equivalent continuum-based model in the... 

Carbon nanotubes (CNTs) have been recently taken into consideration as mechanical resonators of distinguished capabilities. This study aims at investigating the free vibration characteristics of a single-walled CNT in the vicinity of a fully constrained graphene sheet. Using a molecular structural mechanics model and considering nonlinear van-der-Waals interactions, the static deformation of the nanotube is obtained using an iterative procedure. Then, the governing equations of motion are linearized about the static equilibrium state and the natural frequencies are obtained. The molecular structural mechanics model is verified using established results in literature and then a survey is... 

Elmore delay has been widely used as an analytical estimate of the interconnect delays in the performance-driven synthesis and layout of VLSI routing topologies. In this paper, Closed-form solutions for the 50% delay, rise time and overshoots of the step response of distributed Single Wall Carbon Nanotube (SWCNT), which consists RC and RLC parts, are presented for the first time. The proposed approach retains both efficiency and simplicity of the equivalent Elmore model with significantly improved accuracy, through surface fitting (3D) instead of curve fitting (2D)  

Carbon nanotubes (CNTs) are viewed as rolled graphene. Thus, an appropriate formulation describing the behavior of CNTs must contain the key information about both their initial configuration as graphene and final configuration as CNT.On this note, to date, somemodels, in particular based on the Cauchy- Born rule, for the description of CNTs behavior exist. A simplifying assumption in some of these models is that the length and perimeter of the CNT equal the corresponding dimensions of the unrolled initial configuration, thus neglecting the induced hoop and longitudinal strains. On the other hand, the present work offers a purely nonlinear continuum model suitable for the description of the... 

Single-walled carbon nanotubes (SWCNTs) and multiwalled carbon nanotubes (MWCNTs) were synthesized in aqueous solutions containing FeCl2, FeCl3, FeSO4 and Fe2(SO4) 3. The effects of iron charge and the counter ions on the formation of carbon nanotubes (CNTs) were investigated. Thermogravimetric (TG) analysis indicated that carbon multilayer structures including CNTs and multishell graphite particles were formed in deionized (DI) water without the iron precursor. SWCNTs were also synthesized in the presence of the iron ions. It was also found that the mole ratio of [Fe2+]/[Fe3+] in the solution has a significant influence on the purity of CNTs and the process yield. The highest yield was... 

Carbon nanotubes (CNTs) are excellent candidates for torsional elements used in nanoelectro-mechanical systems (NEMS). Simulations show that after being twisted to a certain angle, they buckle and lose their mechanical strength. In this paper, classical molecular dynamics simulations are performed on single-walled carbon nanotubes (CNTs) to investigate the effects of torsion speed and temperature on CNT torsional properties. The AIREBO potential is employed to describe the bonded interactions between carbon atoms. The MD simulations clearly show that the buckling of CNTs in torsion is a reversible process, in which by unloading the buckled CNT in opposite direction, it returns to its... 

In this paper, n-tier methodology is developed to design multilevel interconnect architecture of macrocells using single-wall carbon nanotube (SWCNT) bundles. Upper limit of low-bias voltage of SWCNT bundle interconnects is derived and its dependence on temperature, SWCNTs' diameter, and interconnect length is studied. Possibility of using SWCNT bundles as local interconnects at 7.5-nm technology node is discussed, and it is shown that SWCNT bundles with 1 nm diameter cannot be used at the first interconnect metal level. Using Cu and SWCNT bundles, multilevel interconnect architecture of a 7.5-nm ASIC macrocell is designed which reduces the number of metal levels by 27% and power dissipation... 

The present research deals with bifurcation and vibration responses of a composite truncated conical shell with embedded single-walled carbon nanotubes (SWCNTs) subjected to an external pressure and axial compression simultaneously. The distribution of reinforcements through the thickness of the shell is assumed to be either uniform or functionally graded. The equations of motion are established using Green-Lagrange type nonlinear kinematics within the framework of Novozhilov nonlinear shell theory. Linear membrane prebuckling analysis is conducted to extract the prebuckling deformations. The stability equations are derived by applying the adjacent equilibrium criterion to the prebuckling...