Sharif Digital Repository

Simulation models often include a large number of input factors, many of them may be unimportant to the output; justifying the use of factor screening experiments to eliminate unimportant input factors from consideration in later stages of analysis. With a large number of factors, the challenge is designing experiments so that total number of runs and consequently the required time and cost decrease while achieving a satisfactory detection rate. This article employs frequency domain method (FDM) which is applicable in discrete-event simulation models to propose a new statistic defined as the ratio of estimated signal spectrum to maximum estimated noise spectrum. The proposed method not only... 

Identifying and measuring the impact and value of scientific output plays an important role in today's world of information overload. On one side, governments are trying to distribute research funds in ways that support research in strategically important fields, on the other side, researchers and scientists are seeking to access only relevant and quality information that have mainly worthy of their attention. Nowadays, countries are evaluated not only by their national products, military power, geographical area, etc., but also by such factors as the production and consumption of scientific information. Scientometric approaches are used to provide appropriate tools for evaluating scientific... 

Considerable researches have been focused on zinc-iron (Zn-Fe) alloy coatings due to their superior characteristics among zinc alloy electrodeposits in recent years. The corrosion behavior of these coatings depends on the phase structure and morphology of the Zn-Fe deposits. In this work the effects of pulse plating variables such as current density, off-time, frequency and pulse modes on the morphology and phase structure of Zn-Fe deposits was studied by scanning electron microscopy (SEM), X-ray diffraction (XRD) and energy dispersive spectrometry (EDS) analysis. The corrosion behavior of these coatings was measured by means of polarization curves and Neutral salt spray tests. It was shown... 

In this paper, the axial stability of single-walled carbon nanopeapods is studied based on an elastic continuum shell model. In order to model the non-bonded van der Waals interactions between host carbon nanotube and guest fullerenes, an equivalent pressure distribution is proposed and incorporated in the model. Deriving an explicit equation for the determination of critical axial load, it is concluded that the axial stability of a single-walled carbon nanopeapod is less than that of a carbon nanotube under otherwise identical conditions. In addition, it is shown that applying external pressure to the carbon nanopeapod decreases the axial compressive stability through reducing the critical... 

Torsional buckling of carbon nanopeapods (carbon nanotubes filled with fullerenes) is studied using a continuum-based multi-layered shell model. The model takes into account non-bonded van der Waals interactions between nested fullerenes and the innermost layer of host nanotube. For nanopeapods with linearly arranged nested fullerenes, equivalent pressure distribution is proposed to model these interactions. Deriving explicit equations governing the torsional stability, it is concluded that the critical torsional load of a carbon nanopeapod is less than that of a carbon nanotube under otherwise identical geometric and mechanical conditions. Performing numerical calculations, it is also shown... 

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... 

Correlations between electrical and thermal conduction in polymer composites are blurred due to the complex contribution of charge and heat carriers at the nanoscale junctions of filler particles. Conflicting reports on the lack or existence of thermal percolation in polymer composites have made it the subject of great controversy for decades. Here, we develop a generalized percolation framework that describes both electrical and thermal conductivity within a remarkably wide range of filler-to-matrix conductivity ratios (Y f / Y m), covering 20 orders of magnitude. Our unified theory provides a genuine classification of electrical conductivity with typical Y f / Y m ≥ 10 10 as... 

Understanding the nature of interaction between metal nanoparticles and biomolecules such as amino acids is important in the development and design of biosensors. In this paper, binding of M3 clusters (M = Au, Ag and Cu) with neutral and anionic forms of histidine amino acid was studied using density functional theory (DFT-B3LYP). It was found that the interaction of histidine with M3 clusters is governed by two major bonding factors: (a) the anchoring N-M and O-M bonds and (b) the nonconventional N-H⋯M and O-H⋯M hydrogen bonds. The nature of these chemical bonds has been investigated based on quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analyses. In the next... 

The relative stabilities and noncovalent interactions of the six low-lying energy tautomers of cytosine nucleobase with some biological anions (such as F-, Cl-, and CN-) have been investigated in gas phase by density functional theory (DFT) method in conjunction with 6-311++G (d,p) atomic basis set. Furthermore, to systematically investigate all possible tautomerisms from cytosine induced by proton transfer, we describe a study of structural tautomer interconversion in the gas phase and in a continuum solvent using DFT calculation. We carried out geometrical optimizations with the integral equation formalism of polarizable continuum (IEF-PCM) model to account for the solvent effect, and the... 

In this study, the inclusion of multi-walled carbon nanotubes as the second phase in the hydroxyapatite matrix, in order to improve the mechanical strength, has been performed via the sol-gel process. The stability of carbon nanotube sol with the changes of pH and dispersant values (sodium dodecyl sulfate) was evaluated by zeta potential analysis. The results indicated that synthesis of hydroxyapatite particles in the presence of the carbon nanotubes had the best result in homogenization of the carbon nanotube dispersion and faster crystallization of hydroxyapatite. The crystallization of hydroxyapatite phase was investigated with differential scanning calorimetry (DSC) and X-ray diffraction... 

In this study, UV‐Vis-NIR photodetectors based on decorated ZnO nanofibers (NFs) with optimized coverage of Au nanoparticles (NPs) fabricated via combined simple electrospinning and sputtering techniques are introduced. The effect of different coverages of Au NPs resulted from different Au nominal layer thicknesses on the morphology and optical properties of the ZnO fibers are investigated through various characterization methods. It is discovered that 4 nm Au nominal thickness provides the highest UV on/off ratio (~460), responsivity (~332 A/W), detectivity (~2.93×10 11 Jones) as well as faster rise and decay times as compared to pure ZnO nanofibers. A broad spectral response from UV to NIR... 

Kinetics of oxidation of MgO-C refractories was investigated by shrinking core modeling of the gas-solid reactions taking place during heating the porous materials to the high temperatures. Samples containing 4.5-17 wt pct graphite were isothermally oxidized at 1000-1350°C. Weight loss data was compared with predictions of the model. A mixed 2-stage mechanism comprised of pore diffusion plus boundary layer gas transfer was shown to generally control the oxidation rate. Pore diffusion was however more effective, especially at graphite contents lower than 10 wt pct under forced convection blowing of the air. Model calculations showed that effective gas diffusion coefficients were in the range... 

Multi-walled carbon nanotubes (MWCNTs) with diameter of about 50 nm were synthesized using thermal chemical vapor deposition. We have investigated the influence of Mg doping to the MWCNTs on its hydrogen storage property. TEM micrographs showed that Mg was attached to the MWCNTs and discontinuous arrangement of the carbon walls was recognized in the MWCNTs. According to XPS and BET analyses, the surface functional groups and pore size of the Mg-MWCNTs are increased by interactions between the Mg and the MWCNT's outer walls. The electrochemical discharging curves of the MWCNTs and Mg-doped MWCNTs revealed that the hydrogen storage capacity was 363 and 450 mAhg -1, respectively. Volumetric... 

Using multi-walled carbon nanotubes (MWCNTs), the present study focuses on their electrochemical hydrogen storage capacities. The results showed that the hydrogen desorption process is composed of two steps with voltages around -0.75 and -0.15 V. Hydrogen adsorption at -0.15 V took place at temperatures above 30 °C, and the amount of energy required for adsorbing hydrogen was 1.68 eV. The hydrogen storage capacity increased with increasing electrolyte temperature from 30 to 60 °C in both steps. The hydrogen storage capacity of the MWCNTs treated at different atmospheres showed that the decrease in the graphitization of MWCNTs led to the increase in hydrogen adsorption. The results also... 

The effects of HCl, HNO3, H2SO4 and HF acids on the purification and the electrochemical hydrogen storage of multi-walled carbon nanotubes (MWCNTs) were studied. The MWCNTs were synthesized on Fe-Ni catalyst by thermal chemical vapor deposition method. The X-ray diffraction and thermal gravimetric analysis results indicated that the MWCNTs purified by HF acid had the highest impurities as compared with the other acids. The N2 adsorption results at 77 K indicated that all the samples were mainly mesoporous and the purified MWCNTs by HF acid had the highest surface area as compared with the other acids. The hydrogen storage capacities of the purified MWCNTs by the following acids were in... 

Understanding the nature of the interaction between metal nanoparticles and biomolecules has been important in the development and design of sensors. In this paper, structural, electronic, and bonding properties of the neutral and anionic forms of glutathione tripeptide (GSH) complexes with a Au 3 cluster were studied using the DFT-B3LYP with 6-31+G**-LANL2DZ mixed basis set. Binding of glutathione with the gold cluster is governed by two different kinds of interactions: Auâ€"X (X = N, O, and S) anchoring bond and Au··•·•H-X nonconventional hydrogen bonding. The influence of the intramolecular hydrogen bonding of glutathione on the interaction of this peptide with the gold cluster has been... 

We report a study on hydrogen storage in Ca, Co, Fe, Ni, and Pd decorated multiwalled carbon nanotubes (MWCNTs) by using two techniques: volumetric and electrochemical. The results showed that hydrogen molecules are adsorbed on the defect sites and transported to the spaces between adjacent carbon via diffusion through both defect sites and opened tips into the layers. Hydrogen storage capacity can be improved in the decorated MWCNT by Co, Fe, Ni, and Ca metals in two approaches: (i) H2 adsorption via Kubas interaction and (ii) dissociation of H2 molecules on the metal particles. The results reveal that Pd are more effective catalyst for hydrogen storage process. It was found that... 

Synthetic quantum Hall bilayer (SQHB), realized by optically driven monolayer graphene in the quantum Hall regime, provides a flexible platform for engineering quantum Hall phases as discussed in Ghazaryan et al. [Phys. Rev. Lett. 119, 247403 (2017)PRLTAO0031-900710.1103/PhysRevLett.119.247403]. The coherent driving which couples two Landau levels mimics an effective tunneling between synthetic layers. The tunneling strength, the effective Zeeman coupling, and two-body interaction matrix elements are tunable by varying the driving frequency and the driving strength. Using infinite density matrix renormalization group techniques combined with exact diagonalization, we show that the system... 

In this research, the effect of Ni, Pd and Ni-Pd catalysts have studied on morphology and structure of synthesized multi-wall carbon nanotubes (MWCNTs). Initially, thin films of Ni (with two thicknesses of 10 and 20 nm), Pd/Ni (5/10 nm) and Pd (10 nm) were deposited as catalysts on SiO 2 (60 nm)/Si(1 0 0) substrates, using dc magnetron sputtering technique. The deposited films were annealed at 900 °C in ammonia environment for 45 min, in order to obtain nano-structured catalyst on the surface. Using scanning electron microscopy (SEM), the average size of Ni nano-islands (synthesized by the 10 and 20 nm Ni films), Pd and Ni-Pd nano-islands were measured about 55, 110, 45 and 50 nm,... 

(ZnO)1-x(CdO)x nanofibers were fabricated via electrospinning of polymer precursor by subsequent annealing in air. Field emission scanning electron microscopy (FESEM) showed the smooth and beadless nanofibers and X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) showed the ZnO hexagonal and the CdO cubic structure. Diffuse reflectance spectroscopy (DRS) showed the band gap energy reduction by increasing the amount of CdO in (ZnO)1-x(CdO)x nanofibers that resulted in the photocatalytic activity under the visible light for dye degradation. Under the UV light CdO acted as both electron and hole sink in the (ZnO) 1-x(CdO)x nanofibers and a possible photocatalytic activity...