Sharif Digital Repository

Aluminum 6xxx and 7xxx series are among the most commonly used alloys in industrial applications whereas their joining and welding using conventional fusion-based weld processes are very difficult. In this paper, friction stir welding process of dissimilar AA6061-T6 and AA-7277-T6 aluminum plates was investigated. The effects of tool travers and rotational speeds and the type of material located in the advanced side (AS) or retreating side (RS) of weldment were studied experimentally on the mechanical and metallurgical characteristics of the joint. Macro- and microstructure pictures of weld region were used to evaluate the quality of the weld and defect detections. Tensile strength tests and... 

This paper investigates the effects of the first non-singular stress terms on the fracture assessment of sharp V-notches under mixed mode loading. First, numerical studies have been performed on a fracture test configuration called single V-notched ring (SVR) specimen. Then, the notch stress intensity factors as well as the coefficients of the first non-singular stress terms, which are vital parameters in brittle fracture of V-notched components, were calculated via a finite element over-deterministic algorithm for a wide range of loading and geometry conditions. The obtained results demonstrate that the SVR specimen is able to provide a complete range of mode mixities from pure mode I to... 

Using the Yang-Shih low Reynolds k-ε turbulence model, the mean flow field of a turbulent offset jet issuing from a long circular pipe was numerically investigated. The experimental results were used to verify the numerical results such as decay rate of streamwise velocity, locus of maximum streamwise velocity, jet half width in the wall normal and lateral directions, and jet velocity profiles. The present study focused attention on the influence of nozzle geometry on the evolution of a 3D incompressible turbulent offset jet. Circular, square-shaped, and rectangular nozzles were considered here. A comparison between the mean flow characteristics of offset jets issuing from circular and... 

A combined experimental and computational study was carried out on the gas phase pyrolysis reaction of diallylsulfoxide. Allylalcohol and Thioacrolein were detected as the major products during a unimolecular reaction. Experimental kinetic studies were carried out via a static system over the pressure of 21-55 torr and temperature of 435.2-475.1 K. Based on the experiments, the reaction is homogeneous and proceeds through a zwitterionic intermediate. Computational studies at the DFT (B3LYP) and QCISD(T) levels with 6-311++G(d,p) basis set indicated a two-step concerted pathway as the possible route. Comparison between the experimental and theoretical activation parameters for the most... 

Various ionic liquids (ILs) and their mixtures were coated on the Pt/Al2O3 catalyst and the resulting IL-coated catalysts were used in the synchronous hydrogenation of cyclohexene and acetone. The rate constant (k) and selectivity (S) toward CO hydrogenation were determined for several catalysts in various solvents. The solvatochromic parameters (ETN, normalized polarity parameter; π*, dipolarity-polarizability; β, hydrogen-bond acceptor basicity; α, hydrogen-bond donor acidity) were determined for the used ILs and solvents and the obtained selectivities were modeled based on the solvatochromic parameters of the IL layer and bulk solvent while using the Multiparameter Linear Regression (MLR)... 

Multi-component photocatalysts based on apatite-coated Ag/AgBr/TiO(2) were prepared by the deposition method. The effects of various kinds of apatites, with hydroxyl and fluoro substituents, on photocatalytic activity were investigated. The antibacterial processes in the dark, and under visible light, on two types of bacteria indicate that the multi-composites can inhibit the growth of bacteria by two different mechanisms. TEM images and optical microscopic data demonstrate that by attaching the nanosize catalyst to the outer membrane of the cell, the bacteria could not derive nourishment from surrounding media, i.e. this component acts as bacteria-static. The mechanism for deactivation of... 

Solute-solvent and solvent-solvent interactions were investigated for binary mixtures of an ionic liquid (IL) 2-hydroxy ethylammonium formate as with methanol, ethylene glycol and glycerol. The physicochemical properties of the solvent mixtures at 25 °C, over the whole range of mole fractions, were determined using solvatochromic probes. High normal polarity ( ENT ) in the alcohol-rich region confirms solute-solvent interactions in this medium. Dipolarity/polarizability (π ∗) show a different trend to ENT with a positive deviation from ideal behavior in IL-glycerol mixtures. However, these deviations for other solvent mixtures are insignificant. Contrary to what is observed for ENT and π ∗,... 

A joint theoretical and experimental study of the kinetic and mechanism of the rearrangement of allyl p-tolyl ether was performed in order to study the kinetic and mechanism of the reaction. Experimental studies were performed in gas phase over a temperature range of 493.15–533.15 K. The experimental Arrhenius parameters of this reaction were measured to be Ea = 36.08 kcal mol−1, ΔS# = −7.88 cal mol−1 K−1, and Log A = 11.74, experimentally. Using GC for the mixture of the reaction with and without cyclohexene demonstrated that the reaction is clean without any radical intermediates. The experimental results show that the studied reaction is unimolecular and proceeds through a concerted... 

As massively multiuser virtual environments (MMVEs) expand in terms of size and user population, they tend toward using P2P architectures as a way to provide scalability without the need for large centralized resources. Distributed hash table (DHT)-based networks have been introduced as a promising option for overlay-based distributed massively multiuser virtual environment applications. However, overlay latency stretch seriously affects MMVE performance where QoS is crucial for real-time user collaboration. This work includes a series of efforts in the alleviation of such undesired latency. Our approach to latency mitigation consists of two phases. First, we propose a position-based ID... 

Zeolite-based Ag/AgBr and Ag/AgBr/TiO2 photocatalysts were prepared by sol–gel and deposition methods and were characterized. Their photocatalytic activities were evaluated by inactivation of Escherichia (E.) coli and the photodegradation of Acid Blue 92 and potassium permanganate. The composites containing Ag/AgBr showed the antibacterial activity in the dark by releasing Ag+ ions into the medium. The results for inactivation of E. coli indicated that Ag/AgBr/TiO2 modified photocatalyst had better antibacterial activity than Ag/AgBr/zeolite, while zeolite and TiO2/zeolite did not show any antibacterial activity under visible light and dark conditions. Photodecolarization rate was affected... 

Structural and intermolecular interactions of solvatochromic probes 4-nitroaniline, 4-nitroanisole, and Reichardt’s dye were investigated in the binary mixtures of 2-hydroxy ethylammonium formate as an ionic liquid with N,N-dimethyl formamide, dimethyl amine, and dimethyl sulfoxide. Solvatochromic parameters (ETN, normalized polarity parameter; π*, dipolarity/polarizability; β, hydrogen-bond acceptor basicity; α, hydrogen -bond donor acidity) were determined in ionic liquid mixtures at 25 °C using UV−vis spectroscopy. ETN parameters obtained from absorbance of Reichardt’s dye within various mixtures of ionic liquid were observed to be higher than predicted values from ideal additive... 

In this paper we study slotted ALOHA random access optical code division multiple access packet-switching networks with a chip-level receiver structure. We use generalized optical orthogonal codes (GOOCs) and the overlapping pulse position modulation (OPPM) signaling technique to improve system performance. The impact of physical layer parameters such as the GOOC cross-correlation value and the OPPM overlapping index on key performance benchmarks such as network throughput and delay are analyzed. We also study the stability of the network based on the number of backlogged users, using the expected state drift. It has been shown that using GOOC instead of strict optical orthogonal codes... 

Functionalized magnetic core–zeolitic shell nanocomposites were prepared via hydrothermal and precipitation methods. The products were characterized by vibrating sample magnetometer, X-ray powder diffraction, Fourier transform infrared spectroscopy, nitrogen adsorption–desorption isotherms, and transmission electron microscopy analysis. The growth of mordenite nanocrystals on the outer surface of silica-coated magnetic nanoparticles at the presence of organic templates was well approved. The removal performance and the selectivity of mixed metal ions (Pb2+ and Cd2+) in aqueous solution were investigated via the sorption process. The batch method was employed to study the sorption kinetic,... 

Ab initio, DFT, Monte Carlo statistical mechanics and atom in molecule methods have been applied to investigate the hydrogen bonding effect of protic solvents, apart from the bulk properties, on the reaction of cyclopentadiene and vinyl acetate. The results show that methanol accelerates the rate of the reaction more than water. DFT calculations demonstrate that the interaction of the carbonyl group oxygen atom with solvent molecules in transition state is stronger and more effective than the ether-type oxygen atom. Also, when the solvent molecule is near the oxygen of the carbonyl group the rate of reaction is larger than when it is near the ether-type oxygen. In addition, methanol... 

Electrochemical oxidation of acetaminophen (N–acetyl–p–aminophenol) (1) has been studied in the presence of dimethylamine (2) as a nucleophile in aqueous solution, by means of cyclic voltammetry and controlled-potential coulometry. The results indicate the participation of electrochemically generated N-acetyl-p-quinoneimine (1a) in Michael reaction with dimethylamine (2). Based on ECE mechanism, the observed homogeneous rate constant (kobs) of the above mentioned reaction is estimated by comparing the experimental cyclic voltammograms with the digital simulated results. Further more; kinetics and mechanism of the reaction were studied with ab initio calculation, Monte Carlo and QM/MM... 

We demonstrate theoretically by density functional non-equilibrium Green's function method that a much simplest two-terminal wire can exhibit switching, and we present a realistic theory of its behavior. We consider a C20-bowl molecular wire sandwiched between an Au (1 0 0) substrate and a monatomic Au scanning tunneling microscope (STM) tip. Lateral motion of the tip over the pentagon ring causes it to change from one conformation class to the other and to switch between a strongly and a weakly conducting state. Thus, surprisingly, despite their apparent simplicity, these Au/C20/Au nanowires are shown to be a convenient switch, the simplest two-terminal molecular switches to date.... 

In this paper, we study the electrical transport and Negative Differential Resistance (NDR) in a single molecular conductor consisting of a cysteine sandwiched between two Au(111) electrodes via the Density Functional Theory-based Nonequilibrium Green's Function (DFT-NEGF) method. We show that (surprisingly, despite their apparent simplicity, these Au/cysteine/Au nanowires are shown to be a convenient NDR device) the smallest two-terminal molecular wire can exhibit NDR behavior to date. Experiments with a conventional or novel self-assembled monolayer (SAM) are proposed to test these predictions. The projected density of states (PDOSs) and transmission coefficients T(E) under various... 

This article has been retracted at the request of the Editorial Board of Current Applied Physics. Please see Elsevier Policy on Article Withdrawal (http://www.elsevier.com/locate/withdrawalpolicy). Reason: The authors have plagiarized part of a paper that had already appeared in J. Phys. Chem. B, 109 (2005) 3334–3339: “Changes of Coupling between the Electrodes and the Molecule under External Bias Bring Negative Differential Resistance, by Xingqiang Shi, Xiaohong Zheng, Zhenxiang Dai, Yang Wang, and Zhi Zeng”. One of the conditions of submission of a paper for publication is that authors declare explicitly that their work is original and has not appeared in a publication elsewhere. Re-use... 

Zeolite-based photocatalysts were prepared by the sol-gel and deposition methods. The photocatalysts were characterised by X-ray diffraction, nitrogen adsorption-desorption isotherms, FTIR spectroscopy, scanning electron microscopy and energy-dispersive X-ray spectrometry. The activity of the prepared photocatalysts was evaluated by the UV-induced degradation of acid blue 92, a textile dye in common use. The effect of various parameters, such as catalyst concentration, initial dye concentration, thiosulphate concentration and pH, on the rate and efficiency of the photocatalytic degradation of acid blue 92 was investigated. The results showed that each parameter influenced the degradation...