Search results for: Metal foam

Authors: O. O. Olawusi-Peters, O. E. Aguda, F. O. Okoye

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Investigations on the accumulation of heavy metals in water and sediments of river Ogbese were carried out between December 2010 and February 2011 using Atomic Absorption Spectrophotometer. Etheria elliptica a sessile organism was also used to determine the concentration of heavy metal in the aquatic environmental. In water, Cu had the highest concentration (0.55 – 0.13 mg/l ±0.1) while in sediments, the highest value obtained was in Fe (1.46-3.89mg/l±0.27). The minimum concentrations recorded were in Pb; which was below detectable level. The result also revealed that the shell accumulate more heavy metals than the flesh of the mussel with Cu in the shell exhibiting a negative correlation with all the metals in the flesh. However, the condition factor (K) value is 6.44, an indication of good health. The length-weight relationship is expressed as W = -0.48 x L 1.94 (r2 = 0.29) showing the growth pattern to be negatively allometric.

Keywords: Condition factor, Etheria elliptica, heavy metals, River Ogbese.

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Authors: Q. Wei, D. G. Hwang, Z. Mohy-Udin, D. H. Shin, J. H. Park, M. Y. Kang, J. H. Cho

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This study presents design of a carbon silicon electrode for iontophorsis treatment towards alopecia. The alopecia is a medical description means loss of hair from the body. For solving this problem, the drug need to be delivered into the scalp, therefore, the iontophoresis was chosen to use in this treatment. However, almost common electrodes of iontophoresis device are made with metal material, the electrodes could give patients hurt when they using it, and it is hard to avoid the hair for attaching the hair. For this reason, an electrode is made with silicon material to decrease the hurt from the electrodes, and the carbon material is mixed in it for increasing conductance. The several cones with stainless material on the electrode make the electrode is able to void hair to attach the affected part. According to the results of a vivo-experiment, the carbon silicon electrode showed a good performance and in treatment comfortably.

Keywords: Carbon silicon, drug delivery system, iontophoresis

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Authors: Abbas Hani

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The concentrations of As, Hg, Co, Cr and Cd were tested for each soil sample, and their spatial patterns were analyzed by the semivariogram approach of geostatistics and geographical information system technology. Multivariate statistic approaches (principal component analysis and cluster analysis) were used to identify heavy metal sources and their spatial pattern. Principal component analysis coupled with correlation between heavy metals showed that primary inputs of As, Hg and Cd were due to anthropogenic while, Co, and Cr were associated with pedogenic factors. Ordinary kriging was carried out to map the spatial patters of heavy metals. The high pollution sources evaluated was related with usage of urban and industrial wastewater. The results of this study helpful for risk assessment of environmental pollution for decision making for industrial adjustment and remedy soil pollution.

Keywords: Geographic Information system, Geostatistics, Kaveh, Multivariate Statistical Analysis.

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Authors: L. Rozumová, J. Seidlerová

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The aim of this paper was to study the sorption properties of a blast furnace sludge used as the sorbent. The sorbent was utilized for reduction of content of lead and zinc ions. Sorbent utilized in this work was obtained from metallurgical industry from process of wet gas treatment in iron production. The blast furnace sludge was characterized by X-Ray diffraction, scanning electron microscopy, and XRFS spectroscopy. Sorption experiments were conducted in batch mode. The sorption of metal ions in the sludge was determined by correlation of adsorption isotherm models. The adsorption of lead and zinc ions was best fitted with Langmuir adsorption isotherms. The adsorption capacity of lead and zinc ions was 53.8 mg.g^-1 and 10.7 mg.g^-1, respectively. The results indicated that blast furnace sludge could be effectively used as secondary material and could be also employed as a low-cost alternative for the removal of heavy metals ions from wastewater.

Keywords: Blast furnace sludge, lead, zinc, sorption.

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Authors: Muhammad Marsudi, Hani Shafeek

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The purpose of this paper is to simulate the production process of a metal stamping industry and to evaluate the utilization of the production line by using ARENA simulation software. The process time and the standard time for each process of the production line is obtained from data given by the company management. Other data are collected through direct observation of the line. There are three work stations performing ten different types of processes in order to produce a single product type. Arena simulation model is then developed based on the collected data. Verification and validation are done to the Arena model, and finally the result of Arena simulation can be analyzed. It is found that utilization at each workstation will increase if batch size is increased although throughput rate remains/is kept constant. This study is very useful for the company because the company needs to improve the efficiency and utilization of its production lines.

Keywords: Arena software, case study, production line, utilization.

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Authors: Dong Hun Kim, Won Kyu Lee, Sok Won Kim

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Small cracks or chips of a product appear very frequently in the course of continuous production of an automatic press process system. These phenomena become the cause of not only defective product but also damage of a press mold. In order to solve this problem AE system was introduced. AE system was expected to be very effective to real time detection of the defective product and to prevention of the damage of the press molds. In this study, for pick and analysis of AE signals generated from the press process, AE sensors/pre-amplifier/analysis and processing board were used as frequently found in the other similar cases. For analysis and processing the AE signals picked in real time from the good or bad products, specialized software called cdm8 was used. As a result of this work it was conformed that intensity and shape of the various AE signals differ depending on the weight and thickness of metal sheet and process type.

Keywords: press, acoustic emission, signal processing

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Authors: Hai-Qing Xie, Yun Zeng, Yong-Hong Yan, Jian-Ping Zeng, Tai-Hong Wang

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Photo-BJMOSFET (Bipolar Junction Metal-Oxide- Semiconductor Field Effect Transistor) fabricated on SOI film was proposed. ITO film is adopted in the device as gate electrode to reduce light absorption. Depletion region but not inversion region is formed in film by applying gate voltage (but low reverse voltage) to achieve high photo-to-dark-current ratio. Comparisons of photoelectriccharacteristics executed among VGK=0V, 0.3V, 0.6V, 0.9V and 1.0V (reverse voltage VAK is equal to 1.0V for total area of 10×10μm2). The results indicate that the greatest improvement in photo-to-dark-current ratio is achieved up to 2.38 at VGK=0.6V. In addition, photo-BJMOSFET is compatible with CMOS integration due to big input resistance

Keywords: Photo-BJMOSFET, Responsivity, Sensitivity, Spectral response.

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Authors: Jyoti Narayan, S. Choudhary

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Nanowire arrays of copper with uniform diameters have been synthesized by potentiostatic electrochemical metal deposition (EMD) of copper sulphate and potassium chloride solution within the nano-channels of porous Indium-Tin Oxide (ITO), also known as Tin doped Indium Oxide templates. The nanowires developed were fairly continuous with diameters ranging from 110-140 nm along the entire length. Single as well as poly-crystalline copper wires have been prepared by application of appropriate potential during the EMD process. Scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM), small angle electron diffraction (SAED) and atomic force microscopy (AFM) were used to characterize the synthesized nano wires at room temperature. The electrochemical response of synthesized products was evaluated by cyclic voltammetry while surface energy analysis was carried out using a Goniometer.

Keywords: Electro-deposition, Metallic nano-wires, Nanomaterials, Template synthesis

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Authors: I. M. Sur, A. M. Chirila-Babau, T. Gabor, V. Micle

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This paper shows researches in order to extract Cr, Cu and Ni from the polluted soils. Research is based on preliminary studies regarding the usage of Thiobacillus ferrooxidans bacterium (9K medium) for bioleaching of soil polluted with heavy metal (Cu, Cr and Ni). The microorganisms (Thiobacillus ferooxidans) selected directly from polluted soil samples were used in this experimental work. Soil samples used in the experimental research were taken from an area polluted with heavy metals from Romania. The soil samples are subjected to the cleaning process using the 9K medium solution (20 mL and 40 mL, respectively), stirred 200 rpm for 20 hours at a controlled temperature (30 ˚C). During the experiment (0, 2, 4, 8 and 20 h), liquid samples have been extracted and analyzed using the Atomic Absorption Spectrophotometer AA-6800 (AAS) in order to determine the Cr, Cu and Ni concentration. Experiments led to the conclusion that these soils can be depolluted by bioleaching, being a biological treatment method involving the use of microorganisms to favor the extraction of Cr, Cu and Ni from polluted soils.

Keywords: Bioleaching, extraction, microorganisms, polluted soil, Thiobacillus ferooxidans.

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Authors: Tao Liu, Qingliang Yu, H. J. H. Brouwers

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Among the reaction products in the alkali activated ground granulated blast furnace slag (AAS), the layered double hydroxides (LDHs) have a remarkable capacity of chloride and heavy metal ions absorption. The promotion of LDH phases in the AAS matrix can increase chloride resistance. The objective of this study is that using the different dosages of sodium aluminate to activate slag, consequently, promoting the formation of in-situ LDH. The hydration kinetics of the sodium aluminate activated slag (SAAS) was tested by the isothermal calorimetry. Meanwhile, the reaction products were determined by X-ray diffraction (XRD), thermogravimetric analysis (TGA), and Fourier-transform infrared spectroscopy (FTIR). The sodium hydroxide activated slag is selected as the reference. The results of XRD, TGA, and FTIR showed that the formation of LDH in SAAS is governed by the aluminate dosages.

Keywords: ground granulated blast furnace slag, sodium aluminate activated slag, in-situ LDH formation, chloride absorption

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Authors: D. V. Sreekanth, M. Sreenivasa Rao

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Abrasive jet machining is one of the promising non-traditional machining processes which uses mechanical energy (pressure and velocity) for machining various materials. The process parameters that influence the metal removal rate are kerfs, surface finish, depth of cut, air pressure, and distance between nozzle and work piece, nozzle diameter, abrasive type, abrasive shape, and mass flow rate of abrasive particles. The abrasive particles coming out with high pressure not only hits work surface but also passes through the nozzle resulting in erosion. This paper focuses mainly on the effect of different parameters on the erosion of nozzle in Abrasive jet machining. Three different types of nozzles made of sapphire, tungsten carbide, and high carbon high chromium steel (HCHCS) are used for machining glass and the erosion of these nozzles are calculated. The results are shown in tabular form and graphical representation.

Keywords: AJM, nozzle, sapphire, tungsten carbide, chrome steel.

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Authors: S. Krishnan, J. Dumbre, S. Bhatt, Esther T. Akinlabi, R. Ramalingam

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The localized corrosion behavior of laser surface melted 304L austenitic stainless steel was studied by potentiodynamic polarization test. The extent of improvement in corrosion resistance was governed by the preferred orientation and the percentage of delta ferrite present on the surface of the laser melted sample. It was established by orientation imaging microscopy that the highest pitting potential value was obtained when grains were oriented in the most close- packed [101] direction compared to the random distribution of the base metal and other laser surface melted samples oriented in [001] direction. The sample with lower percentage of ferrite had good pitting resistance.

Keywords: Crystallographic orientation, Ferrite percentage, Laser melting, Pitting corrosion, 304L SS.

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Authors: E. M. Anawa, A. G. Olabi

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The dissimilar joint between aluminum/titanium alloys (Al 6082 and Ti G2) were successfully achieved by CO2 laser welding with a single pass and without filler material using the overlap joint design. Laser welding parameters ranges combinations were experimentally determined using Taguchi approach with the objective of producing welded joint with acceptable welding profile and high quality of mechanical properties. In this study a joining of dissimilar Al 6082 / Ti G2 was resulted in three distinct regions fusion area in the weldment. These regions are studied in terms of its microstructural characteristics and microhardness which are directly affecting the welding quality. The weld metal was mainly composed of martensite alpha prime. In two different metals in the two different sides of joint HAZ, grain growth was detected. The microhardness of the joint distribution also has shown microhardness increasing in the HAZ of two base metals and a varying microhardness in fusion zone.

Keywords: Micro-hardness, Microstructure, laser welding, dissimilar jointed materials.

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Authors: Nik N. Nik Daud, Nur H. Izehar, B. Yusuf, Thamer A. Mohamed, A. Ahsan

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An experiment was conducted using two aeration methods (water-into-air and air-into-water) and followed by filtration processes using manganese greensand material. The properties of groundwater such as pH, dissolved oxygen, turbidity and heavy metal concentration (iron and manganese) will be assessed. The objectives of this study are i) to determine the effective aeration method and ii) to assess the effectiveness of manganese greensand as filter media in removing iron and manganese concentration in groundwater. Results showed that final pH for all samples after treatment are in range from 7.40 and 8.40. Both aeration methods increased the dissolved oxygen content. Final turbidity for groundwater samples are between 3 NTU to 29 NTU. Only three out of eight samples achieved iron concentration of 0.3mg/L and less and all samples reach manganese concentration of 0.1mg/L and less. Air-into-water aeration method gives higher percentage of iron and manganese removal compare to water-into-air method.

Keywords: Aeration, filtration, groundwater, water quality.

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Authors: S. Heydari, H. Sharififard, M. Nabavinia, H. Kiani, M. Parvizi

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Rapid industrialization has led to increased disposal of heavy metals into the environment. Activated carbon adsorption has proven to be an effective process for the removal of trace metal contaminants from aqueous media. This paper was investigated chromium adsorption efficiency by commercial activated carbon. The sorption studied as a function of activated carbon particle size, dose of activated carbon and initial pH of solution. Adsorption tests for the effects of these factors were designed with Taguchi approach. According to the Taguchi parameter design methodology, L9 orthogonal array was used. Analysis of experimental results showed that, the most influential factor was initial pH of solution. The optimum conditions for chromium adsorption by activated carbons were found to be as follows: initial feed pH 6, adsorbent particle size 0.412 mm and activated carbon dose 6 g/l. Under these conditions, nearly %100 of chromium ions was adsorbed by activated carbon after 2 hours.

Keywords: Chromium, Adsorption, Taguchi method, Activated carbon.

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Authors: Sukhleen Bindra Narang, Dalveer Kaur, Kunal Pubby

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Dielectric ceramic samples in the BaO-Re2O3-TiO2 ternary system were synthesized with structural formula Ba2- xRe4+2x/3Ti8O24 where Re= rare earth metal and Re= Sm and La where x varies from 0.0 to 0.6 with step size 0.1. Polycrystalline samples were prepared by the conventional solid state reaction technique. The dielectric, electrical and impedance analysis of all the samples in the frequency range 1KHz- 1MHz at room temperature (25°C) have been done to get the understanding of electrical conduction and dielectric relaxation and their correlation. Dielectric response of the samples at lower frequencies shows dielectric dispersion while at higher frequencies it shows dielectric relaxation. The ac conductivity is well fitted by the Jonscher law. The spectroscopic data in the impedance plane confirms the existence of grain contribution to the relaxation. All the properties are found out to be function of frequency as well as the amount of substitution.

Keywords: Dielectric ceramics, Dielectric constant, Loss tangent, AC conductivity, Impedance spectroscopy.

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Authors: M. Mamatha, H. B. Aravinda, E. T. Puttaiah, S. Manjappa

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One of the causes of water pollution is the presence of heavy metals in water. In the present study, an adsorbent prepared from the raw bark of the Pongamia pinnata tree is used for the removal of ferrous or ferric ions from aqueous and waste water containing heavy metals. Adsorption studies were conducted at different pH, concentration of metal ion, amount of adsorbent, contact time, agitation and temperature. The Langmuir and Freundlich adsorption isotherm models were applied for the results. The Langmuir isotherms were best fitted by the equilibrium data. The maximum adsorption was found to 146mg/g in waste water at a temperature of 30°C which is in agreement as comparable to the adsorption capacity of different adsorbents reported in literature. Pseudo second order model best fitted the adsorption of both ferrous and ferric ions.

Keywords: Adsorption, Adsorption isotherms, Heavy metals, Industrial effluents.

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Authors: N. Kotabin, Y. Tahara, K. Issakul, O. Chunhachart

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Cadmium (II) (Cd) is one of the major toxic elemental pollutants, which is hazardous for humans, animals and plants. γ- Polyglutamic acid (γ-PGA) is an extracellular biopolymer produced by several species of Bacillus which has been reported to be an effective biosorbent for metal ions. The effect of γ-PGA on growth of rice grown under laboratory conditions was investigated. Rice seeds were germinated and then grown at 30±1°C on filter paper soaked with Cd solution and γ-PGA for 7 days. The result showed that Cd significantly inhibited the growth of roots, shoots by reducing root, and shoot lengths. Fresh and dry weights also decreased compared with control; however, the addition of 500 mg·L-1 γ-PGA alleviated rice seedlings from the adverse effects of Cd. The analysis of physiological traits revealed that Cd caused a decrease in the total chlorophyll and soluble protein contents and amylase activities in all treatments. The Cd content in seedling tissues increased for the Cd 250 μM treatment (P<0.05) but the addition of 500 mg·L-1 γ-PGA resulted in a noticeable decrease in Cd (P<0.05).

Keywords: Polyglutamic acid, Cadmium, Rice, Bacillus subtilis.

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Authors: Ivan Balázs, Jindřich Melcher

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Metal thin-walled members have been widely used in building industry. Usually they are utilized as purlins, girts or ceiling beams. Due to slenderness of thin-walled cross-sections these structural members are prone to stability problems (e.g. flexural buckling, lateral torsional buckling). If buckling is not constructionally prevented their resistance is limited by buckling strength. In practice planar members of roof or wall cladding can be attached to thin-walled members. These elements reduce displacement of thin-walled members and therefore increase their buckling strength. If this effect is taken into static assessment more economical sections of thin-walled members might be utilized and certain savings of material might be achieved. This paper focuses on problem of determination of critical load of steel thin-walled beams with lateral continuous restraint which is crucial for lateral torsional buckling assessment.

Keywords: Beam, buckling, numerical analysis, stability, steel.

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Authors: Ravindra Mallya, B. Satish Shenoy, B. Raghuvir Pai

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The study deals with the challenges in developing a test rig to test the performance of water lubricated journal bearing. The test rig is designed to simulate the working conditions of the bearing in order to understand their performance before they are put in operation. The bearing that is studied is the commercially available water lubricated bearing which has a rubber liner bonded with a rigid metal shell. The lubricant enters the bearing axially through a pressurized inlet tank and exits to an outlet tank which is at sufficiently low pressure. The load on the bearing is applied through the dead weight system which acts both in upward and downward direction so that net load acts on the bearing. The issues in feeding the lubricant into the bearing from the inlet side and preventing the leakage of the lubricant is discussed. The application of the load on the test bearing while maintaining the bearing afloat is also discussed.

Keywords: Axial groove, hydrodynamic pressure, journal bearing, test rig, water lubrication.

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Authors: Vinod Kumar, Jatinder Kumar

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The use of hard and brittle material has become increasingly more extensive in recent years. Therefore processing of these materials for the parts fabrication has become a challenging problem. However, it is time-consuming to machine the hard brittle materials with the traditional metal-cutting technique that uses abrasive wheels. In addition, the tool would suffer excessive wear as well. However, if ultrasonic energy is applied to the machining process and coupled with the use of hard abrasive grits, hard and brittle materials can be effectively machined. Ultrasonic machining process is mostly used for the brittle materials. The present research work has developed models using finite element approach to predict the mechanical stresses sand strains produced in the tool during ultrasonic machining process. Also the flow behavior of abrasive slurry coming out of the nozzle has been studied for simulation using ANSYS CFX module. The different abrasives of different grit sizes have been used for the experimentation work.

Keywords: Stress, MRR, Flow, Ultrasonic Machining

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Authors: M. Bagheri, P. Mottaghizadeh

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Reliable information about tool temperature distribution is of central importance in metal cutting. In this study, tool-chip interface temperature was determined in cutting of ST37 steel workpiece by applying HSS as the cutting tool in dry turning. Two different approaches were implemented for temperature measuring: an embedded thermocouple (RTD) in to the cutting tool and infrared (IR) camera. Comparisons are made between experimental data and results of MSC.SuperForm and FLUENT software. An investigation of heat generation in cutting tool was performed by varying cutting parameters at the stable cutting tool geometry and results were saved in a computer; then the diagrams of tool temperature vs. various cutting parameters were obtained. The experimental results reveal that the main factors of the increasing cutting temperature are cutting speed (V ), feed rate ( S ) and depth of cut ( h ), respectively. It was also determined that simultaneously change in cutting speed and feed rate has the maximum effect on increasing cutting temperature.

Keywords: Cutting parameters, Finite element modeling, Temperature measurement, Tool-chip interface temperature.

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Authors: K. E. Kaharudin, A. H. Hamidon, F. Salehuddin

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Vertical Double Gate (DG) Metal Oxide Semiconductor Field Effect Transistor (MOSFET) is believed to suppress various short channel effect problems. The gate to channel coupling in vertical DG-MOSFET are doubled, thus resulting in higher current density. By having two gates, both gates are able to control the channel from both sides and possess better electrostatic control over the channel. In order to ensure that the transistor possess a superb turn-off characteristic, the subs-threshold swing (SS) must be kept at minimum value (60-90mV/dec). By utilizing SILVACO TCAD software, an n-channel vertical DG-MOSFET was successfully designed while keeping the sub-threshold swing (SS) value as minimum as possible. From the observation made, the value of sub-threshold swing (SS) was able to be varied by adjusting the height of the silicon pillar. The minimum value of sub-threshold swing (SS) was found to be 64.7mV/dec with threshold voltage (V_TH) of 0.895V. The ideal height of the vertical DG-MOSFET pillar was found to be at 0.265 µm.

Keywords: DG-MOSFET, pillar, SCE, vertical

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Authors: Astghik R. Sukiasyan

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The semidental sweet maize of Armenian population under drought stress and pollution by some heavy metals (HMs) in sites along the river Debet was studied. Accordingly, the objective of this work was to investigate the antioxidant status of maize plant in order to identify simple and reliable criteria for assessing the degree of adaptation of plants to abiotic stress of drought and HMs. It was found that in the case of removal from the mainstream of the river, the antioxidant status of the plant varies. As parameters, the antioxidant status of the plant has been determined by the activity of malondialdehyde (MDA) and Ferric Reducing Ability of Plasma (FRAP), taking into account the characteristics of natural drought of this region. The possibility of using some indicators which characterized the antioxidant status of the plant was concluded. The criteria for assessing the extent of environmental pollution could be HMs. This fact can be used for the early diagnosis of diseases in the population who lives in these areas and uses corn as the main food.

Keywords: Antioxidant status, maize corn, drought stress, heavy metal.

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Authors: Mohamed Zakaulla, A. R. Anwar Khan

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Al6061 alloy base matrix, reinforced with particles of silicon carbide (10 wt %) and Graphite powder (1wt%), known as hybrid composites have been fabricated by liquid metallurgy route (stir casting technique) and optimized at different parameters like applied load, sliding speed and sliding distance by taguchi method. A plan of experiment generated through taguchi technique was used to perform experiments based on L27 orthogonal array. The developed ANOVA and regression equations are used to find the optimum coefficient of friction and wear under the influence of applied load, sliding speed and sliding distance. On the basis of “smaller the best” the dry sliding wear resistance was analysed and finally confirmation tests were carried out to verify the experimental results.

Keywords: Analysis of variance, dry sliding wear, Hybrid composite, orthogonal array, Taguchi technique.

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Authors: Amir Ansari, Ehsan Shahrjerdi, Ehsan Amini

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To investigate the behavior of sheet metals during forming tailor welded blanks (TWB) of various thickness made via Co2 Laser welding are under consideration. These blanks are formed used two different forming methods of rubber as well as the conventional punch and die methods. The main research objective is the effects of using a rubber die instead of a solid one the displacement of the weld line and the press force needed for forming. Specimens with thicknesses of 0.5, 0.6, 0.8 and 1mm are subjected to Erichsen two dimensional tests and the resulted force for each case are compared. This is followed by a theoretical and numerical study of press force and weld line displacement. It is concluded that using rubber pad forming (RPF) causes a reduction in weld line displacement and an increase in the press force.

Keywords: Rubber pad forming, Tailor welded blank, Thickness ratio, Weld line displacement.

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Authors: Ramin Yousefi, Muhamad. Rasat. Muhamad

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We investigated a modified thermal evaporation method in the growth process of ZnO nanowires. ZnO nanowires were fabricated on p-type silicon substrates without using a metal catalyst. A simple horizontal double-tube system along with chemical vapor diffusion of the precursor was used to grow the ZnO nanowires. The substrates were placed in different temperature zones, and ZnO nanowires with different diameters were obtained for the different substrate temperatures. In addition to the nanowires, ZnO microdiscs with different diameters were obtained on another substrate, which was placed at a lower temperature than the other substrates. The optical properties and crystalline quality of the ZnO nanowires and microdiscs were characterized by room temperature photoluminescence (PL) and Raman spectrometers. The PL and Raman studies demonstrated that the ZnO nanowires and microdiscs grown using such set-up had good crystallinity with excellent optical properties. Rectifying behavior of ZnO/Si heterostructures was characterized by a simple DC circuit.

Keywords: ZnO nano and microstructures, Photoluminescence, Raman, Rectifying behavior.

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Authors: M. Jahangiri Lahkani, Gh. Ghassemi, N. Sohrabi, N. Rasooli

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Geometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF and DFT methods employing Lanl2DZ basis set. In this work structural, energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zero-point energy with freq calculation. The NICS(Nucleous Independent Chemical Shift) Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.

Keywords: Frequency Calculation, Hartree-Fock (HF), Nucleous Independent Chemical Shift (NICS), Salen(bis(Salicylidene)1, 2-ethylenediamine).

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Authors: S. K. Al-Musharafi, I. Y. Mahmoud, S. N. Al-Bahry

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Freshly laid eggs from green turtles, Chelonia mydas, were randomly collected from Ras Al-Hadd Reserve, Oman. Eggshells taken from eggs and sand collected from the body chamber were analyzed for eight heavy metals (Al, Br, Cd, Co, Cu, Fe, S, and Zn) using inductively coupled plasma mass spectrometry (ICP). Heavy metal concentrations varied significantly (P<0.05) between nest sand and eggshells. Zn values were significantly higher than the other heavy metals. A total of 60 heterotrophic bacteria belong to eight genera were isolated from fresh egg contents (albumen and yolk). Resistance of the isolates to Ak = amikacin, Ak = amikacin, Amp= ampicillin, Gm= gentamycin, Cn = chloramphenicol, Min = minocycline, N = Neomycin, S= streptomycin, Smx = sulphamethoxazole, Tmp = trimethoprim, Tob = tobramycin was tested. More than 40% of the isolates were multiple resistant to 2-10 antibiotics. Most of the resistant strains were also resistant to Zn. The value of these findings may indicate that the origin of pollution is of human contaminated effluents.

Keywords: Antibiotic resistance, bacteria, environment, heavy metals, sea turtles.

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Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH₂)₃NAr)}^2-((ηⁿ-Cp)Cp)} (Ar = 2,6-Prⁱ₂C₆H₃)(Cp = C₅H₅ and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH₂)₃NAr)₂Cl(η⁵-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH₂)₃NAr)₂Cl(η¹-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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