Search results for: Zinc- aluminum alloy
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1834

Search results for: Zinc- aluminum alloy

1054 Corrosion Inhibition of AA2024 Alloy with Graphene Oxide Derivative: Electrochemical and Surface Analysis

Authors: Nisrine Benzbiria, Abderrahmane Thoume, Mustapha Zertoubi

Abstract:

The goal of this research is to investigate the corrosion inhibition potential of functionalized graphene oxide (GO) with oxime derivative on AA2024-T3 surface in synthetic seawater. The utilization of functionalized graphene oxide is creating a category of corrosion inhibitors known as organically modified nanomaterials. In our work, the functionalization of GO by chalcone oxime enables graphene oxide to have enhanced water solubility and a good corrosion mitigation capacity. Fourier-transform infrared (FT-IR) spectroscopy was utilized to evaluate the main functional groups of the inhibitor. Electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization curves (PDP) showed that the inhibitor acts as a mixed-type inhibitor. The inhibitory efficiency (IE) improved as the concentration increased to a value of 96% after one hour of exposure to a medium containing 60 mg/L ppm of the inhibitor. According to thermodynamic calculations, the adsorption of the inhibitor on the AA2024-T3 surface in 3% NaCl followed the Langmuir isotherm. The formation of a barrier layer was further confirmed by surface analysis. The protective film prevented the alloy dissolution and limited the accessibility of attacking ions, as evinced by solution analysis techniques.

Keywords: AA2024-T3, NaCl, electrochemical methods, FT-IR, SEM/AFM, DFT, MC simulation

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1053 Effect of Al Addition on Microstructure and Properties of NbTiZrCrAl Refractory High Entropy Alloys

Authors: Xiping Guo, Fanglin Ge, Ping Guan

Abstract:

Refractory high entropy alloys are alternative materials expected to be employed at high temperatures. The comprehensive changes of microstructure and properties of NbTiZrCrAl refractory high entropy alloys are systematically studied by adjusting Al content. Five kinds of button alloy ingots with different contents of Al in NbTiZrCrAlX (X=0, 0.2, 0.5, 0.75, 1.0) were prepared by vacuum non-consumable arc melting technology. The microstructure analysis results show that the five alloys are composed of BCC solid solution phase rich in Nb and Ti and Laves phase rich in Cr, Zr, and Al. The addition of Al changes the structure from hypoeutectic to hypereutectic, increases the proportion of Laves phase, and changes the structure from cubic C15 to hexagonal C14. The hardness and fracture toughness of the five alloys were tested at room temperature, and the compressive mechanical properties were tested at 1000℃. The results showed that the addition of Al increased the proportion of Laves phase and decreased the proportion of the BCC phase, thus increasing the hardness and decreasing the fracture toughness at room temperature. However, at 1000℃, the strength of 0.5Al and 0.75Al alloys whose composition is close to the eutectic point is the best, which indicates that the eutectic structure is of great significance for the improvement of high temperature strength of NbTiZrCrAl refractory high entropy alloys. The five alloys were oxidized for 1 h and 20 h in static air at 1000℃. The results show that only the oxide film of 0Al alloy falls off after oxidizing for 1 h at 1000℃. After 20h, the oxide film of all the alloys fell off, but the oxide film of alloys containing Al was more dense and complete. By producing protective oxide Al₂O₃, inhibiting the preferential oxidation of Zr, promoting the preferential oxidation of Ti, and combination of Cr₂O₃ and Nb₂O₅ to form CrNbO₄, Al significantly improves the high temperature oxidation resistance of NbTiZrCrAl refractory high entropy alloys.

Keywords: NbTiZrCrAl, refractory high entropy alloy, al content, microstructural evolution, room temperature mechanical properties, high temperature compressive strength, oxidation resistance

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1052 Indium-Gallium-Zinc Oxide Photosynaptic Device with Alkylated Graphene Oxide for Optoelectronic Spike Processing

Authors: Seyong Oh, Jin-Hong Park

Abstract:

Recently, neuromorphic computing based on brain-inspired artificial neural networks (ANNs) has attracted huge amount of research interests due to the technological abilities to facilitate massively parallel, low-energy consuming, and event-driven computing. In particular, research on artificial synapse that imitate biological synapses responsible for human information processing and memory is in the spotlight. Here, we demonstrate a photosynaptic device, wherein a synaptic weight is governed by a mixed spike consisting of voltage and light spikes. Compared to the device operated only by the voltage spike, ∆G in the proposed photosynaptic device significantly increased from -2.32nS to 5.95nS with no degradation of nonlinearity (NL) (potentiation/depression values were changed from 4.24/8 to 5/8). Furthermore, the Modified National Institute of Standards and Technology (MNIST) digit pattern recognition rates improved from 36% and 49% to 50% and 62% in ANNs consisting of the synaptic devices with 20 and 100 weight states, respectively. We expect that the photosynaptic device technology processed by optoelectronic spike will play an important role in implementing the neuromorphic computing systems in the future.

Keywords: optoelectronic synapse, IGZO (Indium-Gallium-Zinc Oxide) photosynaptic device, optoelectronic spiking process, neuromorphic computing

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1051 Zinc Oxide Nanoparticle-Doped Poly (8-Anilino-1-Napthalene Sulphonic Acid/Nat Nanobiosensors for TB Drugs

Authors: Rachel Fanelwa Ajayi, Anovuyo Jonnas, Emmanuel I. Iwuoha

Abstract:

Tuberculosis (TB) is an infectious disease caused by the bacterium (Mycobacterium tuberculosis) which has a predilection for lung tissue due to its rich oxygen supply. The mycobacterial cell has a unique innate characteristic which allows it to resist human immune systems and drug treatments; hence, it is one of the most difficult of all bacterial infections to treat, let alone to cure. At the same time, multi-drug resistance TB (MDR-TB) caused by poorly managed TB treatment, is a growing problem and requires the administration of expensive and less effective second line drugs which take much longer treatment duration than fist line drugs. Therefore, to acknowledge the issues of patients falling ill as a result of inappropriate dosing of treatment and inadequate treatment administration, a device with a fast response time coupled with enhanced performance and increased sensitivity is essential. This study involved the synthesis of electroactive platforms for application in the development of nano-biosensors suitable for the appropriate dosing of clinically diagnosed patients by promptly quantifying the levels of the TB drug; Isonaizid. These nano-biosensors systems were developed on gold surfaces using the enzyme N-acetyletransferase 2 coupled to the cysteamine modified poly(8-anilino-1-napthalene sulphonic acid)/zinc oxide nanocomposites. The morphology of ZnO nanoparticles, PANSA/ZnO nano-composite and nano-biosensors platforms were characterized using High-Resolution Transmission Electron Microscopy (HRTEM) and High-Resolution Scanning Electron Microscopy (HRSEM). On the other hand, the elemental composition of the developed nanocomposites and nano-biosensors were studied using Fourier Transform Infra-Red Spectroscopy (FTIR) and Energy Dispersive X-Ray (EDX). The electrochemical studies showed an increase in electron conductivity for the PANSA/ZnO nanocomposite which was an indication that it was suitable as a platform towards biosensor development.

Keywords: N-acetyletransferase 2, isonaizid, tuberculosis, zinc oxide

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1050 Performance Study of Experimental Ferritic Alloy with High Content of Molybdenum in Corrosive Environment of Soybean Methyl Biodiesel

Authors: Maurício N. Kleinberg, Ana P. R. N. Barroso, Frederico R. Silva, Natasha l. Gomes, Rodrigo F. Guimarães, Marcelo M. V. Parente, Jackson Q. Malveira

Abstract:

Increased production of biofuels, especially biodiesel, as an option to replace the diesel derived from oil is already a reality in countries seeking a renewable and environmentally friendly fuel, as is the case in Brazil. However, it is known that the use of fuels, renewable or not, implies that it is in contact with various metallic materials which may cause corrosion. In the search for more corrosion resistant materials has been experimentally observed that the addition of molybdenum in ferritic steels increases their protective character without significantly burdening the cost of production. In order to evaluate the effect of adding molybdenum, samples of commercial steel (austenitic, ferritic and carbon steel) and the experimental ferritic alloy with a high molybdenum content (5.3%) were immersed separately into biodiesel derived from transesterification of soy oil to monitor the corrosion process of these metal samples, and in parallel to analyze the oxidative degradation of biodiesel itself. During the immersion time of 258 days, biodiesel samples were taken for analysis of acidity, kinematic viscosity, density and refraction. Likewise, the metal samples were taken from the biodiesel to be weighed and microstructurally analyzed by light microscopy. The results obtained at the end of 258 days shown that biodiesel presented a considerable increase on the values of the studied parameters for all the samples. However, this increase was not able to produce significant mass loss in metallic samples. As regards the microstructural analysis, it showed the onset of surface oxidation on the carbon steel sample. As for the other samples, no significant surface changes were shown. These results are consistent with literature for short immersion times. It is concluded that the increase in the values of the studied parameters is not significant yet, probably due to the low time of immersion and exposure of the samples. Thus, it is necessary to continue the tests so that the objectives of this work are achieved.

Keywords: biodiesel, corrosion, immersion, experimental alloy

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1049 Green Synthesis and Characterization of Zinc and Ferrous Nanoparticles for Their Potent Therapeutic Approach

Authors: Mukesh Saran, Ashima Bagaria

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Green nanotechnology is the most researched field in the current scenario. Herein we study the synthesis of Zinc and Ferrous nanoparticles using Moringa oleifera leaf extracts. Our protocol using established protocols heat treatment of plant extracts along with the solution of copper sulphate in the ratio of 1:1. The leaf extracts of Moringa oleifera were prepared in deionized water. Copper sulfate solution (1mM) was added to this, and the change in color of the solution was observed indicating the formation of Cu nanoparticles. The as biosynthesized Cu nanoparticles were characterized with the help of Scanning Electron Microscopy (SEM), and Fourier Transforms Infrared Spectroscopy (FTIR). It was observed that the leaf extracts of Moringa oleifera can reduce copper ions into copper nanoparticles within 8 to 10 min of reaction time. The method thus can be used for rapid and eco-friendly biosynthesis of stable copper nanoparticles. Further, we checked their antimicrobial and antioxidant potential, and it was observed that maximum antioxidant activity was observed for the particles prepared using the heating method. The maximum antibacterial activity was observed in Streptomyces grisveus particles and in Triochoderma Reesei for the maximum antifungal activity. At present, we are engaged in studying the anti-inflammatory activities of these as prepared nanoparticles.

Keywords: green synthesis, antibacterial, antioxidant, antifungal, anti-inflammatory

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1048 Gradations in Concentration of Heavy and Mineral Elements with Distance and Depth of Soil in the Vicinity of Auto Mechanic Workshops in Sabon Gari, Kaduna State, Nigeria

Authors: E. D. Paul, H. Otanwa, O. F. Paul, A. J. Salifu, J. E. Toryila, C. E. Gimba

Abstract:

The concentration levels of six heavy metals (Cd, Cr, Fe, Ni, Pb, and Zn) and two mineral elements (Ca and Mg) were determined in soil samples collected from the vicinity of two auto mechanic workshops in Sabon-Gari, Kaduna state, Nigeria, using Atomic Absorption Spectrometry (AAS), in order to compare the gradation of their concentrations with distance and depth of soil from the workshop sites. At site 1, concentrations of lead, chromium, iron, and zinc were generally found to be above the World Health Organization limits, while those of Nickel and Cadmium fell within the limits. Iron had the highest concentration with a range of 176.274 ppm to 489.127 ppm at depths of 5 cm to 15 cm and a distance range of 5 m to 15 m, while the concentration of cadmium was least with a range of 0.001 ppm to 0.008 ppm at similar depth and distance ranges. In addition, there was more of calcium (11.521 ppm to 121.709 ppm), in all the samples, than magnesium (11.293 ppm to 21.635 ppm). Similar results were obtained for site II. The concentrations of all the metals analyzed showed a downward gradient with an increase in depth and distance from both workshop sites except for iron and zinc at site 2. The immediate and remote implications of these findings on the biota are discussed.

Keywords: AAS, heavy metals, mechanic workshops, soil, variation

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1047 Optimization of Process Parameters Affecting on Spring-Back in V-Bending Process for High Strength Low Alloy Steel HSLA 420 Using FEA (HyperForm) and Taguchi Technique

Authors: Navajyoti Panda, R. S. Pawar

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In this study, process parameters like punch angle, die opening, grain direction, and pre-bend condition of the strip for deep draw of high strength low alloy steel HSLA 420 are investigated. The finite element method (FEM) in association with the Taguchi and the analysis of variance (ANOVA) techniques are carried out to investigate the degree of importance of process parameters in V-bending process for HSLA 420&ST12 grade material. From results, it is observed that punch angle had a major influence on the spring-back. Die opening also showed very significant role on spring back. On the other hand, it is revealed that grain direction had the least impact on spring back; however, if strip from flat sheet is taken, then it is less prone to spring back as compared to the strip from sheet metal coil. HyperForm software is used for FEM simulation and experiments are designed using Taguchi method. Percentage contribution of the parameters is obtained through the ANOVA techniques.

Keywords: bending, spring-back, v-bending, FEM, Taguchi, HSLA 420 and St12 materials, HyperForm, profile projector

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1046 Superficial Metrology of Organometallic Chemical Vapour Deposited Undoped ZnO Thin Films on Stainless Steel and Soda-Lime Glass Substrates

Authors: Uchenna Sydney Mbamara, Bolu Olofinjana, Ezekiel Oladele B. Ajayi

Abstract:

Elaborate surface metrology of undoped ZnO thin films, deposited by organometallic chemical vapour deposition (OMCVD) technique at different precursor flow rates, was carried out. Dicarbomethyl-zinc precursor was used. The films were deposited on AISI304L steel and soda-lime glass substrates. Ultraviolet-visible-near-infrared (UV-Vis-NIR) spectroscopy showed that all the thin films were over 80% transparent, with an average bandgap of 3.39 eV, X-ray diffraction (XRD) results showed that the thin films were crystalline with a hexagonal structure, while Rutherford backscattering spectroscopy (RBS) results identified the elements present in each thin film as zinc and oxygen in the ratio of 1:1. Microscope and contactless profilometer results gave images with characteristic colours. The profilometer also gave the surface roughness data in both 2D and 3D. The asperity distribution of the thin film surfaces was Gaussian, while the average fractal dimension Da was in the range of 2.5 ≤ Da. The metrology proved the surfaces good for ‘touch electronics’ and coating mechanical parts for low friction.

Keywords: undoped ZnO, precursor flow rate, OMCVD, thin films, surface texture, tribology

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1045 In-Vivo Association of Multivalent 11 Zinc Fingers Transcriptional Factors CTCF and Boris to YB-1 in Multiforme Glioma-RGBM Cell Line

Authors: Daruliza Kernain, Shaharum Shamsuddin, See Too Wei Cun

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CTCF is a unique, highly conserved and ubiquitously expressed 11 zinc finger (ZF) transcriptional factor with multiple target sites. It is able to bind to various target sequences to perform different regulatory roles including promoter activation or repression, creating hormone-responsive gene silencing element, and functional block of enhancer-promoter interactions. The binding of CTCF to the essential binding site is through the combination of different ZF domain. On the other hand, BORIS for brother of the regulator of imprinted sites, which expressed only in the testis and certain cancer cell line is homology to CTCF 11 ZF domains. Since both transcriptional factors share the same ZF domains hence there is a possibility for both to bind to the same target sequences. In this study, the interaction of these two proteins to multi-functional Y-box DNA/RNA-binding factor, YB-1 was determined. The protein-protein interaction between CTCF/YB-1 and BORIS/YB-1 were discovered by Co-immuno-precipitation (CO-IP) technique through reciprocal experiment from RGBM total cell lysate. The results showed that both CTCF and BORIS were able to interact with YB-1 in Glioma RGBM cell line. To the best of our knowledge, this is the first findings demonstrating the ability of BORIS and YB-1 to form a complex in vivo.

Keywords: immunoprecipitation, CTCF/BORIS/YB-1, transcription factor, molecular medicine

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1044 Mechanical Behaviours of Ti/GFRP/Ti Laminates with Different Surface Treatments of Titanium Sheets

Authors: Amit Kumar Haldar, Mark Simms, Ian McDevitt, Anthony Comer

Abstract:

Interface properties of fiber metal laminates (FML) affects the integrity and deformation failure modes. In this paper, the mechanical behaviours of Ti/GFRP/Ti laminates were experimentally investigated through low-velocity impact tests. Two different surface treatments of Titanium (Ti-6Al-4V) alloy sheets were prepared to obtain the composite interface properties based on annealing and sandblast surface treatment processes. The deformation failure modes, impact load sustaining ability and energy absorption capacity of FMLs were analysed. The impact load and modulus were shown to be dependent on the surface treatments of Titanium (Ti-6Al-4V) alloy sheets. It was demonstrated that the impact load performance was enhanced when titanium surfaces were annealed and sandblasted. It has also been shown that the values of the strength and energy absorption were slightly higher when the tests conducted at relatively higher loading rate, as a result of the rate-sensitive effects on the damage resistance of the FML.

Keywords: fiber metal laminates, metal composite interface, indentation, low velocity impact

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1043 Carbon Nanofibers as the Favorite Conducting Additive for Mn₃O₄ Catalysts for Oxygen Reactions in Rechargeable Zinc-Air Battery

Authors: Augustus K. Lebechi, Kenneth I. Ozoemena

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Rechargeable zinc-air batteries (RZABs) have been described as one of the most viable next-generation ‘beyond-the-lithium-ion’ battery technologies with great potential for renewable energy storage. It is safe, with a high specific energy density (1086 Wh/kg), environmentally benign, and low-cost, especially in resource-limited African countries. For widespread commercialization, the sluggish oxygen reaction kinetics pose a major challenge that impedes the reversibility of the system. Hence, there is a need for low-cost and highly active bifunctional electrocatalysts. Manganese oxide catalysts on carbon conducting additives remain the best couple for the realization of such low-cost RZABs. In this work, hausmannite Mn₃O₄ nanoparticles were synthesized through the annealing method from commercial electrolytic manganese dioxide (EMD), multi-walled carbon nanotubes (MWCNTs) were synthesized via the chemical vapor deposition (CVD) method and carbon nanofibers (CNFs) were synthesized via the electrospinning process with subsequent carbonization. Both Mn₃O₄ catalysts and the carbon conducting additives (MWCNT and CNF) were thoroughly characterized using X-ray powder diffraction spectroscopy (XRD), scanning electron microscopy (SEM), thermogravimetry analysis (TGA) and X-ray photoelectron spectroscopy (XPS). Composite electrocatalysts (Mn₃O₄/CNT and Mn₃O₄/CNF) were investigated for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) in an alkaline medium. Using the established electrocatalytic modalities for evaluating the electrocatalytic performance of materials (including double layer, electrochemical active surface area, roughness factor, specific current density, and catalytic stability), CNFs proved to be the most efficient conducting additive material for the Mn₃O₄ catalyst. From the DFT calculations, the higher performance of the CNFs over the MWCNTs is related to the ability of the CNFs to allow for a more favorable distribution of the d-electrons of the manganese (Mn) and enhanced synergistic effect with Mn₃O₄ for weaker adsorption energies of the oxygen intermediates (O*, OH* and OOH*). In a proof-of-concept, Mn₃O₄/CNF was investigated as the air cathode for rechargeable zinc-air battery (RZAB) in a micro-3D-printed cell configuration. The RZAB showed good performance in terms of open circuit voltage (1.77 V), maximum power density (177.5 mW cm-2), areal-discharge energy and cycling stability comparable to Pt/C (20 wt%) + IrO2. The findings here provide fresh physicochemical perspectives on the future design and utility of CNFs for developing manganese-based RZABs.

Keywords: bifunctional electrocatalyst, oxygen evolution reaction, oxygen reduction reactions, rechargeable zinc-air batteries.

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1042 Stabilization of Metastable Skyrmion Phase in Polycrystalline Chiral β-Mn Type Co₇Zn₇Mn₆ Alloy

Authors: Pardeep, Yugandhar Bitla, A. K. Patra, G. A. Basheed

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The topological protected nanosized particle-like swirling spin textures, “skyrmion,” has been observed in various ferromagnets with chiral crystal structures like MnSi, FeGe, Cu₂OSeO₃ alloys, however the magnetic ordering in these systems takes place at very low temperatures. For skyrmion-based spintronics devices, the skyrmion phase is required to stabilize in a wide temperature – field (T - H) region. The equilibrium skyrmion phase (SkX) in Co₇Zn₇Mn₆ alloy exists in a narrow T – H region just below transition temperature (TC ~ 215 K) and can be quenched by field cooling as a metastable skyrmion phase (MSkX) below SkX region. To realize robust MSkX at 110 K, field sweep ac susceptibility χ(H) measurements were performed after the zero field cooling (ZFC) and field cooling (FC) process. In ZFC process, the sample was cooled from 320 K to 110 K in zero applied magnetic field and then field sweep measurement was performed (up to 2 T) in positive direction (black curve). The real part of ac susceptibility (χ′(H)) at 110 K in positive field direction after ZFC confirms helical to conical phase transition at low field HC₁ (= 42 mT) and conical to ferromagnetic (FM) transition at higher field HC₂ (= 300 mT). After ZFC, FC measurements were performed i.e., sample was initially cooled in zero fields from 320 to 206 K and then a sample was field cooled in the presence of 15 mT field down to the temperature 110 K. After FC process, isothermal χ(H) was measured in positive (+H, red curve) and negative (-H, blue curve) field direction with increasing and decreasing field upto 2 T. Hysteresis behavior in χ′(H), measured after ZFC and FC process, indicates the stabilization of MSkX at 110 K which is in close agreement with literature. Also, the asymmetry between field-increasing curves measured after FC process in both sides confirm the stabilization of MSkX. In the returning process from the high field polarized FM state, helical state below HC₁ is destroyed and only the conical state is observed. Thus, the robust MSkX state is stabilized below its SkX phase over a much wider T - H region by FC in polycrystalline Co₇Zn₇Mn₆ alloy.

Keywords: skyrmions, magnetic susceptibility, metastable phases, topological phases

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1041 Burnishing of Aluminum-Magnesium-Graphite Composites

Authors: Mohammed T. Hayajneh, Adel Mahmood Hassan, Moath AL-Qudah

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Burnishing is increasingly used as a finishing operation to improve surface roughness and surface hardness. This can be achieved by applying a hard ball or roller onto metallic surfaces under pressure, in order to achieve many advantages in the metallic surface. In the present work, the feed rate, speed and force have been considered as the basic burnishing parameters to study the surface roughness and surface hardness of metallic matrix composites. The considered metal matrix composites were made from Aluminum-Magnesium-Graphite with five different weight percentage of graphite. Both effects of burnishing parameters mentioned above and the graphite percentage on the surface hardness and surface roughness of the metallic matrix composites were studied. The results of this investigation showed that the surface hardness of the metallic composites increases with the increase of the burnishing force and decreases with the increase in the burnishing feed rate and burnishing speed. The surface roughness of the metallic composites decreases with the increasing of the burnishing force, feed rate, and speed to certain values, then it starts to increase. On the other hand, the increase in the weight percentage of the graphite in the considered composites causes a decrease in the surface hardness and an increase in the surface roughness.

Keywords: burnishing process, Al-Mg-Graphite composites, surface hardness, surface roughness

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1040 Multi-Response Optimization of CNC Milling Parameters Using Taguchi Based Grey Relational Analysis for AA6061 T6 Aluminium Alloy

Authors: Varsha Singh, Kishan Fuse

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This paper presents a study of the grey-Taguchi method to optimize CNC milling parameters of AA6061 T6 aluminium alloy. Grey-Taguchi method combines Taguchi method based design of experiments (DOE) with grey relational analysis (GRA). Multi-response optimization of different quality characteristics as surface roughness, material removal rate, cutting forces is done using grey relational analysis (GRA). The milling parameters considered for experiments include cutting speed, feed per tooth, and depth of cut. Each parameter with three levels is selected. A grey relational grade is used to estimate overall quality characteristics performance. The Taguchi’s L9 orthogonal array is used for design of experiments. MINITAB 17 software is used for optimization. Analysis of variance (ANOVA) is used to identify most influencing parameter. The experimental results show that grey relational analysis is effective method for optimizing multi-response characteristics. Optimum results are finally validated by performing confirmation test.

Keywords: ANOVA, CNC milling, grey relational analysis, multi-response optimization

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1039 Corrosion Characterization of Al6061 Hybrid Metal Matrix Composites in Acid Medium

Authors: P. V. Krupakara

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This paper deals with the high corrosion resistance developed by the hybrid metal matrix composites when compared with that of matrix alloy. Matrix selected is Al6061. Reinforcements selected are graphite and red mud particulates. The composites are prepared using liquid melt metallurgy technique using vortex method. Metal matrix composites containing 2 percent graphite and 2 percent red mud, 2 percent graphite and 4 percent red mud, 2 percent graphite and 6 percent of red mud are prepared. Bar castings are cut into cylindrical discs of 20mm diameter and 20mm thickness. Corrosion tests were conducted at room temperature (230 °C) using conventional weight loss method according to ASTM G69-80. The corrodents used for the test were hydrochloric acid solution of different concentrations. Specimens were tested for every 24 hours interval up to 96 hours. Four specimens for each condition and time were immersed in corrodent. In each case the corrosion rate decreases with increase in exposure time for matrix and metal matrix composites whatever may be the concentration of hydrochloric acid. This may be due to aluminium, which may induce passivation due to development of non-porous layer. As red mud content increases the composites become corrosion resistant due to insulating nature of ceramic material red mud and less exposure of matrix alloy in those metal matrix composites.

Keywords: Al6061, graphite, passivation, red mud, vortex

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1038 Counteract Heat Stress on Broiler Chicks by Adding Anti-Heat Stress Vitamins (Vitamin C and E) with Organic Zinc

Authors: Omnia Y. Shawky, Asmaa M. Megahed, Alaa E. ElKomy, A. E. Abd-El-Hamid, Y. A. Attia

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This study was carried out to elevate the broilers physiological response against heat stress and reduce this impact by adding vitamin C (VC), vitamin E (VE) alone/or with organic zinc (Zn) to chicks’ rations. A total of 192, 26-day-old Arbor Acers male chicks were randomly divided into equal 8 groups (4 replicates for each). All experimental groups were treated as follow: Group 2 was served as a heat stress control that reared at 37ºC with relative humidity 53 ± 8% for 6 hours/day for three successive days/week and fed the basal diet only. Groups 3-8 were heat stressed in a like manner to group 2 and fed basal diet inclusion 200mg VC (group 3), 200mg VE (group 4), 200mg VC+200mg VE (group 5), 200mg VC+30mg Zn (group 6), 200mg VE+30mg Zn (group 7) and 200mg VC+200mg VE+30mg Zn (group 8) /kg feed, while Group 1 was served as a positive control that reared on a neutral temperature (NT) (approximately 21ºC) and fed the basal diet only. Respiration rate and rectal temperature were boosted of HS chicks (80.8 breath/min and 41.97ºC) compared to NT group (60.12 breath/min and 40.9ºC), while, adding VC alone and with VE or Zn resulted in decrease these measurements. Heat stress had a significantly negative effect on chicks body weight gain, feed consumption and feed conversion ratio compared to the NT group, this harmful effect could be overcome by adding VC and VE individually or with Zn. Chicks exposed to heat stress showed slightly increase hemoglobin concentration compared to NT group, while, adding VC, VE individually or with Zn alleviated this effect. Plasma glucose concentration was significantly increased in HS group than the NT group, but adding VC, VE individually or with Zn resulted in a reduction plasma glucose level, which it was still higher than the NT group. Heat stress caused an increase in plasma total lipids and cholesterol concentration compared to the NT group and inclusion VC or VE alone or with Zn was not able to reduce this effect. The increased liver enzymes activities (AST and ALT) that observed in HS group compared to NT group were removed by adding VC and VE individually or with Zn. As well, exposure of broiler chicks to heat stress resulted in a slightly decrease in plasma total antioxidant capacity level (TAC) superoxide dismutase and catalase enzymes activities, while inclusion VC and VE individually or with Zn in chicks rations caused an increased in these measurements. Broiler chicks that exposed to HS revealed a significant increase in heat shock protein (Hsp 70) compared to the NT group, while, adding VC or VE individually or with Zn resulted in a significant decrease in Hsp70 than the HS group and VE alone or with VC had the greatest effect. In conclusion, it could be overcome the harmful and the negative effect of heat stress on broiler chicks’ productive performance and physiological status by inclusion VC (200mg) or VE (200mg) individual or in a combination with organic zinc (30 mg) in chicks’ rations.

Keywords: heat stress, broiler, vitamin C, vitamin E, organic zinc

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1037 Multi-Scale Modeling of Ti-6Al-4V Mechanical Behavior: Size, Dispersion and Crystallographic Texture of Grains Effects

Authors: Fatna Benmessaoud, Mohammed Cheikh, Vencent Velay, Vanessa Vidal, Farhad Rezai-Aria, Christine Boher

Abstract:

Ti-6Al-4V titanium alloy is one of the most widely used materials in aeronautical and aerospace industries. Because of its high specific strength, good fatigue, and corrosion resistance, this alloy is very suitable for moderate temperature applications. At room temperature, Ti-6Al-4V mechanical behavior is generally controlled by the behavior of alpha phase (beta phase percent is less than 8%). The plastic strain of this phase notably based on crystallographic slip can be hindered by various obstacles and mechanisms (crystal lattice friction, sessile dislocations, strengthening by solute atoms and grain boundaries…). The grains aspect of alpha phase (its morphology and texture) and the nature of its crystallographic lattice (which is hexagonal compact) give to plastic strain heterogeneous, discontinuous and anisotropic characteristics at the local scale. The aim of this work is to develop a multi-scale model for Ti-6Al-4V mechanical behavior using crystal plasticity approach; this multi-scale model is used then to investigate grains size, dispersion of grains size, crystallographic texture and slip systems activation effects on Ti-6Al-4V mechanical behavior under monotone quasi-static loading. Nine representative elementary volume (REV) are built for taking into account the physical elements (grains size, dispersion and crystallographic) mentioned above, then boundary conditions of tension test are applied. Finally, simulation of the mechanical behavior of Ti-6Al-4V and study of slip systems activation in alpha phase is reported. The results show that the macroscopic mechanical behavior of Ti-6Al-4V is strongly linked to the active slip systems family (prismatic, basal or pyramidal). The crystallographic texture determines which family of slip systems can be activated; therefore it gives to the plastic strain a heterogeneous character thus an anisotropic macroscopic mechanical behavior of Ti-6Al-4V alloy modeled. The grains size influences also on mechanical proprieties of Ti-6Al-4V, especially on the yield stress; by decreasing of the grain size, the yield strength increases. Finally, the grains' distribution which characterizes the morphology aspect (homogeneous or heterogeneous) gives to the deformation fields distribution enough heterogeneity because the crystallographic slip is easier in large grains compared to small grains, which generates a localization of plastic deformation in certain areas and a concentration of stresses in others.

Keywords: multi-scale modeling, Ti-6Al-4V alloy, crystal plasticity, grains size, crystallographic texture

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1036 Grey Relational Analysis Coupled with Taguchi Method for Process Parameter Optimization of Friction Stir Welding on 6061 AA

Authors: Eyob Messele Sefene, Atinkut Atinafu Yilma

Abstract:

The highest strength-to-weight ratio criterion has fascinated increasing curiosity in virtually all areas where weight reduction is indispensable. One of the recent advances in manufacturing to achieve this intention endears friction stir welding (FSW). The process is widely used for joining similar and dissimilar non-ferrous materials. In FSW, the mechanical properties of the weld joints are impelled by property-selected process parameters. This paper presents verdicts of optimum process parameters in attempting to attain enhanced mechanical properties of the weld joint. The experiment was conducted on a 5 mm 6061 aluminum alloy sheet. A butt joint configuration was employed. Process parameters, rotational speed, traverse speed or feed rate, axial force, dwell time, tool material and tool profiles were utilized. Process parameters were also optimized, making use of a mixed L18 orthogonal array and the Grey relation analysis method with larger is better quality characteristics. The mechanical properties of the weld joint are examined through the tensile test, hardness test and liquid penetrant test at ambient temperature. ANOVA was conducted in order to investigate the significant process parameters. This research shows that dwell time, rotational speed, tool shape, and traverse speed have become significant, with a joint efficiency of about 82.58%. Nine confirmatory tests are conducted, and the results indicate that the average values of the grey relational grade fall within the 99% confidence interval. Hence the experiment is proven reliable.

Keywords: friction stir welding, optimization, 6061 AA, Taguchi

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1035 Development of Cathode for Hybrid Zinc Ion Supercapacitor Using Secondary Marigold Floral Waste for Green Energy Application

Authors: Syali Pradhan, Neetu Jha

Abstract:

The Marigold flower is used in religious places for offering and decoration purpose every day. The flowers are discarded near trees or in aquatic bodies. This floral waste can be used for extracting dyes or oils. Still the secondary waste remains after processing which need to be addressed. This research aims to provide green and clean power using secondary floral waste available after processing. The carbonization of floral waste produce carbon material with high surface area and enhance active site for more reaction. The Hybrid supercapacitors are more stable, offer improved operating temperature and use less toxic material compared to battery. They provide enhanced energy density compared to supercapacitors. Hence, hybrid supercapacitor designed using waste material would be more practicable for future energy application. Here, we present the utilization of carbonized floral waste as supercapacitor electrode material. This material after carbonization gets graphitized and shows high surface area, optimum porosity along with high conductivity. Hence, this material has been tested as cathode electrode material for high performance zinc storage hybrid supercapacitor. High energy storage along with high stability has been obtained using this cathodic waste material as electrode.

Keywords: marigold, flower waste, energy storage, cathode, supercapacitor

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1034 Electrochemical Treatment and Chemical Analyses of Tannery Wastewater Using Sacrificial Aluminum Electrode, Ethiopia

Authors: Dessie Tibebe, Muluken Asmare, Marye Mulugeta, Yezbie Kassa, Zerubabel Moges, Dereje Yenealem, Tarekegn Fentie, Agmas Amare

Abstract:

The performance of electrocoagulation (EC) using Aluminium electrodes for the treatment of effluent-containing chromium metal using a fixed bed electrochemical batch reactor was studied. In the present work, the efficiency evaluation of EC in removing physicochemical and heavy metals from real industrial tannery wastewater in the Amhara region, collected from Bahirdar, Debre Brihan, and Haik, was investigated. The treated and untreated samples were determined by AAS and ICP OES spectrophotometers. The results indicated that selected heavy metals were removed in all experiments with high removal percentages. The optimal results were obtained regarding both cost and electrocoagulation efficiency with initial pH = 3, initial concentration = 40 mg/L, electrolysis time = 30 min, current density = 40 mA/cm2, and temperature = 25oC favored metal removal. The maximum removal percentages of selected metals obtained were 84.42% for Haik, 92.64% for Bahir Dar and 94.90% for Debre Brihan. The sacrificial electrode and sludge were characterized by FT-IR, SEM and XRD. After treatment, some metals like chromium will be used again as a tanning agent in leather processing to promote a circular economy.

Keywords: electrochemical, treatment, aluminum, tannery effluent

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1033 Effect of Cadmium and Zinc on Initial Insect Food Chain in Wheat Agroecosystem

Authors: Muhammad Xaaceph Khan, Abida Butt, Farah Kausar

Abstract:

Due to geogenic and anthropogenic factors, heavy metals concentrations increased throughout the world and deposit into soil. Thus available to different plants and travel in different food chains. The present study was designed to achieve bioaccumulation of Cd and Zn in the wheat-aphid-beetle food chain. For this purpose, wheat plants were grown in three different treatments: Cd, Zn, Cd+Zn. Data showed that Cd content in soil and wheat plant increases with increase in Cd concentration while plant weighs, panicle weight, seed number per panicle and seed weight per panicle decreases with increase in Cd content in the soil. Zn content in soil and wheat plant increases with increase in Cd concentration while plant weighs, panicle weight, seed number per panicle, and seed weight per panicle increase with an increase in Zn content in the soil. With the addition of Zn in Cd-treated soil, the uptake of Cd decreases in all parts of wheat plants. Bioaccumulation from wheat plant to aphids and then its predators were also studied. Cd concentration increases from low to high concentration in all arthropods. Same was observed in Zn concentrations, while in Cd+Zn, Cd accumulation decreases but Zn accumulates increases. Health risk index (HRI) also showed that in the presence of Zn, the HRI improves and can help to reduce health risks associated with Cd.

Keywords: aphid, beetle, bioaccumulation, cadmium, wheat, zinc

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1032 Application of Mobile Aluminium Light Structure Housing System in Sustainable Building Process

Authors: Wang Haining, Zhang Hong

Abstract:

In China, rapid urbanization needs more and more buildings constructed for the growing population in cities. With the help of the methodology which contains investigation, contrastive analysis, design based on component with BIM and experiment before real construction, this research based on mobile light structure system, trying to the sustainable problems partly in present China by systematic study. The system cannot replace the permanent heavy structure completely. So the goal is the improvement of the whole building system by the addition of light structure. This house system uses modularized envelopes and standardized connections, which are pre-fabricated and assembled in factories and transported like containers. Aluminum is used as the structural material in this system, and inorganic thermal insulation material used in the envelope, which have high fireproof properties. The relationship between manufactory and construction of the system is progressive hierarchy. They exist as First Industrial, Second Industrial, Third Industrial and Site Assembly Stage. It could maximize the land usage capacity by fully exploit the area where normal permanent architecture can't take advantage of. Not only the building system itself especially the thermal isolated materials used and active solar photovoltaic system equipped can save energy, but also the way of product development is sustainable.

Keywords: aluminum house, light Structure, rapid assembly, repeat construction

Procedia PDF Downloads 479
1031 Diamond-Like Carbon-Based Structures as Functional Layers on Shape-Memory Alloy for Orthopedic Applications

Authors: Piotr Jablonski, Krzysztof Mars, Wiktor Niemiec, Agnieszka Kyziol, Marek Hebda, Halina Krawiec, Karol Kyziol

Abstract:

NiTi alloys, possessing unique mechanical properties such as pseudoelasticity and shape memory effect (SME), are suitable for many applications, including implanthology and biomedical devices. Additionally, these alloys have similar values of elastic modulus to those of human bones, what is very important in orthopedics. Unfortunately, the environment of physiological fluids in vivo causes unfavorable release of Ni ions, which in turn may lead to metalosis as well as allergic reactions and toxic effects in the body. For these reasons, the surface properties of NiTi alloys should be improved to increase corrosion resistance, taking into account biological properties, i.e. excellent biocompatibility. The prospective in this respect are layers based on DLC (Diamond-Like Carbon) structures, which are an attractive solution for many applications in implanthology. These coatings (DLC), usually obtained by PVD (Physical Vapour Deposition) and PA CVD (Plasma Activated Chemical Vapour Deposition) methods, can be also modified by doping with other elements like silicon, nitrogen, oxygen, fluorine, titanium and silver. These methods, in combination with a suitably designed structure of the layers, allow the possibility co-decide about physicochemical and biological properties of modified surfaces. Mentioned techniques provide specific physicochemical properties of substrates surface in a single technological process. In this work, the following types of layers based on DLC structures (incl. Si-DLC or Si/N-DLC) were proposed as prospective and attractive approach in surface functionalization of shape memory alloy. Nitinol substrates were modified in plasma conditions, using RF CVD (Radio Frequency Chemical Vapour Deposition). The influence of plasma treatment on the useful properties of modified substrates after deposition DLC layers doped with silica and/or nitrogen atoms, as well as only pre-treated in O2 NH3 plasma atmosphere in a RF reactor was determined. The microstructure and topography of the modified surfaces were characterized using scanning electron microscopy (SEM) and atomic force microscopy (AFM). Furthermore, the atomic structure of coatings was characterized by IR and Raman spectroscopy. The research also included the evaluation of surface wettability, surface energy as well as the characteristics of selected mechanical and biological properties of the layers. In addition, the corrosion properties of alloys after and before modification in the physiological saline were also investigated. In order to determine the corrosion resistance of NiTi in the Ringer solution, the potentiodynamic polarization curves (LSV – Linear Sweep Voltamperometry) were plotted. Furthermore, the evolution of corrosion potential versus immersion time of TiNi alloy in Ringer solution was performed. Based on all carried out research, the usefullness of proposed modifications of nitinol for medical applications was assessed. It was shown, inter alia, that the obtained Si-DLC layers on the surface of NiTi alloy exhibit a characteristic complex microstructure, increased surface development, which is an important aspect in improving the osteointegration of an implant. Furthermore, the modified alloy exhibits biocompatibility, the transfer of the metal (Ni, Ti) to Ringer’s solution is clearly limited.

Keywords: bioactive coatings, corrosion resistance, doped DLC structure, NiTi alloy, RF CVD

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1030 Micro-Cantilever Tests on Hydride Blister and Zirconium Matrix of Zircaloy-4 Cladding Tube

Authors: Ho-A Kim, Jae-Soo Noh

Abstract:

During reactor operation, hydride blister can occur in spent nuclear fuel (SNF) claddings, and it could worsen the integrity of the claddings locally. Hydride blister can be critical when a pinch-type load is applied in the process of SNF handling and transportation. Micro-cantilever tests were performed to evaluate the risk of local hydride blister by comparing the fracture toughness of local hydride blister and pre-hydrided Zr alloy matrix of SNF cladding on a microscale. Hydride blister was generated by a gaseous charging procedure to simulate an SNF cladding. Micro-cantilevers and pre-cracks were ion-milled with the Ga+ ion beam of FEI Helios 600 at 30kV acceleration voltage. Micro-cantilever tests were conducted using PI 85 pico-indenter (HYSTRON) with for sided conductive diamond flat tip (1 μm x 1 μm) at a speed of 5 nm/sec. The results show that the hydride blister specimen could be fractured in the elastic deformation region, and the fracture toughness of the hydride blister specimen could drop up to 60% of that of the pre-hydrided Zr alloy matrix. Therefore, local hydride blister can degrade the integrity of SNF cladding, and the effect of hydride blister should be taken into account when evaluating failure criteria of claddings during handling, storage, and transportation of SNF.

Keywords: fracture toughness, hydride blister, micro-cantilever test, spent nuclear fuel cladding.

Procedia PDF Downloads 129
1029 Hot-Dip Galvanizing as a Barrier Protection Coating for Steel Hydraulic Structures

Authors: Farrokh Taherkhani, Thomas Pinger, Max Gündel

Abstract:

The total economic damage caused by corrosion in Germany is estimated to be more than 3% of the GDP per year. Additionally, corrosion and suitable corrosion protection systems are also significant factors in the consideration of life cycle costs for steel hydraulic structures. In addition to classic coating systems (for example, epoxy resin or polyurethane), zinc and its alloys offer effective and very durable corrosion protection for steels. As a protective layer, hot-dip galvanizing prevents the corrosive media from penetrating into the steel matrix and acts as a sacrificial anode, which corrodes in preference to the steel. However, hot-dip galvanizing as a corrosion protection system has not yet been approved by the relevant authority, the Federal Waterways Engineering and Research Institute (BAW) in Germany. In order to make hot-dip galvanizing usable as a corrosion protection system for steel hydraulic structures in the future, different factors must be considered. These factors are (i) corrosion protection type, (ii) resistance to mechanical stress (i.e., abrasion resistance), (iii) combinability with cathodic corrosion protection, (iv) environmental effects and (v) the crack formation and propagation during hot-dip galvanizing. In this work, hot-dip galvanizing as a corrosion protection system for steel hydraulic steel structures, as well as open questions, are discussed. This paper is based on initial long-term exposure tests with corrosion protection systems consisting of hot-dip galvanizing and duplex systems.

Keywords: steel hydraulic structure, hot-dip galvanizing, corrosion, corrosion resistance, zinc coating, organic coating, duplex sytems

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1028 Superior Wear Performance of CoCrNi Matrix Composite Reinforced with Quasi-Continuously Networked Graphene Nanosheets and In-Situ Carbide

Authors: Wenting Ye

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The biological materials evolved in nature generally exhibit interpenetrating network structures, which may offer useful inspiration for the architectural design of wear-resistant composites. Here, a strategy for designing self-lubricating medium entropy alloy (MEA) composites with high strength and excellent anti-wear performance was proposed through quasi-continuously networked in-situ carbides and graphene nanosheets. The discontinuous coating of graphene on the MEA powder surface inhibits continuous metallurgy bonding of the MEA powders during sintering, generating the typical quasi-continuously networked architecture. A good combination of mechanical properties with high fracture strength over 2 GPa and large compressive plasticity over 30% benefits from metallurgy bonding that prevents crack initiation and extension. The wear rate of an order of 10-6 m3N-1m-1 ascribing to an amorphous-crystalline nanocomposite surface, tribo-film induced by graphene, as well as the gradient worn subsurface during friction was achieved by the MEA composite, which is an order of magnitude lower than the unreinforced MEA matrix.

Keywords: in-situ carbide, tribological behavior, medium entropy alloy matrix composite, graphene

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1027 Technique for Online Condition Monitoring of Surge Arresters

Authors: Anil S. Khopkar, Kartik S. Pandya

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Overvoltage in power systems is a phenomenon that cannot be avoided. However, it can be controlled to a certain extent. Power system equipment is to be protected against overvoltage to avoid system failure. Metal Oxide Surge Arresters (MOSA) are connected to the system for the protection of the power system against overvoltages. The MOSA will behave as an insulator under normal working conditions, where it offers a conductive path under voltage conditions. MOSA consists of zinc oxide elements (ZnO Blocks), which have non-linear V-I characteristics. ZnO blocks are connected in series and fitted in ceramic or polymer housing. This degrades due to the aging effect under continuous operation. Degradation of zinc oxide elements increases the leakage current flowing from the surge arresters. This Increased leakage current results in the increased temperature of the surge arrester, which further decreases the resistance of zinc oxide elements. As a result, leakage current increases, which again increases the temperature of a MOSA. This creates thermal runaway conditions for MOSA. Once it reaches the thermal runaway condition, it cannot return to normal working conditions. This condition is a primary cause of premature failure of surge arresters, as MOSA constitutes a core protective device for electrical power systems against transients. It contributes significantly to the reliable operation of the power system network. Hence, the condition monitoring of surge arresters should be done at periodic intervals. Online and Offline condition monitoring techniques are available for surge arresters. Offline condition monitoring techniques are not very popular as they require removing surge arresters from the system, which requires system shutdown. Hence, online condition monitoring techniques are very popular. This paper presents the evaluation technique for the surge arrester condition based on the leakage current analysis. Maximum amplitude of total leakage current (IT), Maximum amplitude of fundamental resistive leakage current (IR) and maximum amplitude of third harmonic resistive leakage current (I3rd) have been analyzed as indicators for surge arrester condition monitoring.

Keywords: metal oxide surge arrester (MOSA), over voltage, total leakage current, resistive leakage current

Procedia PDF Downloads 56
1026 Modeling of Anode Catalyst against CO in Fuel Cell Using Material Informatics

Authors: M. Khorshed Alam, H. Takaba

Abstract:

The catalytic properties of metal usually change by intermixturing with another metal in polymer electrolyte fuel cells. Pt-Ru alloy is one of the much-talked used alloy to enhance the CO oxidation. In this work, we have investigated the CO coverage on the Pt2Ru3 nanoparticle with different atomic conformation of Pt and Ru using a combination of material informatics with computational chemistry. Density functional theory (DFT) calculations used to describe the adsorption strength of CO and H with different conformation of Pt Ru ratio in the Pt2Ru3 slab surface. Then through the Monte Carlo (MC) simulations we examined the segregation behaviour of Pt as a function of surface atom ratio, subsurface atom ratio, particle size of the Pt2Ru3 nanoparticle. We have constructed a regression equation so as to reproduce the results of DFT only from the structural descriptors. Descriptors were selected for the regression equation; xa-b indicates the number of bonds between targeted atom a and neighboring atom b in the same layer (a,b = Pt or Ru). Terms of xa-H2 and xa-CO represent the number of atoms a binding H2 and CO molecules, respectively. xa-S is the number of atom a on the surface. xa-b- is the number of bonds between atom a and neighboring atom b located outside the layer. The surface segregation in the alloying nanoparticles is influenced by their component elements, composition, crystal lattice, shape, size, nature of the adsorbents and its pressure, temperature etc. Simulations were performed on different size (2.0 nm, 3.0 nm) of nanoparticle that were mixing of Pt and Ru atoms in different conformation considering of temperature range 333K. In addition to the Pt2Ru3 alloy we also considered pure Pt and Ru nanoparticle to make comparison of surface coverage by adsorbates (H2, CO). Hence, we assumed the pure and Pt-Ru alloy nanoparticles have an fcc crystal structures as well as a cubo-octahedron shape, which is bounded by (111) and (100) facets. Simulations were performed up to 50 million MC steps. From the results of MC, in the presence of gases (H2, CO), the surfaces are occupied by the gas molecules. In the equilibrium structure the coverage of H and CO as a function of the nature of surface atoms. In the initial structure, the Pt/Ru ratios on the surfaces for different cluster sizes were in range of 0.50 - 0.95. MC simulation was employed when the partial pressure of H2 (PH2) and CO (PCO) were 70 kPa and 100-500 ppm, respectively. The Pt/Ru ratios decrease as the increase in the CO concentration, without little exception only for small nanoparticle. The adsorption strength of CO on the Ru site is higher than the Pt site that would be one of the reason for decreasing the Pt/Ru ratio on the surface. Therefore, our study identifies that controlling the nanoparticle size, composition, conformation of alloying atoms, concentration and chemical potential of adsorbates have impact on the steadiness of nanoparticle alloys which ultimately and also overall catalytic performance during the operations.

Keywords: anode catalysts, fuel cells, material informatics, Monte Carlo

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1025 Theoretical Study of Structural Parameters, Chemical Reactivity and Spectral and Thermodynamical Properties of Organometallic Complexes Containing Zinc, Nickel and Cadmium with Nitrilotriacetic Acid and Tea Ligands: Density Functional Theory Investigation

Authors: Nour El Houda Bensiradj, Nafila Zouaghi, Taha Bensiradj

Abstract:

The pollution of water resources is characterized by the presence of microorganisms, chemicals, or industrial waste. Generally, this waste generates effluents containing large quantities of heavy metals, making the water unsuitable for consumption and causing the death of aquatic life and associated biodiversity. Currently, it is very important to assess the impact of heavy metals in water pollution as well as the processes for treating and reducing them. Among the methods of water treatment and disinfection, we mention the complexation of metal ions using ligands which serve to precipitate and subsequently eliminate these ions. In this context, we are interested in the study of complexes containing heavy metals such as zinc, nickel, and cadmium, which are present in several industrial discharges and are discharged into water sources. We will use the ligands of triethanolamine (TEA) and nitrilotriacetic acid (NTA). The theoretical study is based on molecular modeling, using the density functional theory (DFT) implemented in the Gaussian 09 program. The geometric and energetic properties of the above complexes will be calculated. Spectral properties such as infrared, as well as reactivity descriptors, and thermodynamic properties such as enthalpy and free enthalpy will also be determined.

Keywords: heavy metals, NTA, TEA, DFT, IR, reactivity descriptors

Procedia PDF Downloads 91