Search results for: mechanism properties
10672 Study of the Nonlinear Optic Properties of Thin Films of Europium Doped Zinc Oxide
Authors: Ali Ballouch, Nourelhouda Choukri, Zouhair Soufiani, Mohamed El Jouad, Mohamed Addou
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For several years, significant research has been developed in the areas of applications of semiconductor wide bandgap such as ZnO in optoelectronics. This oxide has the advantage of having a large exciton energy (60 meV) three times higher than that of GaN (21 meV) or ZnS (20 meV). This energy makes zinc oxide resistant for laser irradiations and very interesting for the near UV-visible optic, as well as for studying physical microcavities. A high-energy direct gap at room temperature (Eg > 1 eV) which makes it a potential candidate for emitting devices in the near UV and visible. Our work is to study the nonlinear optical properties, mainly the nonlinear third-order susceptibility of europium doped Zinc oxide thin films. The samples were prepared by chemical vapor spray method (Spray), XRD, SEM technique, THG were used for characterization. In this context, the influence of europium doping on the nonlinear optical response of the Zinc oxide was investigated. The nonlinear third-order properties depend on the physico-chemical parameters (crystallinity, strain, and surface roughness), the nature and the level of doping, temperature.Keywords: ZnO, characterization, non-linear optical properties, optoelectronics
Procedia PDF Downloads 48210671 The Design Optimization for Sound Absorption Material of Multi-Layer Structure
Authors: Un-Hwan Park, Jun-Hyeok Heo, In-Sung Lee, Tae-Hyeon Oh, Dae-Kyu Park
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Sound absorbing material is used as automotive interior material. Sound absorption coefficient should be predicted to design it. But it is difficult to predict sound absorbing coefficient because it is comprised of several material layers. So, its targets are achieved through many experimental tunings. It causes a lot of cost and time. In this paper, we propose the process to estimate the sound absorption coefficient with multi-layer structure. In order to estimate the coefficient, physical properties of each material are used. These properties also use predicted values by Foam-X software using the sound absorption coefficient data measured by impedance tube. Since there are many physical properties and the measurement equipment is expensive, the values predicted by software are used. Through the measurement of the sound absorption coefficient of each material, its physical properties are calculated inversely. The properties of each material are used to calculate the sound absorption coefficient of the multi-layer material. Since the absorption coefficient of multi-layer can be calculated, optimization design is possible through simulation. Then, we will compare and analyze the calculated sound absorption coefficient with the data measured by scaled reverberation chamber and impedance tubes for a prototype. If this method is used when developing automotive interior materials with multi-layer structure, the development effort can be reduced because it can be optimized by simulation. So, cost and time can be saved.Keywords: sound absorption material, sound impedance tube, sound absorption coefficient, optimization design
Procedia PDF Downloads 28810670 The Effect of CaO Addition on Mechanical Properties of Ceramic Tiles
Authors: Lucie Vodova, Radomir Sokolar, Jitka Hroudova
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Stoneware clay, fired clay (as a grog), calcite waste and class C fly ash in various mixing rations were the basic raw materials for the mixture for production of dry pressed ceramic tiles. Mechanical properties (water absorption, bulk density, apparent porosity, flexural strength) as well as mineralogical composition were studied on samples with different source of calcium oxide after firing at 900, 1000, 1100 and 1200°C. It was found that samples with addition of calcite waste contain dmisteinbergit and anorthite. This minerals help to improve the strength of the body and reduce porosity fired at lower temperatures. Class C fly ash has not significantly influence on properties of the fired body as calcite waste.Keywords: ceramic tiles, class C fly ash, calcite waste, calcium oxide, anorthite
Procedia PDF Downloads 24510669 Minimum Pension Guarantee in Funded Pension Schemes: Theoretical Model and Global Implementation
Authors: Ishay Wolf
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In this study, the financial position of pension actors in the market during the pension system transition toward a more funded capitalized scheme is explored, mainly via an option benefit model. This is enabled by not considering the economy as a single earning cohort. We analytically demonstrate a socio-economic anomaly in the funded pension system, which is in favor of high earning cohorts on at the expense of low earning cohorts. This anomaly is realized by a lack of insurance and exposure to financial and systemic risks. Furthermore, the anomaly might lead to pension re-reform back to unfunded scheme, mostly due to political pressure. We find that a minimum pension guarantee is a rebalance mechanism to this anomaly, which increases the probability to of the sustainable pension scheme. Specifically, we argue that implementing the guarantee with an intra-generational, risk-sharing mechanism is the most efficient way to reduce the effect of this abnormality. Moreover, we exhibit the convergence process toward implementing minimum pension guarantee in many countries which have capitalized their pension systems during the last three decades, particularly among Latin America and CEE countries.Keywords: benefits, pension scheme, put option, social security
Procedia PDF Downloads 12210668 Mechanical, Thermal and Biodegradable Properties of Bioplast-Spruce Green Wood Polymer Composites
Authors: A. Atli, K. Candelier, J. Alteyrac
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Environmental and sustainability concerns push the industries to manufacture alternative materials having less environmental impact. The Wood Plastic Composites (WPCs) produced by blending the biopolymers and natural fillers permit not only to tailor the desired properties of materials but also are the solution to meet the environmental and sustainability requirements. This work presents the elaboration and characterization of the fully green WPCs prepared by blending a biopolymer, BIOPLAST® GS 2189 and spruce sawdust used as filler with different amounts. Since both components are bio-based, the resulting material is entirely environmentally friendly. The mechanical, thermal, structural properties of these WPCs were characterized by different analytical methods like tensile, flexural and impact tests, Thermogravimetric Analysis (TGA), Differential Scanning Calorimetry (DSC) and X-ray Diffraction (XRD). Their water absorption properties and resistance to the termite and fungal attacks were determined in relation with different wood filler content. The tensile and flexural moduli of WPCs increased with increasing amount of wood fillers into the biopolymer, but WPCs became more brittle compared to the neat polymer. Incorporation of spruce sawdust modified the thermal properties of polymer: The degradation, cold crystallization, and melting temperatures shifted to higher temperatures when spruce sawdust was added into polymer. The termite, fungal and water absorption resistance of WPCs decreased with increasing wood amount in WPCs, but remained in durability class 1 (durable) concerning fungal resistance and quoted 1 (attempted attack) in visual rating regarding to the termites resistance except that the WPC with the highest wood content (30 wt%) rated 2 (slight attack) indicating a long term durability. All the results showed the possibility to elaborate the easy injectable composite materials with adjustable properties by incorporation of BIOPLAST® GS 2189 and spruce sawdust. Therefore, lightweight WPCs allow both to recycle wood industry byproducts and to produce a full ecologic material.Keywords: biodegradability, color measurements, durability, mechanical properties, melt flow index, MFI, structural properties, thermal properties, wood-plastic composites, WPCs
Procedia PDF Downloads 13710667 Identification of High Stress Regions in Proximal Femur During Single-Leg Stance and Sideways Fall Using QCT-Based Finite Element Model
Authors: Hossein Kheirollahi, Yunhua Luo
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Studying stress and strain trends in the femur and recognizing femur failure mechanism is very important for preventing hip fracture in the elderly. The aim of this study was to identify high stress and strain regions in the femur during normal walking and falling to find the mechanical behavior and failure mechanism of the femur. We developed a finite element model of the femur from the subject’s quantitative computed tomography (QCT) image and used it to identify potentially high stress and strain regions during the single-leg stance and the sideways fall. It was found that fracture may initiate from the superior region of femoral neck and propagate to the inferior region during a high impact force such as sideways fall. The results of this study showed that the femur bone is more sensitive to strain than stress which indicates the effect of strain, in addition to effect of stress, should be considered for failure analysis.Keywords: finite element analysis, hip fracture, strain, stress
Procedia PDF Downloads 50410666 Physical Properties of Crushed Aggregates in Some Selected Quarries in Kwara State, Nigeria
Authors: S. A. Agbalajobi, W. A. Bello
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This study examines rock properties of crushed aggregate in some selected quarries in Kwara state, Nigeria. Some physical properties (chemical composition, mineral composition, particle size distribution) of gneiss sample were determined using ISRM standards. The physicomechanical properties (specific gravity, dry density, porosity, water absorption, point load index, tensile, and compressive strength) of the gneiss rock were evaluated. The analysis on the gneiss samples revealed the mean dry density and the unit weight are 2.52 g/m3, 2.63 g/m3, 2.38 g/m3; and 24.1 kN/m3, 25.78 kN/m3, 23.33 kN/m3, respectively (for locations A,B,C). The water absorption level of the gneiss rock sample ranged from 0.38 % – 0.57 % for the three locations. The mean Schmidt hammer rebound value ranged from 51.0 – 52.4 for the three locations and mean point load index values ranged from 9.89 – 10.56 MPa classified as very high strength while the uniaxial compressive strength of the rock samples revealed that its strength ranged from 120 - 139 MPa (for location A, B, and C) classified as strong rock. The aggregate impact value test and aggregate crushing value test conducted on the gneiss aggregates from the three locations in accordance with British Standard. The gneiss sample from the three locations (A, B, and C) is a good material for the production of construction works such as concrete, bricks, pavement, embankment among others, the compressive strength of the material is within the accepted limit.Keywords: gneiss, aggregate impact, aggregate crushing, physic-mechanical properties, rock hardness
Procedia PDF Downloads 30810665 Effectiveness of Essential Oils as Inhibitors of Quorum Sensing Activity Using Biomonitor Strain Chromobacterium Violaceum
Authors: Ivana Cabarkapa, Zorica Tomicic, Olivera Duragic
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Antimicrobial resistance represents one of the major challenges facing humanity in the last decades. Increasing antibiotic-resistant pathogens indicates the need for the development of alternative antibacterial drugs and new treatment strategies. One of the innovative emerging treatments in overcoming multidrug-resistant pathogens certainly represents the inhibition anti-quorum sensing system. For most of the food-borne pathogens, the expression of the virulence depends on their capability communication with other members of the population by means of quorum sensing (QS). QS represents a specific way of bacterial intercellular communication, which enabled owing to their ability to detect and to respond to cell population density by gene regulation. QS mechanisms are responsible for controls the pathogenesis, virulence luminescence, motility, sporulation and biofilm formation of many organisms by regulating gene expression. Therefore, research in this field is being an attractive target for the development of new natural antibacterial agents. Anti-QS compounds are known to have the ability to prohibit bacterial pathogenicity. Considering the importance of quorum sensing during bacterial pathogenesis, this research has been focused on evaluation anti - QS properties of four essential oils (EOs) Origanum heracleoticum, Origanum vulgare, Thymus vulgare, and Thymus serpyllum, using biomonitor strain of Chromobacterium violaceum CV026. Tests conducted on Luria Bertani agar supplemented with N hexanol DL homoserine lacton (HHL) 10µl/50ml of agar. The anti-QS potential of the EOs was assayed in a range of concentrations of 200 – 0.39 µl/ml using the disc diffusion method. EOs of Th. vulgaris and T. serpyllum were exhibited anti-QS activity indicated by a non- pigmented ring with a dilution-dependent manner. The lowest dilution of EOs T. vulgaris and T. serpyllum in which they exhibited visually detectable inhibition of violacein synthesis was 6.25 µl/ml for both tested EOs. EOs of O. heracleoticum and O. vulgare were displayed different active principles, i.e., antimicrobial activity indicated by the inner clear ring and anti-QS activity indicated by the outer non-pigmented ring, in a concentration-dependent manner. The lowest dilution of EOs of O. heracleoticum and O. vulgare in which exhibited visually detectable inhibition of violacein synthesis was 1.56 and 3.25 µl/ml, respectively. Considering that, the main constituents of the tested EOs represented by monoterpenes (carvacrol, thymol, γ-terpinene, and p-cymene), anti - QS properties of tested EOs can be mainly attributed to their activity. In particular, from the scientific literature, carvacrol and thymol show a sub-inhibitory effect against foodborne pathogens. Previous studies indicated that sub-lethal concentrations of carvacrol reduced the mobility of bacteria due to the ability of interference using QS mechanism between the bacterial cells, and thereby reducing the ability of biofilm formation The precise mechanism by which carvacrol inhibits biofilm formation is still not fully understood. Our results indicated that EOs displayed different active principles, i.e., antimicrobial activity indicated by the inner clear ring and anti-QS activity indicated by an outer non- pigmented ring with visually detectable inhibition of violacein. Preliminary results suggest that EOs represent a promising alternative for effective control of the emergence and spread of resistant pathogens.Keywords: anti-quorum sensing activity, Chromobacterium violaceum, essential oils, violacein
Procedia PDF Downloads 13710664 Uncertainty Quantification of Fuel Compositions on Premixed Bio-Syngas Combustion at High-Pressure
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Effect of fuel variabilities on premixed combustion of bio-syngas mixtures is of great importance in bio-syngas utilisation. The uncertainties of concentrations of fuel constituents such as H2, CO and CH4 may lead to unpredictable combustion performances, combustion instabilities and hot spots which may deteriorate and damage the combustion hardware. Numerical modelling and simulations can assist in understanding the behaviour of bio-syngas combustion with pre-defined species concentrations, while the evaluation of variabilities of concentrations is expensive. To be more specific, questions such as ‘what is the burning velocity of bio-syngas at specific equivalence ratio?’ have been answered either experimentally or numerically, while questions such as ‘what is the likelihood of burning velocity when precise concentrations of bio-syngas compositions are unknown, but the concentration ranges are pre-described?’ have not yet been answered. Uncertainty quantification (UQ) methods can be used to tackle such questions and assess the effects of fuel compositions. An efficient probabilistic UQ method based on Polynomial Chaos Expansion (PCE) techniques is employed in this study. The method relies on representing random variables (combustion performances) with orthogonal polynomials such as Legendre or Gaussian polynomials. The constructed PCE via Galerkin Projection provides easy access to global sensitivities such as main, joint and total Sobol indices. In this study, impacts of fuel compositions on combustion (adiabatic flame temperature and laminar flame speed) of bio-syngas fuel mixtures are presented invoking this PCE technique at several equivalence ratios. High-pressure effects on bio-syngas combustion instability are obtained using detailed chemical mechanism - the San Diego Mechanism. Guidance on reducing combustion instability from upstream biomass gasification process is provided by quantifying the significant contributions of composition variations to variance of physicochemical properties of bio-syngas combustion. It was found that flame speed is very sensitive to hydrogen variability in bio-syngas, and reducing hydrogen uncertainty from upstream biomass gasification processes can greatly reduce bio-syngas combustion instability. Variation of methane concentration, although thought to be important, has limited impacts on laminar flame instabilities especially for lean combustion. Further studies on the UQ of percentage concentration of hydrogen in bio-syngas can be conducted to guide the safer use of bio-syngas.Keywords: bio-syngas combustion, clean energy utilisation, fuel variability, PCE, targeted uncertainty reduction, uncertainty quantification
Procedia PDF Downloads 27510663 An Exploratory Study on 'Sub-Region Life Circle' in Chinese Big Cities Based on Human High-Probability Daily Activity: Characteristic and Formation Mechanism as a Case of Wuhan
Authors: Zhuoran Shan, Li Wan, Xianchun Zhang
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With an increasing trend of regionalization and polycentricity in Chinese contemporary big cities, “sub-region life circle” turns to be an effective method on rational organization of urban function and spatial structure. By the method of questionnaire, network big data, route inversion on internet map, GIS spatial analysis and logistic regression, this article makes research on characteristic and formation mechanism of “sub-region life circle” based on human high-probability daily activity in Chinese big cities. Firstly, it shows that “sub-region life circle” has been a new general spatial sphere of residents' high-probability daily activity and mobility in China. Unlike the former analysis of the whole metropolitan or the micro community, “sub-region life circle” has its own characteristic on geographical sphere, functional element, spatial morphology and land distribution. Secondly, according to the analysis result with Binary Logistic Regression Model, the research also shows that seven factors including land-use mixed degree and bus station density impact the formation of “sub-region life circle” most, and then analyzes the index critical value of each factor. Finally, to establish a smarter “sub-region life circle”, this paper indicates that several strategies including jobs-housing fit, service cohesion and space reconstruction are the keys for its spatial organization optimization. This study expands the further understanding of cities' inner sub-region spatial structure based on human daily activity, and contributes to the theory of “life circle” in urban's meso-scale.Keywords: sub-region life circle, characteristic, formation mechanism, human activity, spatial structure
Procedia PDF Downloads 30010662 Studies on the Physicochemical Properties of Biolubricants Obtained from Vegetable Oils and Their Oxidative Stability
Authors: Expedito J. S. Parente Jr., Italo C. Rios, Joao Paulo C. Marques, Rosana M. A. Saboya, F. Murilo T. Luna, Célio L. Cavalcante Jr.
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Increasing constraints of environmental regulation around the world have led to higher demand for biodegradable products. Vegetable oils present some properties that may favor their use as biolubricants; however, there are others, such as resistance to oxidation and pour point, which affect possible commercial applications. In this study, the physicochemical properties of biolubricants synthesized from different vegetable oils were evaluated and compared with petroleum-based lubricant and pure vegetable oil. Chemical modifications applied to the original vegetable oil improved their oxidative stability and pour point significantly. The addition of commercial antioxidants to the bio-based lubricants was evaluated, yielding values of oxidative stability close to those of mineral basestock oil.Keywords: biolubricant, vegetable oil, oxidative stability, pour point, antioxidants
Procedia PDF Downloads 31210661 Decoration of Multi-Walled Carbon Nanotubes by CdS Nanoparticles Using Magnetron Sputtering Method
Authors: Z. Ghorannevis, E. Akbarnejad, B. Aghazadeh, M. Ghoranneviss
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Carbon nanotubes (CNTs) modified with semiconductor nanocrystalline particles may find wide applications due to their unique properties. Here Cadmium Sulfide (CdS) nanoparticles were successfully grown on Multi-Walled Carbon Nanotubes (MWNTs) via a magnetron sputtering method for the first time. The CdS/MWNTs sample was characterized with X-ray diffraction (XRD), Field Emission Scanning and High Resolution Transmission Electron Microscopies (SEM/TEM) and four point probe. The obtained images show clearly the decoration of the MWNTs by the CdS nanoparticles, and the XRD measurements indicate the CdS structure as hexagonal type. Moreover, the physical properties of the CdS/MWNTs were compared with the physical properties of the CdS nanoparticles grown on the silicon. Electrical measurements of CdS and CdS/MWNTs reveal that CdS/MWNTs has lower resistivity than the CdS sample which may be due to the higher carrier concentrations.Keywords: CdS, MWNTs, HRTEM, magnetron sputtering
Procedia PDF Downloads 40510660 Microstructure and Oxidation Behaviors of Al, Y Modified Silicide Coatings Prepared on an Nb-Si Based Ultrahigh Temperature Alloy
Authors: Xiping Guo, Jing Li
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The microstructure of an Si-Al-Y co-deposition coating prepared on an Nb-Si based ultra high temperature alloy by pack cementation process at 1250°C for eight hours was studied. The results showed that the coating was composed of a (Nb,X)Si₂ (X represents Ti, Cr and Hf elements) outer layer, a (Ti,Nb)₅Si₄ middle layer and an Al, Cr-rich inner layer. For comparison, the oxidation behaviors of the coating at 800, 1050 and 1350°C were investigated respectively. Linear oxidation kinetics was found with the parabolic rate constants of 5.29×10⁻², 9×10⁻²and 5.81 mg² cm⁻⁴ h⁻¹, respectively. Catastrophic pesting oxidation has not been found at 800°C even for 100 h. The surface of the scale was covered by compact glassy SiO₂ film. The coating was able to effectively protect the Nb-Si based alloy from oxidation at 1350°C for at least 100 h. The formation process of the scale was testified following an epitaxial growth mechanism. The mechanism responsible for the oxidation behavior of the Si-Al-Y co-deposition coating at 800, 1050 and 1350°C was proposed.Keywords: Nb-Si based ultra high temperature alloy, oxidation resistance, pack cementation, silicide coating, Al and Y modified
Procedia PDF Downloads 40410659 Gamma Irradiation Effect on Structural and Optical Properties of Bismuth-Boro-Tellurite Glasses
Authors: Azuraida Amat, Halimah Mohamed Kamari, Che Azurahanim Che Abdullah, Ishak Mansor
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The changes of the optical and structural properties of Bismuth-Boro-Tellurite glasses pre and post gamma irradiation were studied. Six glass samples, with different compositions [(TeO2)0.7 (B2O3)0.3]1-x (Bi2O3)x prepared by melt quenching method were irradiated with 25kGy gamma radiation at room temperature. The Fourier Transform Infrared Spectroscopy (FTIR) was used to explore the structural bonding in the prepared glass samples due to exposure, while UV-VIS Spectrophotometer was used to evaluate the changes in the optical properties before and after irradiation. Gamma irradiation causes a profound changes in the peak intensity as shown by FTIR spectra which is due to the breaking of the network bonding. Before gamma irradiation, the optical band gap, Eg value decreased from 2.44 eV to 2.15 eV with the addition of Bismuth content. The value kept decreasing (from 2.18 eV to 2.00 eV) following exposure to gamma radiation due to the increase of non-bridging oxygen (NBO) and the increase of defects in the glass. In conclusion, the glass with high content of Bi2O3 (0.30Bi) give the smallest Eg and show less changes in FTIR spectra after gamma irradiation, which indicate that this glass is more resistant to gamma radiation compared to other glasses.Keywords: boro-tellurite, bismuth, gamma radiation, optical properties
Procedia PDF Downloads 42710658 Determination of Selected Engineering Properties of Giant Palm Seeds (Borassus Aethiopum) in Relation to Its Oil Potential
Authors: Rasheed Amao Busari, Ahmed Ibrahim
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The engineering properties of giant palms are crucial for the reasonable design of the processing and handling systems. The research was conducted to investigate some engineering properties of giant palm seeds in relation to their oil potential. The ripe giant palm fruit was sourced from some parts of Zaria in Kaduna State and Ado Ekiti in Ekiti State, Nigeria. The mesocarps of the fruits collected were removed to obtain the nuts, while the collected nuts were dried under ambient conditions for several days. The actual moisture content of the nuts at the time of the experiment was determined using KT100S Moisture Meter, with moisture content ranged 17.9% to 19.15%. The physical properties determined are axial dimension, geometric mean diameter, arithmetic mean diameter, sphericity, true and bulk densities, porosity, angles of repose, and coefficients of friction. The nuts were measured using a vernier caliper for physical assessment of their sizes. The axial dimensions of 100 nuts were taken and the result shows that the size ranges from 7.30 to 9.32cm for major diameter, 7.2 to 8.9 cm for intermediate diameter, and 4.2 to 6.33 for minor diameter. The mechanical properties determined were compressive force, compressive stress, and deformation both at peak and break using Instron hydraulic universal tensile testing machine. The work also revealed that giant palm seed can be classified as an oil-bearing seed. The seed gave 18% using the solvent extraction method. The results obtained from the study will help in solving the problem of equipment design, handling, and further processing of the seeds.Keywords: giant palm seeds, engineering properties, oil potential, moisture content, and giant palm fruit
Procedia PDF Downloads 7710657 Green Synthesized Palladium Loaded Titanium Nanotube Arrays for Simultaneous Azo-Dye Degradation and Hydrogen Production
Authors: Yen-Ping Peng, Ku-Fan Chen, Ken-Lin Chang, Jian Sun
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In this study, palladium loaded titanium dioxide nanotube arrays (Pd/TNAs) was successfully synthesized by anodic oxidation etching method combined with microwave hydrothermal method, using tea or coffee as a green reductant. Pd/TNAs was employed as an electrode in a photoelectrochemcial (PEC) system to simultaneously remove azo-dye and to generate hydrogen in the anodic and cathodic chamber, respectively. The chemical and physical properties of as-synthesized Pd/TNAs were characterized by scanning electron microscopy (SEM), ultraviolet–visible spectroscopy (UV-vis), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). SEM image indicates the diameter and the length of Pd/TNAs were approximately 300 nm and 2.5 μm, respectively. XPS analyses indicate that 1.13% (atomic %) of Pd was loaded onto the surface of TNAs. UV-vis results show that the band gap of TNAs was reduced from 3.2 eV to 2.37 eV after Pd loading. In addition, the electrochemical performances of Pd/TNAs were investigated by photocurrent density test and electrochemical impedance spectroscopy (EIS). The photocurrent (4.0 mA/cm²) of Pd /TNAs was higher than that of the uncoated TNAs (1.4 mA/cm²) at a bias potential of 1 V (vs. Ag/AgCl), indicating that Pd/TNAs-C can effectively separate photogenerated electrons and holes. The mechanism of our PEC system was proposed and discussed in detail in this study.Keywords: Pd/TNAs, photoelectrochemical, azo-dye degradation, hydrogen generation
Procedia PDF Downloads 42210656 A Detailed Computational Investigation into Copper Catalyzed Sonogashira Coupling Reaction
Authors: C. Rajalakshmi, Vibin Ipe Thomas
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Sonogashira coupling reactions are widely employed in the synthesis of molecules of biological and pharmaceutical importance. Copper catalyzed Sonogashira coupling reactions are gaining importance owing to the low cost and less toxicity of copper as compared to the palladium catalyst. In the present work, a detailed computational study has been carried out on the Sonogashira coupling reaction between aryl halides and terminal alkynes catalyzed by Copper (I) species with trans-1, 2 Diaminocyclohexane as ligand. All calculations are performed at Density Functional Theory (DFT) level, using the hybrid Becke3LYP functional. Cu and I atoms are described using an effective core potential (LANL2DZ) for the inner electrons and its associated double-ζ basis set for the outer electrons. For all other atoms, 6-311G+* basis set is used. We have identified that the active catalyst species is a neutral 3-coordinate trans-1,2 diaminocyclohexane ligated Cu (I) alkyne complex and found that the oxidative addition and reductive elimination occurs in a single step proceeding through one transition state. This is owing to the ease of reductive elimination involving coupling of Csp2-Csp carbon atoms and the less stable Cu (III) intermediate. This shows the mechanism of copper catalyzed Sonogashira coupling reactions are quite different from those catalyzed by palladium. To gain further insights into the mechanism, substrates containing various functional groups are considered in our study to traverse their effect on the feasibility of the reaction. We have also explored the effect of ligand on the catalytic cycle of the coupling reaction. The theoretical results obtained are in good agreement with the experimental observation. This shows the relevance of a combined theoretical and experimental approach for rationally improving the cross-coupling reaction mechanisms.Keywords: copper catalysed, density functional theory, reaction mechanism, Sonogashira coupling
Procedia PDF Downloads 11610655 The Pressure Effect and First-Principles Study of Strontium Chalcogenides SrS
Authors: Benallou Yassine, Amara Kadda, Bouazza Boubakar, Soudini Belabbes, Arbouche Omar, M. Zemouli
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The study of the pressure effect on the materials, their functionality and their properties is very important, insofar as it provides the opportunity to identify others applications such the optical properties in the alkaline earth chalcogenides, as like the SrS. Here we present the first-principles calculations which have been performed using the full potential linearized augmented plane wave method (FP-LAPW) within the Generalized Gradient Approximation developed by Perdew–Burke–Ernzerhor for solids (PBEsol). The calculated structural parameters like the lattice parameters, the bulk modulus B and their pressure derivative B' are in reasonable agreement with the available experimental and theoretical data. In addition, the elastic properties such as elastic constants (C11, C12, and C44), the shear modulus G, the Young modulus E, the Poisson’s ratio ν and the B/G ratio are also given. The treatments of exchange and correlation effects were done by the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential for the electronic. The pressure effect on the electronic properties was visualized by calculating the variations of the gap as a function of pressure. The obtained results are compared to available experimental data and to other theoretical calculationsKeywords: SrS, GGA-PBEsol+TB-MBJ, density functional, Perdew–Burke–Ernzerhor, FP-LAPW, pressure effect
Procedia PDF Downloads 56910654 Corrosion Study of Magnetically Driven Components in Spinal Implants by Immersion Testing in Simulated Body Fluids
Authors: Benjawan Saengwichian, Alasdair E. Charles, Philip J. Hyde
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Magnetically controlled growing rods (MCGRs) have been used to stabilise and correct spinal curvature in children to support non-invasive scoliosis adjustment. Although the encapsulated driving components are intended to be isolated from body fluid contact, in vivo corrosion was observed on these components due to sealing mechanism damage. Consequently, a corrosion circuit is created with the body fluids, resulting in malfunction of the lengthening mechanism. Particularly, the chloride ions in blood plasma or cerebrospinal fluid (CSF) may corrode the MCGR alloys, possibly resulting in metal ion release in long-term use. However, there is no data available on the corrosion resistance of spinal implant alloys in CSF. In this study, an in vitro immersion configuration was designed to simulate in vivo corrosion of 440C SS-Ti6Al4V couples. The 440C stainless steel (SS) was heat-treated to investigate the effect of tempering temperature on intergranular corrosion (IGC), while crevice and galvanic corrosion were studied by limiting the clearance of dissimilar couples. Tests were carried out in a neutral artificial cerebrospinal fluid (ACSF) and phosphate-buffered saline (PBS) under aeration and deaeration for 2 months. The composition of the passive films and metal ion release were analysed. The effect of galvanic coupling, pH, dissolved oxygen and anion species on corrosion rates and corrosion mechanisms are discussed based on quantitative and qualitative measurements. The results suggest that ACSF is more aggressive than PBS due to the combination of aggressive chlorides and sulphate anions, while phosphate in PBS acts as an inhibitor to delay corrosion. The presence of Vivianite on the SS surface in PBS lowered the corrosion rate (CR) more than 5 times for aeration and nearly 2 times for deaeration, compared with ACSF. The CR of 440C is dependent on passive film properties varied by tempering temperature and anion species. Although the CR of Ti6Al4V is insignificant, it tends to release more Ti ions in deaerated ACSF than under aeration, about 6 µg/L. It seems the crevice-like design has more effect on macroscopic corrosion than combining the dissimilar couple, whereas IGC is dominantly observed on sensitized microstructure.Keywords: cerebrospinal fluid, crevice corrosion, intergranular corrosion, magnetically controlled growing rods
Procedia PDF Downloads 12910653 Investigation of Microstructure and Mechanical Properties of Friction Stir Welded Dissimilar Aluminium Alloys
Authors: Gurpreet Singh, Hazoor Singh, Kulbir Singh Sandhu
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Friction Stir Welding Process emerged as promising solid-state welding and eliminates various welding defects like cracks and porosity in joining of dissimilar aluminum alloys. In the present research, Friction Stir Welding (FSW) is carried out on dissimilar aluminum alloys 2000 series and 6000 series this combination of alloys are highly used in automobile and aerospace industry due to their good strength to weight ratio, mechanical, and corrosion properties. The joints characterized by applying various destructive and non-destructive tests. Three critical welding parameters were considered i.e. Tool Rotation speed, Transverse speed, and Tool Geometry. The effective range of tool rotation speed from 1200-1800 rpm and transverse speed from 60-240 mm/min and tool geometry was studied. The two-different difficult to weld alloys were successfully welded. All the samples showed different microstructure with different set of welding parameters. It has been revealed with microstructure scans that grain refinement plays a crucial role in mechanical properties.Keywords: aluminum alloys, friction stir welding, mechanical properties, microstructure
Procedia PDF Downloads 27810652 Design and Fabrication of a Scaffold with Appropriate Features for Cartilage Tissue Engineering
Authors: S. S. Salehi, A. Shamloo
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Poor ability of cartilage tissue when experiencing a damage leads scientists to use tissue engineering as a reliable and effective method for regenerating or replacing damaged tissues. An artificial tissue should have some features such as biocompatibility, biodegradation and, enough mechanical properties like the original tissue. In this work, a composite hydrogel is prepared by using natural and synthetic materials that has high porosity. Mechanical properties of different combinations of polymers such as modulus of elasticity were tested, and a hydrogel with good mechanical properties was selected. Bone marrow derived mesenchymal stem cells were also seeded into the pores of the sponge, and the results showed the adhesion and proliferation of cells within the hydrogel after one month. In comparison with previous works, this study offers a new and efficient procedure for the fabrication of cartilage like tissue and further cartilage repair.Keywords: cartilage tissue engineering, hydrogel, mechanical strength, mesenchymal stem cell
Procedia PDF Downloads 30010651 Effect of Shot Peening on the Mechanical Properties for Welded Joints of Aluminium Alloy 6061-T6
Authors: Muna Khethier Abbass, Khairia Salman Hussan, Huda Mohummed AbdudAlaziz
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This work aims to study the effect of shot peening on the mechanical properties of welded joints which performed by two different welding processes: Tungsten inert gas (TIG) welding and friction stir welding (FSW) processes of aluminum alloy 6061 T6. Arc welding process (TIG) was carried out on the sheet with dimensions of (100x50x6 mm) to obtain many welded joints with using electrode type ER4043 (AlSi5) as a filler metal and argon as shielding gas. While the friction stir welding process was carried out using CNC milling machine with a tool of rotational speed (1000 rpm) and welding speed of (20 mm/min) to obtain the same butt welded joints. The welded pieces were tested by X-ray radiography to detect the internal defects and faulty welded pieces were excluded. Tensile test specimens were prepared from welded joints and base alloy in the dimensions according to ASTM17500 and then subjected to shot peening process using steel ball of diameter 0.9 mm and for 15 min. All specimens were subjected to Vickers hardness test and micro structure examination to study the effect of welding process (TIG and FSW) on the micro structure of the weld zones. Results showed that a general decay of mechanical properties of TIG and FSW welded joints comparing with base alloy while the FSW welded joint gives better mechanical properties than that of TIG welded joint. This is due to the micro structure changes during the welding process. It has been found that the surface hardening by shot peening improved the mechanical properties of both welded joints, this is due to the compressive residual stress generation in the weld zones which was measured using X-Ray diffraction (XRD) inspection.Keywords: friction stir welding, TIG welding, mechanical properties, shot peening
Procedia PDF Downloads 33910650 Characteristics of Asphalt Mixtures with Cocoa Shell Ash as Filler
Authors: Muhammad Nur Hidayat, Muksalmina, Chairul Fajar
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An alternative to improve the quality of asphalt as a pavement material is to use modified asphalt with the addition of cocoa shell ash as a filler. This research aims to determine the effect of asphalt mixture and cocoa shell ash after testing the physical properties of asphalt. The method used was experimental by testing the physical properties of asphalt. The results showed that the optimum asphalt content of the cocoa husk ash mixture was 2%, with an asphalt penetration value of 60.03 mm. The result of the asphalt softening point test was 51.0°C. Asphalt ductility test results in 144 cm. Asphalt specific gravity test result 1.076 gr/ml. Asphalt weight loss test results in 0.0183%. In conclusion, cocoa shell ash has an effect on asphalt characteristics, namely increasing stability, flexibility and fatigue resistance.Keywords: cocoa husk ash, asphalt characteristics, physical properties testing, filler
Procedia PDF Downloads 3710649 Mechanical Properties of the Sugarcane Bagasse Reinforced Polypropylene Composites
Authors: R. L. M. Paiva, M. R. Capri, D. R. Mulinari, C. F. Bandeira, S. R. Montoro
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Natural fibers are used in polymer composites to improve mechanical properties, substituting inorganic reinforcing agents produced by non renewable resources. The present study investigates the tensile, flexural and impact behaviors of sugarcane bagasse fibers-polypropylene composite as a function of volume fraction. The surface of the fibers was modified by mercerization treatments to improve the wetting behavior of the apolar polypropylene. The treatment characterization was obtained by infrared spectroscopy and scanning electron microscopy. Results evidence that a good adhesion interfacial between fibers-matrix causing an increase strength and modulus flexural as well as impact strength in the modified fibers/PP composites when compared to the pure PP and unmodified fibers reinforced composites.Keywords: sugarcane bagasse, polymer composites, mechanical properties, fibers
Procedia PDF Downloads 62010648 Mechanical Properties and Microstructure of Ultra-High Performance Concrete Containing Fly Ash and Silica Fume
Authors: Jisong Zhang, Yinghua Zhao
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The present study investigated the mechanical properties and microstructure of Ultra-High Performance Concrete (UHPC) containing supplementary cementitious materials (SCMs), such as fly ash (FA) and silica fume (SF), and to verify the synergistic effect in the ternary system. On the basis of 30% fly ash replacement, the incorporation of either 10% SF or 20% SF show a better performance compared to the reference sample. The efficiency factor (k-value) was calculated as a synergistic effect to predict the compressive strength of UHPC with these SCMs. The SEM of micrographs and pore volume from BJH method indicate a high correlation with compressive strength. Further, an artificial neural networks model was constructed for prediction of the compressive strength of UHPC containing these SCMs.Keywords: artificial neural network, fly ash, mechanical properties, ultra-high performance concrete
Procedia PDF Downloads 41410647 Sintering Properties of Mechanically Alloyed Ti-5Al-2.5Fe
Authors: Ridvan Yamanoglu, Erdinc Efendi, Ismail Daoud
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In this study, Ti-5Al-2.5Fe alloy was prepared by powder metallurgy. The elemental titanium, aluminum, and iron powders were mechanically alloyed for 10 h in a vacuum atmosphere. A stainless steel jar and stainless steel balls were used for mechanical alloying. The alloyed powders were then sintered by vacuum hot pressing at 950 °C for a soaking time of 30 minutes. Pure titanium was also sintered at the same conditions for comparison of mechanical properties and microstructural behavior. The samples were investigated by scanning electron microscopy, XRD analysis, and optical microscopy. Results showed that, after mechanical alloying, a homogeneous distribution of the elements was obtained, and desired a-b structure was determined. Ti-5Al-2.5Fe alloy was successfully produced, and the alloy showed enhanced mechanical properties compared to the commercial pure titanium.Keywords: Ti5Al-2.5Fe, mechanical alloying, hot pressing, sintering
Procedia PDF Downloads 28010646 Effect of Print Orientation on the Mechanical Properties of Multi Jet Fusion Additively Manufactured Polyamide-12
Authors: Tyler Palma, Praveen Damasus, Michael Munther, Mehrdad Mohsenizadeh, Keivan Davami
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The advancement of additive manufacturing, in both research and commercial realms, is highly dependent upon continuing innovations and creativity in materials and designs. Additive manufacturing shows great promise towards revolutionizing various industries, due largely to the fact that design data can be used to create complex products and components, on demand and from the raw materials, for the end user at the point of use. However, it will be critical that the material properties of additively-made parts for engineering purposes be fully understood. As it is a relatively new additive manufacturing method, the response of properties of Multi Jet Fusion (MJF) produced parts to different printing parameters has not been well studied. In this work, testing of mechanical and tribological properties MJF-printed Polyamide 12 parts was performed to determine whether printing orientation in this method results in significantly different part performances. Material properties were studied at macro- and nanoscales. Tensile tests, in combination with tribology tests including steady-state wear, were performed. Results showed a significant difference in resultant part characteristics based on whether they were printed in a vertical or horizontal orientation. Tensile performance of vertically and horizontally printed samples varied, both in ultimate strength and strain. Tribology tests showed that printing orientation has notable effects on the resulting mechanical and wear properties of tested surfaces, due largely to layer orientation and the presence of unfused fused powder grain inclusions. This research advances the understanding of how print orientation affects the mechanical properties of additively manufactured structures, and also how print orientation can be exploited in future engineering design.Keywords: additive manufacturing, indentation, nano mechanical characterization, print orientation
Procedia PDF Downloads 13710645 Study the Effects of Increasing Unsaturation in Palm Oil and Incorporation of Carbon Nanotubes on Resinous Properties
Authors: Muhammad R. Islam, Mohammad Dalour H. Beg, Saidatul S. Jamari
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Considering palm oil as non-drying oil owing to its low iodine value, an attempt was taken to increase the unsaturation in the fatty acid chains of palm oil for the preparation of alkyds. To increase the unsaturation in the palm oil, sulphuric acid (SA) and para-toluene sulphonic acid (PTSA) was used prior to alcoholysis for the dehydration process. The iodine number of the oil samples was checked for the unsaturation measurement by Wijs method. Alkyd resin was prepared using the dehydrated palm oil by following alcoholysis and esterification reaction. To improve the film properties 0.5 wt% multi-wall carbon nano tubes (MWCNTs) were used to manufacture polymeric film. The properties of the resins were characterized by various physico-chemical properties such as density, viscosity, iodine value, acid value, saponification value, etc. Structural elucidation was confirmed by Fourier transform of infrared spectroscopy and proton nuclear magnetic resonance; surfaces of the cured films were observed by scanning electron microscopy. In addition, pencil hardness and chemical resistivity was also measured by using standard methods. The effect of enhancement of the unsaturation in the fatty acid chain found significant and motivational. The resin prepared with dehydrated palm oil showed improved properties regarding hardness and chemical resistivity testing. The incorporation of MWCNTs enhanced the thermal stability and hardness of the films as well.Keywords: alkyd resin, nano-coatings, dehydration, palm oil
Procedia PDF Downloads 31010644 Desire as Psychological Case against Nihilism and a Clear Mechanism as Evidence for Moral Realism
Authors: Paul Pistone
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Nihilism claims that there are no actual intrinsic goods. Desire, however, directly contradicts this claim. To desire, something is more than to be motivated to bring about the desired ends. It is more than to take pleasure in it, seeming that one has obtained her desired end. Desire is, further, more than believing that something is good. Desire is the perception that something is good for the self. In this paper, it is argued that desire is an agent-relative value seeming. This implies that there are intrinsic values. It will be argued that: (1) there are intrinsic values related to life and flourishing, (2) that it is metaphysically impossible that there are no intrinsic values, (3) that desire is our psychological mechanism which enables us to perceive a state of affairs or event as an agent-relative good, and (4) while we can be wrong about the large scale object of desire (i.e., the instrumental desire) we cannot be wrong about what is at the root of our desire (i.e., the intrinsic desire). The method of this paper will be to examine the claims of nihilism and moral realism in recent literature, present a case for moral realism, discuss a few theories of desire, connect moral realism to an evaluative perceptual model of desire, and conclude that not only is this the best theory of desire but that this psychological faculty offers a clear counterexample to nihilism.Keywords: desire, moral realism, nihilism, perception
Procedia PDF Downloads 12510643 A Structured Mechanism for Identifying Political Influencers on Social Media Platforms Top 10 Saudi Political Twitter Users
Authors: Ahmad Alsolami, Darren Mundy, Manuel Hernandez-Perez
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Social media networks, such as Twitter, offer the perfect opportunity to either positively or negatively affect political attitudes on large audiences. A most important factor contributing to this effect is the existence of influential users, who have developed a reputation for their awareness and experience on specific subjects. Therefore, knowledge of the mechanisms to identify influential users on social media is vital for understanding their effect on their audience. The concept of the influential user is based on the pioneering work of Katz and Lazarsfeld (1959), who created the concept of opinion leaders' to indicate that ideas first flow from mass media to opinion leaders and then to the rest of the population. Hence, the objective of this research was to provide reliable and accurate structural mechanisms to identify influential users, which could be applied to different platforms, places, and subjects. Twitter was selected as the platform of interest, and Saudi Arabia as the context for the investigation. These were selected because Saudi Arabia has a large number of Twitter users, some of whom are considerably active in setting agendas and disseminating ideas. The study considered the scientific methods that have been used to identify public opinion leaders before, utilizing metrics software on Twitter. The key findings propose multiple novel metrics to compare Twitter influencers, including the number of followers, social authority and the use of political hashtags, and four secondary filtering measures. Thus, using ratio and percentage calculations to classify the most influential users, Twitter accounts were filtered, analyzed and included. The structured approach is used as a mechanism to explore the top ten influencers on Twitter from the political domain in Saudi Arabia.Keywords: twitter, influencers, structured mechanism, Saudi Arabia
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