Search results for: electron transport layer
5163 Distributed Framework for Pothole Detection and Monitoring Using Federated Learning
Authors: Ezil Sam Leni, Shalen S.
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Transport service monitoring and upkeep are essential components of smart city initiatives. The main risks to the relevant departments and authorities are the ever-increasing vehicular traffic and the conditions of the roads. In India, the economy is greatly impacted by the road transport sector. In 2021, the Ministry of Road Transport and Highways Transport, Government of India, produced a report with statistical data on traffic accidents. The data included the number of fatalities, injuries, and other pertinent criteria. This study proposes a distributed infrastructure for the monitoring, detection, and reporting of potholes to the appropriate authorities. In a distributed environment, the nodes are the edge devices, and local edge servers, and global servers. The edge devices receive the initial model to be employed from the global server. The YOLOv8 model for pothole detection is used in the edge devices. The edge devices run the pothole detection model, gather the pothole images on their path, and send the updates to the nearby edge server. The local edge server selects the clients for its aggregation process, aggregates the model updates and sends the updates to the global server. The global server collects the updates from the local edge servers, performs aggregation and derives the updated model. The updated model has the information about the potholes received from the local edge servers and notifies the updates to the local edge servers and concerned authorities for monitoring and maintenance of road conditions. The entire process is implemented in FedCV distributed environment with the implementation using the client-server model and aggregation entities. After choosing the clients for its aggregation process, the local edge server gathers the model updates and transmits them to the global server. After gathering the updates from the regional edge servers, the global server aggregates them and creates the updated model. Performance indicators and the experimentation environment are assessed, discussed, and presented. Accelerometer data may be taken into consideration for improved performance in the future development of this study, in addition to the images captured from the transportation routes.Keywords: federated Learning, pothole detection, distributed framework, federated averaging
Procedia PDF Downloads 1015162 Temperature Distribution for Asphalt Concrete-Concrete Composite Pavement
Authors: Tetsya Sok, Seong Jae Hong, Young Kyu Kim, Seung Woo Lee
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The temperature distribution for asphalt concrete (AC)-Concrete composite pavement is one of main influencing factor that affects to performance life of pavement. The temperature gradient in concrete slab underneath the AC layer results the critical curling stress and lead to causes de-bonding of AC-Concrete interface. These stresses, when enhanced by repetitive axial loadings, also contribute to the fatigue damage and eventual crack development within the slab. Moreover, the temperature change within concrete slab extremely causes the slab contracts and expands that significantly induces reflective cracking in AC layer. In this paper, the numerical prediction of pavement temperature was investigated using one-dimensional finite different method (FDM) in fully explicit scheme. The numerical predicted model provides a fundamental and clear understanding of heat energy balance including incoming and outgoing thermal energies in addition to dissipated heat in the system. By using the reliable meteorological data for daily air temperature, solar radiation, wind speech and variable pavement surface properties, the predicted pavement temperature profile was validated with the field measured data. Additionally, the effects of AC thickness and daily air temperature on the temperature profile in underlying concrete were also investigated. Based on obtained results, the numerical predicted temperature of AC-Concrete composite pavement using FDM provided a good accuracy compared to field measured data and thicker AC layer significantly insulates the temperature distribution in underlying concrete slab.Keywords: asphalt concrete, finite different method (FDM), curling effect, heat transfer, solar radiation
Procedia PDF Downloads 2675161 Magnetron Sputtered Thin-Film Catalysts with Low Noble Metal Content for Proton Exchange Membrane Water Electrolysis
Authors: Peter Kus, Anna Ostroverkh, Yurii Yakovlev, Yevheniia Lobko, Roman Fiala, Ivan Khalakhan, Vladimir Matolin
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Hydrogen economy is a concept of low-emission society which harvests most of its energy from renewable sources (e.g., wind and solar) and in case of overproduction, electrochemically turns the excess amount into hydrogen, which serves as an energy carrier. Proton exchange membrane water electrolyzers (PEMWE) are the backbone of this concept. By fast-response electricity to hydrogen conversion, the PEMWEs will not only stabilize the electrical grid but also provide high-purity hydrogen for variety of fuel cell powered devices, ranging from consumer electronics to vehicles. Wider commercialization of PEMWE technology is however hindered by high prices of noble metals which are necessary for catalyzing the redox reactions within the cell. Namely, platinum for hydrogen evolution reaction (HER), running on cathode, and iridium for oxygen evolution reaction (OER) on anode. Possible way of how to lower the loading of Pt and Ir is by using conductive high-surface nanostructures as catalyst supports in conjunction with thin-film catalyst deposition. The presented study discusses unconventional technique of membrane electron assembly (MEA) preparation. Noble metal catalysts (Pt and Ir) were magnetron sputtered in very low loadings onto the surface of porous sublayers (located on gas diffusion layer or directly on membrane), forming so to say localized three-phase boundary. Ultrasonically sprayed corrosion resistant TiC-based sublayer was used as a support material on anode, whereas magnetron sputtered nanostructured etched nitrogenated carbon (CNx) served the same role on cathode. By using this configuration, we were able to significantly decrease the amount of noble metals (to thickness of just tens of nanometers), while keeping the performance comparable to that of average state-of-the-art catalysts. Complex characterization of prepared supported catalysts includes in-cell performance and durability tests, electrochemical impedance spectroscopy (EIS) as well as scanning electron microscopy (SEM) imaging and X-ray photoelectron spectroscopy (XPS) analysis. Our research proves that magnetron sputtering is a suitable method for thin-film deposition of electrocatalysts. Tested set-up of thin-film supported anode and cathode catalysts with combined loading of just 120 ug.cm⁻² yields remarkable values of specific current. Described approach of thin-film low-loading catalyst deposition might be relevant when noble metal reduction is the topmost priority.Keywords: hydrogen economy, low-loading catalyst, magnetron sputtering, proton exchange membrane water electrolyzer
Procedia PDF Downloads 1625160 A Spectroscopic Study by Photoluminescence of Erbium in Gallium Nitride
Authors: A. Melouah, M. Diaf
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The III-N nitride semiconductors appear to be excellent host materials, in particular, GaN epilayers doped with Erbium ions have shown a highly reduced thermal quenching of the Er luminescence intensity from cryogenic to elevated temperatures. The remarkable stability may be due to the large energy band gap of the material. Two methods are used for doping the Gallium nitride films with Erbium ions; ion implantation in the wafers obtained by (CVDOM) and in-situ incorporation during epitaxial growth of the layers by (MBE). Photoluminescence (PL) spectroscopy has been the main optical technique used to characterize the emission of Er-doped III-N semiconductor materials. This technique involves optical excitation of Er3+ ions and measurement of the spectrum of the light emission as a function of energy (wavelength). Excitation at above band gap energy leads to the creation of Electron-Hole pairs. Some of this pairs may transfer their energy to the Er3+ ions, exciting the 4f-electrons and resulting in optical emission. This corresponds to an indirect excitation of the Er3+ ions by electron-hole pairs. The direct excitation by the optical pumping of the radiation can be obtained.Keywords: photoluminescence, Erbium, GaN, semiconductor materials
Procedia PDF Downloads 4105159 A TiO₂-Based Memristor Reliable for Neuromorphic Computing
Authors: X. S. Wu, H. Jia, P. H. Qian, Z. Zhang, H. L. Cai, F. M. Zhang
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A bipolar resistance switching behaviour is detected for a Ti/TiO2-x/Au memristor device, which is fabricated by a masked designed magnetic sputtering. The current dependence of voltage indicates the curve changes slowly and continuously. When voltage pulses are applied to the device, the set and reset processes maintains linearity, which is used to simulate the synapses. We argue that the conduction mechanism of the device is from the oxygen vacancy channel model, and the resistance of the device change slowly due to the reaction between the titanium electrode and the intermediate layer and the existence of a large number of oxygen vacancies in the intermediate layer. Then, Hopfield neural network is constructed to simulate the behaviour of neural network in image processing, and the accuracy rate is more than 98%. This shows that titanium dioxide memristor has a broad application prospect in high performance neural network simulation.Keywords: memristor fabrication, neuromorphic computing, bionic synaptic application, TiO₂-based
Procedia PDF Downloads 875158 Air–Water Two-Phase Flow Patterns in PEMFC Microchannels
Authors: Ibrahim Rassoul, A. Serir, E-K. Si Ahmed, J. Legrand
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The acronym PEM refers to Proton Exchange Membrane or alternatively Polymer Electrolyte Membrane. Due to its high efficiency, low operating temperature (30–80 °C), and rapid evolution over the past decade, PEMFCs are increasingly emerging as a viable alternative clean power source for automobile and stationary applications. Before PEMFCs can be employed to power automobiles and homes, several key technical challenges must be properly addressed. One technical challenge is elucidating the mechanisms underlying water transport in and removal from PEMFCs. On one hand, sufficient water is needed in the polymer electrolyte membrane or PEM to maintain sufficiently high proton conductivity. On the other hand, too much liquid water present in the cathode can cause “flooding” (that is, pore space is filled with excessive liquid water) and hinder the transport of the oxygen reactant from the gas flow channel (GFC) to the three-phase reaction sites. The experimental transparent fuel cell used in this work was designed to represent actual full scale of fuel cell geometry. According to the operating conditions, a number of flow regimes may appear in the microchannel: droplet flow, blockage water liquid bridge /plug (concave and convex forms), slug/plug flow and film flow. Some of flow patterns are new, while others have been already observed in PEMFC microchannels. An algorithm in MATLAB was developed to automatically determine the flow structure (e.g. slug, droplet, plug, and film) of detected liquid water in the test microchannels and yield information pertaining to the distribution of water among the different flow structures. A video processing algorithm was developed to automatically detect dynamic and static liquid water present in the gas channels and generate relevant quantitative information. The potential benefit of this software allows the user to obtain a more precise and systematic way to obtain measurements from images of small objects. The void fractions are also determined based on images analysis. The aim of this work is to provide a comprehensive characterization of two-phase flow in an operating fuel cell which can be used towards the optimization of water management and informs design guidelines for gas delivery microchannels for fuel cells and its essential in the design and control of diverse applications. The approach will combine numerical modeling with experimental visualization and measurements.Keywords: polymer electrolyte fuel cell, air-water two phase flow, gas diffusion layer, microchannels, advancing contact angle, receding contact angle, void fraction, surface tension, image processing
Procedia PDF Downloads 3115157 The Influence of Microscopic Features on the Self-Cleaning Ability of Developed 3D Printed Fabric-Like Structures Using Different Printing Parameters
Authors: Ayat Adnan Atwah, Muhammad A. Khan
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Self-cleaning surfaces are getting significant attention in industrial fields. Especially for textile fabrics, it is observed that self-cleaning textile fabric surfaces are created by manipulating the surface features with the help of coatings and nanoparticles, which are considered costly and far more complicated. However, controlling the fabrication parameters of textile fabrics at the microscopic level by exploring the potential for self-cleaning has not been addressed. This study aimed to establish the context of self-cleaning textile fabrics by controlling the fabrication parameters of the textile fabric at the microscopic level. Therefore, 3D-printed textile fabrics were fabricated using the low-cost fused filament fabrication (FFF) technique. The printing parameters, such as orientation angle (O), layer height (LH), and extruder width (EW), were used to control the microscopic features of the printed fabrics. The combination of three printing parameters was created to provide the best self-cleaning textile fabric surface: (LH) (0.15, 0.13, 0.10 mm) and (EW) (0.5, 0.4, 0.3 mm) along with two different (O) of (45º and 90º). Three different thermoplastic flexible filament materials were used: (TPU 98A), (TPE felaflex), and (TPC flex45). The printing parameters were optimised to get the optimum self-cleaning ability of the printed specimens. Furthermore, the impact of these characteristics on mechanical strength at the fabric-woven structure level was investigated. The study revealed that the printing parameters significantly affect the self-cleaning properties after adjusting the selected combination of layer height, extruder width, and printing orientation. A linear regression model was effectively developed to demonstrate the association between 3D printing parameters (layer height, extruder width, and orientation). According to the experimental results, (TPE felaflex) has a better self-cleaning ability than the other two materials.Keywords: 3D printing, self-cleaning fabric, microscopic features, printing parameters, fabrication
Procedia PDF Downloads 875156 3D Linear and Cyclic Homo-Peptide Crystals Forged by Supramolecular Swelling Self-Assembly
Authors: Wenliang Song, Yu Zhang, Hua Jin, Il Kim
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The self-assembly of the polypeptide (PP) into well-defined structures at different length scales is both biomimetic relevant and fundamentally interesting. Although there are various reports of nanostructures fabricated by the self-assembly of various PPs, directed self-assembly of PP into three-dimensional (3D) hierarchical structure has proven to be difficult, despite their importance for biological applications. Herein, an efficient method has been developed through living polymerization of phenylalanine N-Carboxy anhydride (NCA) towards the linear and cyclic polyphenylalanine, and the new invented swelling methodology can form diverse hierarchical polypeptide crystals. The solvent-dependent self-assembly behaviors of these homopolymers were characterized by high-resolution imaging tools such as atomic force microscopy, transmission electron microscopy, scanning electron microscope. The linear and cyclic polypeptide formed 3D nano hierarchical shapes, such as a sphere, cubic, stratiform and hexagonal star in different solvents. Notably, a crystalline packing model was proposed to explain the formation of 3D nanostructures based on the various diffraction patterns, looking forward to give an insight for their dissimilar shape inflection during the self-assembly process.Keywords: self-assembly, polypeptide, bio-polymer, crystalline polymer
Procedia PDF Downloads 2385155 Observation of Large-Scale Traveling Ionospheric Disturbance over Peninsular Malaysia Using GPS Receivers
Authors: Intan Izafina Idrus, Mardina Abdullah, Alina Marie Hasbi, Asnawi Husin
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This paper presents the result of large-scale traveling ionospheric disturbance (LSTID) observation during moderate magnetic storm event on 25 October 2011 with SYM-H ~ -160 nT and Kp ~ 7 over Peninsular Malaysia at equatorial region using vertical total electron content (VTEC) from the Global Positioning System (GPS) observation measurement. The propagation of the LSTID signatures in the TEC measurements over Peninsular Malaysia was also investigated using VTEC map. The LSTID was found to propagate equator-ward during this event. The results showed that the LSTID propagated with an average phase velocity of 526.41 m/s and average periods of 140 min. The occurrence of this LSTID was also found to be the subsequent effects of substorm activities in the auroral region.Keywords: Global Positioning System (GPS), large-scale traveling ionospheric disturbance (LSTID), moderate geomagnetic storm, vertical total electron content (VTEC)
Procedia PDF Downloads 2235154 Direct Electrical Communication of Redox Enzyme Based on 3-Dimensional Cross-Linked Redox Enzyme/Nanomaterials
Authors: A. K. M. Kafi, S. N. Nina, Mashitah M. Yusoff
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In this work, we have described a new 3-dimensional (3D) network of cross-linked Horseradish Peroxidase/Carbon Nanotube (HRP/CNT) on a thiol-modified Au surface in order to build up the effective electrical wiring of the enzyme units with the electrode. This was achieved by the electropolymerization of aniline-functionalized carbon nanotubes (CNTs) and 4-aminothiophenol -modified-HRP on a 4-aminothiophenol monolayer-modified Au electrode. The synthesized 3D HRP/CNT networks were characterized with cyclic voltammetry and amperometry, resulting the establishment direct electron transfer between the redox active unit of HRP and the Au surface. Electrochemical measurements reveal that the immobilized HRP exhibits high biological activity and stability and a quasi-reversible redox peak of the redox center of HRP was observed at about −0.355 and −0.275 V vs. Ag/AgCl. The electron transfer rate constant, KS and electron transfer co-efficient were found to be 0.57 s-1 and 0.42, respectively. Based on the electrocatalytic process by direct electrochemistry of HRP, a biosensor for detecting H2O2 was developed. The developed biosensor exhibits excellent electrocatalytic activity for the reduction of H2O2. The proposed biosensor modified with HRP/CNT 3D network displays a broader linear range and a lower detection limit for H2O2 determination. The linear range is from 1.0×10−7 to 1.2×10−4M with a detection limit of 2.2.0×10−8M at 3σ. Moreover, this biosensor exhibits very high sensitivity, good reproducibility and long-time stability. In summary, ease of fabrication, a low cost, fast response and high sensitivity are the main advantages of the new biosensor proposed in this study. These obvious advantages would really help for the real analytical applicability of the proposed biosensor.Keywords: redox enzyme, nanomaterials, biosensors, electrical communication
Procedia PDF Downloads 4545153 Dielectric Behavior of 2D Layered Insulator Hexagonal Boron Nitride
Authors: Nikhil Jain, Yang Xu, Bin Yu
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Hexagonal boron nitride (h-BN) has been used as a substrate and gate dielectric for graphene field effect transistors (GFETs). Using a graphene/h-BN/TiN (channel/dielectric/gate) stack, key material properties of h-BN were investigated i.e. dielectric strength and tunneling behavior. Work function difference between graphene and TiN results in spontaneous p-doping of graphene through a multi-layer h-BN flake. However, at high levels of current stress, n-doping of graphene is observed, possibly due to the charge transfer across the thin h-BN multi layer. Neither Direct Tunneling (DT) nor Fowler-Nordheim Tunneling (FNT) was observed in TiN/h-BN/Au hetero structures with h-BN showing two distinct volatile conduction states before breakdown. Hexagonal boron nitride emerges as a material of choice for gate dielectrics in GFETs because of robust dielectric properties and high tunneling barrier.Keywords: graphene, transistors, conduction, hexagonal boron nitride, dielectric strength, tunneling
Procedia PDF Downloads 3615152 Image Processing on Geosynthetic Reinforced Layers to Evaluate Shear Strength and Variations of the Strain Profiles
Authors: S. K. Khosrowshahi, E. Güler
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This study investigates the reinforcement function of geosynthetics on the shear strength and strain profile of sand. Conducting a series of simple shear tests, the shearing behavior of the samples under static and cyclic loads was evaluated. Three different types of geosynthetics including geotextile and geonets were used as the reinforcement materials. An image processing analysis based on the optical flow method was performed to measure the lateral displacements and estimate the shear strains. It is shown that besides improving the shear strength, the geosynthetic reinforcement leads a remarkable reduction on the shear strains. The improved layer reduces the required thickness of the soil layer to resist against shear stresses. Consequently, the geosynthetic reinforcement can be considered as a proper approach for the sustainable designs, especially in the projects with huge amount of geotechnical applications like subgrade of the pavements, roadways, and railways.Keywords: image processing, soil reinforcement, geosynthetics, simple shear test, shear strain profile
Procedia PDF Downloads 2185151 The Healing Effect of Unrestricted Somatic Stem Cells Loaded in Collagen-Modified Nanofibrous PHBV Scaffold on Full-Thickness Skin Defects
Authors: Hadi Rad
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Unrestricted somatic stem cells (USSCs) loaded in nanofibrous PHBV scaffold can be used for skin regeneration when grafted into full-thickness skin defects of rats. Nanofibrous PHBV scaffolds were designed using electrospinning method and then, modified with the immobilized collagen via the plasma method. Afterward, the scaffolds were evaluated using scanning electron microscopy, physical and mechanical assays. In this study; nanofibrous PHBV scaffolds loaded with and without USSCs were grafted into the skin defects. The wounds were subsequently investigated at 21 days after grafting. Results of mechanical and physical analyses showed good resilience and compliance to movement as a skin graft. In animal models; all study groups excluding the control group exhibited the most pronounced effect on wound closure, with the statistically significant improvement in wound healing being seen on post-operative Day 21. Histological and immunostaining examinations of healed wounds from all groups, especially the groups treated with stem cells, showed a thin epidermis plus recovered skin appendages in the dermal layer. Thus, the graft of collagen-coated nanofibrous PHBV scaffold loaded with USSC showed better results during the healing process of skin defects in rat model.Keywords: collagen, nanofibrous PHBV scaffold, unrestricted somatic stem cells, wound healing.
Procedia PDF Downloads 3595150 A Case-Study Analysis on the Necessity of Testing for Cyber Risk Mitigation on Maritime Transport
Authors: Polychronis Kapalidis
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In recent years, researchers have started to turn their attention to cyber security and maritime security independently, neglecting, in most cases, to examine the areas where these two critical issues are intertwined. The impact of cybersecurity issues on the maritime economy is emerging dramatically. Maritime transport and all related activities are conducted by technology-intensive platforms, which today rely heavily on information systems. The paper’s argument is that when no defense is completely effective against cyber attacks, it is vital to test responses to the inevitable incursions. Hence, preparedness in the form of testing existing cybersecurity structure via different tools for potential attacks is vital for minimizing risks. Traditional criminal activities may further be facilitated and evolved through the misuse of cyberspace. Kidnap, piracy, fraud, theft of cargo and imposition of ransomware are the major of these activities that mainly target the industry’s most valuable asset; the ship. The paper, adopting a case-study analysis, based on stakeholder consultation and secondary data analysis, namely policy and strategic-related documentation, presents the importance of holistic testing in the sector. Arguing that poor understanding of the issue leads to the adoption of ineffective policies the paper will present the level of awareness within the industry and assess the risks and vulnerabilities of ships to these cybercriminal activities. It will conclude by suggesting that testing procedures must be focused on three main pillars within the maritime transport sector: the human factor, the infrastructure, and the procedures.Keywords: cybercrime, cybersecurity, organized crime, risk mitigation
Procedia PDF Downloads 1565149 A Finite Element/Finite Volume Method for Dam-Break Flows over Deformable Beds
Authors: Alia Alghosoun, Ashraf Osman, Mohammed Seaid
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A coupled two-layer finite volume/finite element method was proposed for solving dam-break flow problem over deformable beds. The governing equations consist of the well-balanced two-layer shallow water equations for the water flow and a linear elastic model for the bed deformations. Deformations in the topography can be caused by a brutal localized force or simply by a class of sliding displacements on the bathymetry. This deformation in the bed is a source of perturbations, on the water surface generating water waves which propagate with different amplitudes and frequencies. Coupling conditions at the interface are also investigated in the current study and two mesh procedure is proposed for the transfer of information through the interface. In the present work a new procedure is implemented at the soil-water interface using the finite element and two-layer finite volume meshes with a conservative distribution of the forces at their intersections. The finite element method employs quadratic elements in an unstructured triangular mesh and the finite volume method uses the Rusanove to reconstruct the numerical fluxes. The numerical coupled method is highly efficient, accurate, well balanced, and it can handle complex geometries as well as rapidly varying flows. Numerical results are presented for several test examples of dam-break flows over deformable beds. Mesh convergence study is performed for both methods, the overall model provides new insight into the problems at minimal computational cost.Keywords: dam-break flows, deformable beds, finite element method, finite volume method, hybrid techniques, linear elasticity, shallow water equations
Procedia PDF Downloads 1785148 Studies on Physico-Chemical Properties of Indium Sulfide Films Deposited under Different Deposition Conditions by Chemical Bath Deposition
Authors: S. B. Bansode, V. G. Wagh, R. S. Kapadnis, S. S. Kale, M. Pathan Habib
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Indium sulfide films have been deposited using chemical bath deposition onto glass and indium tin oxide coated glass substrates. The influences of different deposition parameters viz. substrate and pH have been studied. The films were characterized by different techniques with respect to their crystal structure, surface morphology and compositional property by means of X-ray diffraction, scanning electron microscopy, Energy dispersive spectroscopy and optical absorption. X-ray diffraction studies revealed that amorphous nature of the films. The scanning electron microscopy of as deposited indium sulfide film on ITO coated glass substrate shows random orientation of grains where as those on glass substrates show dumbbell shape. Optical absorption study revealed that band gap varies from 2.29 to 2.79 eV for the deposited film.Keywords: chemical bath deposition, optical properties, structural property, Indium sulfide
Procedia PDF Downloads 4765147 Influence of Composite Adherents Properties on the Dynamic Behavior of Double Lap Bonded Joint
Authors: P. Saleh, G. Challita, R. Hazimeh, K. Khalil
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In this paper 3D FEM analysis was carried out on double lap bonded joint with composite adherents subjected to dynamic shear. The adherents are made of Carbon/Epoxy while the adhesive is epoxy Araldite 2031. The maximum average shear stress and the stress homogeneity in the adhesive layer were examined. Three fibers textures were considered: UD; 2.5D and 3D with same volume fiber then a parametric study based on changing the thickness and the type of fibers texture in 2.5D was accomplished. Moreover, adherents’ dissimilarity was also investigated. It was found that the main parameter influencing the behavior is the longitudinal stiffness of the adherents. An increase in the adherents’ longitudinal stiffness induces an increase in the maximum average shear stress in the adhesive layer and an improvement in the shear stress homogeneity within the joint. No remarkable improvement was observed for dissimilar adherents.Keywords: adhesive, composite adherents, impact shear, finite element
Procedia PDF Downloads 4415146 Similarity of the Disposition of the Electrostatic Potential of Tetrazole and Carboxylic Group to Investigate Their Bioisosteric Relationship
Authors: Alya A. Arabi
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Bioisosteres are functional groups that can be interchangeably used without affecting the potency of the drug. Bioisosteres have similar pharmacological properties. Bioisosterism is useful for modifying the physicochemical properties of a drug while obeying the Lipinski’s rules. Bioisosteres are key in optimizing the pharmacokinetic and pharmacodynamics properties of a drug. Tetrazole and carboxylate anions are non-classic bioisosteres. Density functional theory was used to obtain the wavefunction of the molecules and the optimized geometries. The quantum theory of atoms in molecules (QTAIM) was used to uncover the similarity of the average electron density in tetrazole and carboxylate anions. This similarity between the bioisosteres capped by a methyl group was valid despite the fact that the groups have different volumes, charges, energies, or electron populations. The biochemical correspondence of tetrazole and carboxylic acid was also determined to be a result of the similarity of the topography of the electrostatic potential (ESP). The ESP demonstrates the pharmacological and biochemical resemblance for a matching “key-and-lock” interaction.Keywords: bioisosteres, carboxylic acid, density functional theory, electrostatic potential, tetrazole
Procedia PDF Downloads 4335145 Direct Electrical Communication of Redox Enzyme Based on 3-Dimensional Crosslinked Redox Enzyme/Carbon Nanotube on a Thiol-Modified Au Surface
Authors: A. K. M. Kafi, S. N. Nina, Mashitah M. Yusoff
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In this work, we have described a new 3-dimensional (3D) network of crosslinked Horseradish Peroxidase/Carbon Nanotube (HRP/CNT) on a thiol-modified Au surface in order to build up the effective electrical wiring of the enzyme units with the electrode. This was achieved by the electropolymerization of aniline-functionalized carbon nanotubes (CNTs) and 4-aminothiophenol -modified-HRP on a 4-aminothiophenol monolayer-modified Au electrode. The synthesized 3D HRP/CNT networks were characterized with cyclic voltammetry and amperometry, resulting the establishment direct electron transfer between the redox active unit of HRP and the Au surface. Electrochemical measurements reveal that the immobilized HRP exhibits high biological activity and stability and a quasi-reversible redox peak of the redox center of HRP was observed at about −0.355 and −0.275 V vs. Ag/AgCl. The electron transfer rate constant, KS and electron transfer co-efficient were found to be 0.57 s-1 and 0.42, respectively. Based on the electrocatalytic process by direct electrochemistry of HRP, a biosensor for detecting H2O2 was developed. The developed biosensor exhibits excellent electrocatalytic activity for the reduction of H2O2. The proposed biosensor modified with HRP/CNT 3D network displays a broader linear range and a lower detection limit for H2O2 determination. The linear range is from 1.0×10−7 to 1.2×10−4M with a detection limit of 2.2.0×10−8M at 3σ. Moreover, this biosensor exhibits very high sensitivity, good reproducibility and long-time stability. In summary, ease of fabrication, a low cost, fast response and high sensitivity are the main advantages of the new biosensor proposed in this study. These obvious advantages would really help for the real analytical applicability of the proposed biosensor.Keywords: biosensor, nanomaterials, redox enzyme, thiol-modified Au surface
Procedia PDF Downloads 3295144 Influence of Thermal Radiation on MHD Micropolar Fluid Flow, Heat and Mass Transfer over Vertical Flat Plate
Authors: Alouaoui Redha, Ferhat Samira, Bouaziz Mohamed Najib
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In this work, we examine the thermal radiation effect on heat and mass transfer in steady laminar boundary layer flow of an incompressible viscous micropolar fluid over a vertical plate, with the presence of a magnetic field. Rosseland approximation is applied to describe the radiative heat flux in the energy equation. The resulting similarity equations are solved numerically. Many results are obtained and representative set is displayed graphically to illustrate the influence of the various parameters on different profiles. The conclusion is drawn that the flow field, temperature, concentration and microrotation as well as the skin friction coefficient and the both local Nusselt and local Sherwood numbers are significantly influenced by Magnetic parameter, material parameter and thermal radiation parameter.Keywords: MHD, micropolar fluid, thermal radiation, heat and mass transfer, boundary layer
Procedia PDF Downloads 4505143 Elastic Collisions of Electrons with DNA and Water From 10 eV to 100 KeV: Scar Macro Investigation
Authors: Aouina Nabila Yasmina, Zine El Abidine Chaoui
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Recently, understanding the interactions of electrons with the DNA molecule and its components has attracted considerable interest because DNA is the main site damaged by ionizing radiation. The interactions of radiation with DNA induce a variety of molecular damage such as single-strand breaks, double-strand breaks, basic damage, cross-links between proteins and DNA, and others, or the formation of free radicals, which, by chemical reactions with DNA, can also lead to breakage of the strand. One factor that can contribute significantly to these processes is the effect of water hydration on the formation and reaction of radiation induced by these radicals in and / or around DNA. B-DNA requires about 30% by weight of water to maintain its native conformation in the crystalline state. The transformation depends on various factors such as sequence, ion composition, concentration and water activity. Partial dehydration converts it to DNA-A. The present study shows the results of theoretical calculations for positrons and electrons elastic scattering with DNA medium and water over a broad energy range from 10 eV to 100 keV. Indeed, electron elastic cross sections and elastic mean free paths are calculated using a corrected form of the independent atom method, taking into account the geometry of the biomolecule (SCAR macro). Moreover, the elastic scattering of electrons and positrons by atoms of the biomolecule was evaluated by means of relativistic (Dirac) partial wave analysis. Our calculated results are compared with theoretical data available in the literature in the absence of experimental data, in particular for positron. As a central result, our electron elastic cross sections are in good agreement with existing theoretical data in the range of 10 eV to 1 keV.Keywords: elastic cross scrion, elastic mean free path, scar macro method, electron collision
Procedia PDF Downloads 605142 Comparative Electrochemical Studies of Enzyme-Based and Enzyme-less Graphene Oxide-Based Nanocomposite as Glucose Biosensor
Authors: Chetna Tyagi. G. B. V. S. Lakshmi, Ambuj Tripathi, D. K. Avasthi
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Graphene oxide provides a good host matrix for preparing nanocomposites due to the different functional groups attached to its edges and planes. Being biocompatible, it is used in therapeutic applications. As enzyme-based biosensor requires complicated enzyme purification procedure, high fabrication cost and special storage conditions, we need enzyme-less biosensors for use even in a harsh environment like high temperature, varying pH, etc. In this work, we have prepared both enzyme-based and enzyme-less graphene oxide-based biosensors for glucose detection using glucose-oxidase as enzyme and gold nanoparticles, respectively. These samples were characterized using X-ray diffraction, UV-visible spectroscopy, scanning electron microscopy, and transmission electron microscopy to confirm the successful synthesis of the working electrodes. Electrochemical measurements were performed for both the working electrodes using a 3-electrode electrochemical cell. Cyclic voltammetry curves showed the homogeneous transfer of electron on the electrodes in the scan range between -0.2V to 0.6V. The sensing measurements were performed using differential pulse voltammetry for the glucose concentration varying from 0.01 mM to 20 mM, and sensing was improved towards glucose in the presence of gold nanoparticles. Gold nanoparticles in graphene oxide nanocomposite played an important role in sensing glucose in the absence of enzyme, glucose oxidase, as evident from these measurements. The selectivity was tested by measuring the current response of the working electrode towards glucose in the presence of the other common interfering agents like cholesterol, ascorbic acid, citric acid, and urea. The enzyme-less working electrode also showed storage stability for up to 15 weeks, making it a suitable glucose biosensor.Keywords: electrochemical, enzyme-less, glucose, gold nanoparticles, graphene oxide, nanocomposite
Procedia PDF Downloads 1405141 Effect of Preoxidation on the Effectiveness of Gd₂O₃ Nanoparticles Applied as a Source of Active Element in the Crofer 22 APU Coated with a Protective-conducting Spinel Layer
Authors: Łukasz Mazur, Kamil Domaradzki, Maciej Bik, Tomasz Brylewski, Aleksander Gil
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Interconnects used in solid oxide fuel and electrolyzer cells (SOFCₛ/SOECs) serve several important functions, and therefore interconnect materials must exhibit certain properties. Their thermal expansion coefficient needs to match that of the ceramic components of these devices – the electrolyte, anode and cathode. Interconnects also provide structural rigidity to the entire device, which is why interconnect materials must exhibit sufficient mechanical strength at high temperatures. Gas-tightness is also a prerequisite since they separate gas reagents, and they also must provide very good electrical contact between neighboring cells over the entire operating time. High-chromium ferritic steels meets these requirements to a high degree but are affected by the formation of a Cr₂O₃ scale, which leads to increased electrical resistance. The final criterion for interconnect materials is chemical inertness in relation to the remaining cell components. In the case of ferritic steels, this has proved difficult due to the formation of volatile and reactive oxyhydroxides observed when Cr₂O3 is exposed to oxygen and water vapor. This process is particularly harmful on the cathode side in SOFCs and the anode side in SOECs. To mitigate this, protective-conducting ceramic coatings can be deposited on an interconnect's surface. The area-specific resistance (ASR) of a single interconnect cannot exceed 0.1 m-2 at any point of the device's operation. The rate at which the CrO₃ scale grows on ferritic steels can be reduced significantly via the so-called reactive element effect (REE). Research has shown that the deposition of Gd₂O₃ nanoparticles on the surface of the Crofer 22 APU, already modified using a protective-conducting spinel layer, further improves the oxidation resistance of this steel. However, the deposition of the manganese-cobalt spinel layer is a rather complex process and is performed at high temperatures in reducing and oxidizing atmospheres. There was thus reason to believe that this process may reduce the effectiveness of Gd₂O₃ nanoparticles added as an active element source. The objective of the present study was, therefore, to determine any potential impact by introducing a preoxidation stage after the nanoparticle deposition and before the steel is coated with the spinel. This should have allowed the nanoparticles to incorporate into the interior of the scale formed on the steel. Different samples were oxidized for 7000 h in air at 1073 K under quasi-isothermal conditions. The phase composition, chemical composition, and microstructure of the oxidation products formed on the samples were determined using X-ray diffraction, Raman spectroscopy, and scanning electron microscopy combined with energy-dispersive X-ray spectroscopy. A four-point, two-probe DC method was applied to measure ASR. It was found that coating deposition does indeed reduce the beneficial effect of Gd₂O₃ addition, since the smallest mass gain and the lowest ASR value were determined for the sample for which the additional preoxidation stage had been performed. It can be assumed that during this stage, gadolinium incorporates into and segregates at grain boundaries in the thin Cr₂O₃ that is forming. This allows the Gd₂O₃ nanoparticles to be a more effective source of the active element.Keywords: interconnects, oxide nanoparticles, reactive element effect, SOEC, SOFC
Procedia PDF Downloads 825140 Preparation and Visible Light Photoactivity of N-Doped ZnO/ZnS Photocatalysts
Authors: Nuray Güy, Mahmut Özacar
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Semiconductor nanoparticles such as TiO₂ and ZnO as photocatalysts are very efficient catalysts for wastewater treatment by the chemical utilization of light energy, which is capable of converting the toxic and nonbiodegradable organic compounds into carbon dioxide and mineral acids. ZnO semiconductor has a wide bandgap energy of 3.37 eV and a relatively large exciton binding Energy (60 meV), thus can absorb only UV light with the wavelength equal to or less than 385 nm. It exhibits low efficiency under visible light illumination due to its wide band gap energy. In order to improve photocatalytic activity of ZnO under visible light, band gap of ZnO may be narrowed by doping such as N, C, S nonmetal ions and coupled two separate semiconductors possessing different energy levels for their corresponding conduction and valence bands. ZnS has a wider band gap (Eg=3.7 eV) than ZnO and generates electron–hole pairs by photoexcitation rapidly. In the present work, N doped ZnO/ZnS nano photocatalysts with visible-light response were synthesized by microwave-hydrothermal method using thiourea as N source. The prepared photocatalysts were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM) and UV–visible (UV–vis). The photocatalytic activities samples and undoped ZnO have been studied for the degradation of dye, and have also been compared with together.Keywords: photocatalyst, synthesis, visible light, ZnO/ZnS
Procedia PDF Downloads 2815139 The Effect of a Saturated Kink on the Dynamics of Tungsten Impurities in the Plasma Core
Authors: H. E. Ferrari, R. Farengo, C. F. Clauser
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Tungsten (W) will be used in ITER as one of the plasma facing components (PFCs). The W could migrate to the plasma center. This could have a potentially deleterious effect on plasma confinement. Electron cyclotron resonance heating (ECRH) can be used to prevent W accumulation. We simulated a series of H mode discharges in ASDEX U with PFC containing W, where central ECRH was used to prevent W accumulation in the plasma center. The experiments showed that the W density profiles were flat after a sawtooth crash, and become hollow in between sawtooth crashes when ECRH has been applied. It was also observed that a saturated kink mode was active in these conditions. We studied the effect of saturated kink like instabilities on the redistribution of W impurities. The kink was modeled as the sum of a simple analytical equilibrium (large aspect ratio, circular cross section) plus the perturbation produced by the kink. A numerical code that follows the exact trajectories of the impurity ions in the total fields and includes collisions was employed. The code is written in Cuda C and runs in Graphical Processing Units (GPUs), allowing simulations with a large number of particles with modest resources. Our simulations show that when the W ions have a thermal velocity distribution, the kink has no effect on the W density. When we consider the plasma rotation, the kink can affect the W density. When the average passing frequency of the W particles is similar to the frequency of the kink mode, the expulsion of W ions from the plasma core is maximum, and the W density shows a hollow structure. This could have implications for the mitigation of W accumulation.Keywords: impurity transport, kink instability, tungsten accumulation, tungsten dynamics
Procedia PDF Downloads 1695138 Shape Optimization of a Hole for Water Jetting in a Spudcan for a Jack-Up Rig
Authors: Han Ik Park, Jeong Hyeon Seong, Dong Seop Han, Su-Chul Shin, Young Chul Park
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A Spudcan is mounted on the lower leg of the jack-up rig, a device for preventing a rollover of a structure and to support the structure in a stable sea floor. At the time of inserting the surface of the spud can to penetrate when the sand layer is stable and smoothly pulled to the clay layer, and at that time of recovery when uploading the spud can is equipped with a water injection device. In this study, it is significant to optimize the shape of pipelines holes for water injection device and it was set in two kinds of shape, the oval and round. Interpretation of the subject into the site of Gulf of Mexico offshore Wind Turbine Installation Vessels (WTIV)was chosen as a target platform. Using the ANSYS Workbench commercial programs, optimal design was conducted. The results of this study can be applied to the hole-shaped design of various marine structures.Keywords: kriging method, jack-up rig, shape optimization, spudcan
Procedia PDF Downloads 5075137 All-Optical Gamma-Rays and Positrons Source by Ultra-Intense Laser Irradiating an Al Cone
Authors: T. P. Yu, J. J. Liu, X. L. Zhu, Y. Yin, W. Q. Wang, J. M. Ouyang, F. Q. Shao
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A strong electromagnetic field with E>1015V/m can be supplied by an intense laser such as ELI and HiPER in the near future. Exposing in such a strong laser field, laser-matter interaction enters into the near quantum electrodynamics (QED) regime and highly non-linear physics may occur during the laser-matter interaction. Recently, the multi-photon Breit-Wheeler (BW) process attracts increasing attention because it is capable to produce abundant positrons and it enhances the positron generation efficiency significantly. Here, we propose an all-optical scheme for bright gamma rays and dense positrons generation by irradiating a 1022 W/cm2 laser pulse onto an Al cone filled with near-critical-density plasmas. Two-dimensional (2D) QED particle-in-cell (PIC) simulations show that, the radiation damping force becomes large enough to compensate for the Lorentz force in the cone, causing radiation-reaction trapping of a dense electron bunch in the laser field. The trapped electrons oscillate in the laser electric field and emits high-energy gamma photons in two ways: (1) nonlinear Compton scattering due to the oscillation of electrons in the laser fields, and (2) Compton backwardscattering resulting from the bunch colliding with the reflected laser by the cone tip. The multi-photon Breit-Wheeler process is thus initiated and abundant electron-positron pairs are generated with a positron density ~1027m-3. The scheme is finally demonstrated by full 3D PIC simulations, which indicate the positron flux is up to 109. This compact gamma ray and positron source may have promising applications in future.Keywords: BW process, electron-positron pairs, gamma rays emission, ultra-intense laser
Procedia PDF Downloads 2585136 Numerical Design and Characterization of SiC Single Crystals Obtained with PVT Method
Authors: T. Wejrzanowski, M. Grybczuk, E. Tymicki, K. J. Kurzydlowski
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In the present study, numerical simulations of heat and mass transfer in Physical Vapor Transport reactor during silicon carbide single crystal growth are addressed. Silicon carbide is a wide bandgap material with unique properties making it highly applicable for high power electronics applications. Because of high manufacturing costs improvements of SiC production process are required. In this study, numerical simulations were used as a tool of process optimization. Computer modeling allows for cost and time effective analysis of processes occurring during SiC single crystal growth and provides essential information needed for improvement of the process. Quantitative relationship between process conditions, such as temperature or pressure, and crystal growth rate and shape of crystallization front have been studied and verified using experimental data. Basing on modeling results, several process improvements were proposed and implemented.Keywords: Finite Volume Method, semiconductors, Physica Vapor Transport, silicon carbide
Procedia PDF Downloads 4975135 Thermal Annealing Effects on Minority Carrier Lifetime in GaInAsSb/GaSb by Means of Photothermal Defletion Technique
Authors: Souha Bouagila, Soufiene Ilahi
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Photothermal deflection technique PTD have been employed to study the impact of thermal annealing on minority carrier in GaInAsSb grown on GaSb substarte, which used as an active layer for Vertical Cavity Surface Emitting laser (VCSEL). Photothermal defelction technique is nondescructive and accurate technique for electronics parameters determination. The measure of non-radiative recombination, electronic diffusivity, surface and interface recombination are effectuated by fitting the theoretical PTD signal to the experimental ones. As a results, we have found that Non-radiative lifetime increases from 3.8 µs (± 3, 9 %) for not annealed GaInAsSb to the 7.1 µs (± 5, 7%). In fact, electronic diffusivity D increased from 60.1 (± 3.9 %) to 89.6 cm2 / s (± 2.7%) for the as grown to that annealed for 60 min respectively. We have remarked that surface recombination velocity (SRV) decreases from 7963 m / s (± 6.3%) to 1450 m / s (± 3.6).Keywords: nonradiative lifetime, mobility of minority carrier, diffusion length, Surface and interface recombination velocity.GaInAsSb active layer
Procedia PDF Downloads 685134 Travel Time Estimation of Public Transport Networks Based on Commercial Incidence Areas in Quito Historic Center
Authors: M. Fernanda Salgado, Alfonso Tierra, David S. Sandoval, Wilbert G. Aguilar
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Public transportation buses usually vary the speed depending on the places with the number of passengers. They require having efficient travel planning, a plan that will help them choose the fast route. Initially, an estimation tool is necessary to determine the travel time of each route, clearly establishing the possibilities. In this work, we give a practical solution that makes use of a concept that defines as areas of commercial incidence. These areas are based on the hypothesis that in the commercial places there is a greater flow of people and therefore the buses remain more time in the stops. The areas have one or more segments of routes, which have an incidence factor that allows to estimate the times. In addition, initial results are presented that verify the hypotheses and that promise adequately the travel times. In a future work, we take this approach to make an efficient travel planning system.Keywords: commercial incidence, planning, public transport, speed travel, travel time
Procedia PDF Downloads 251