Search results for: single phase work
19746 Autonomous Ground Vehicle Navigation Based on a Single Camera and Image Processing Methods
Authors: Auday Al-Mayyahi, Phil Birch, William Wang
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A vision system-based navigation for autonomous ground vehicle (AGV) equipped with a single camera in an indoor environment is presented. A proposed navigation algorithm has been utilized to detect obstacles represented by coloured mini- cones placed in different positions inside a corridor. For the recognition of the relative position and orientation of the AGV to the coloured mini cones, the features of the corridor structure are extracted using a single camera vision system. The relative position, the offset distance and steering angle of the AGV from the coloured mini-cones are derived from the simple corridor geometry to obtain a mapped environment in real world coordinates. The corridor is first captured as an image using the single camera. Hence, image processing functions are then performed to identify the existence of the cones within the environment. Using a bounding box surrounding each cone allows to identify the locations of cones in a pixel coordinate system. Thus, by matching the mapped and pixel coordinates using a projection transformation matrix, the real offset distances between the camera and obstacles are obtained. Real time experiments in an indoor environment are carried out with a wheeled AGV in order to demonstrate the validity and the effectiveness of the proposed algorithm.Keywords: autonomous ground vehicle, navigation, obstacle avoidance, vision system, single camera, image processing, ultrasonic sensor
Procedia PDF Downloads 30219745 CsPbBr₃@MOF-5-Based Single Drop Microextraction for in-situ Fluorescence Colorimetric Detection of Dechlorination Reaction
Authors: Yanxue Shang, Jingbin Zeng
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Chlorobenzene homologues (CBHs) are a category of environmental pollutants that can not be ignored. They can stay in the environment for a long period and are potentially carcinogenic. The traditional degradation method of CBHs is dechlorination followed by sample preparation and analysis. This is not only time-consuming and laborious, but the detection and analysis processes are used in conjunction with large-scale instruments. Therefore, this can not achieve rapid and low-cost detection. Compared with traditional sensing methods, colorimetric sensing is simpler and more convenient. In recent years, chromaticity sensors based on fluorescence have attracted more and more attention. Compared with sensing methods based on changes in fluorescence intensity, changes in color gradients are easier to recognize by the naked eye. Accordingly, this work proposes to use single drop microextraction (SDME) technology to solve the above problems. After the dechlorination reaction was completed, the organic droplet extracts Cl⁻ and realizes fluorescence colorimetric sensing at the same time. This method was integrated sample processing and visual in-situ detection, simplifying the detection process. As a fluorescence colorimetric sensor material, CsPbBr₃ was encapsulated in MOF-5 to construct CsPbBr₃@MOF-5 fluorescence colorimetric composite. Then the fluorescence colorimetric sensor was constructed by dispersing the composite in SDME organic droplets. When the Br⁻ in CsPbBr₃ exchanges with Cl⁻ produced by the dechlorination reactions, it is converted into CsPbCl₃. The fluorescence color of the single droplet of SDME will change from green to blue emission, thereby realizing visual observation. Therein, SDME can enhance the concentration and enrichment of Cl⁻ and instead of sample pretreatment. The fluorescence color change of CsPbBr₃@MOF-5 can replace the detection process of large-scale instruments to achieve real-time rapid detection. Due to the absorption ability of MOF-5, it can not only improve the stability of CsPbBr₃, but induce the adsorption of Cl⁻. Simultaneously, accelerate the exchange of Br- and Cl⁻ in CsPbBr₃ and the detection process of Cl⁻. The absorption process was verified by density functional theory (DFT) calculations. This method exhibits exceptional linearity for Cl⁻ in the range of 10⁻² - 10⁻⁶ M (10000 μM - 1 μM) with a limit of detection of 10⁻⁷ M. Whereafter, the dechlorination reactions of different kinds of CBHs were also carried out with this method, and all had satisfactory detection ability. Also verified the accuracy by gas chromatography (GC), and it was found that the SDME we developed in this work had high credibility. In summary, the in-situ visualization method of dechlorination reaction detection was a combination of sample processing and fluorescence colorimetric sensing. Thus, the strategy researched herein represents a promising method for the visual detection of dechlorination reactions and can be extended for applications in environments, chemical industries, and foods.Keywords: chlorobenzene homologues, colorimetric sensor, metal halide perovskite, metal-organic frameworks, single drop microextraction
Procedia PDF Downloads 14319744 Defining New Limits in Hybrid Perovskites: Single-Crystal Solar Cells with Exceptional Electron Diffusion Length Reaching Half Millimeters
Authors: Bekir Turedi
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Exploiting the potential of perovskite single-crystal solar cells in optoelectronic applications necessitates overcoming a significant challenge: the low charge collection efficiency at increased thickness, which has restricted their deployment in radiation detectors and nuclear batteries. Our research details a promising approach to this problem, wherein we have successfully fabricated single-crystal MAPbI3 solar cells employing a space-limited inverse temperature crystallization (ITC) methodology. Remarkably, these cells, up to 400-fold thicker than current-generation perovskite polycrystalline films, maintain a high charge collection efficiency even without external bias. The crux of this achievement lies in the long electron diffusion length within these cells, estimated to be around 0.45 mm. This extended diffusion length ensures the conservation of high charge collection and power conversion efficiencies, even as the thickness of the cells increases. Fabricated cells at 110, 214, and 290 µm thickness manifested power conversion efficiencies (PCEs) of 20.0, 18.4, and 14.7% respectively. The single crystals demonstrated nearly optimal charge collection, even when their thickness exceeded 200 µm. Devices of thickness 108, 214, and 290 µm maintained 98.6, 94.3, and 80.4% of charge collection efficiency relative to their maximum theoretical short-circuit current value, respectively. Additionally, we have proposed an innovative, self-consistent technique for ascertaining the electron-diffusion length in perovskite single crystals under operational conditions. The computed electron-diffusion length approximated 446 µm, significantly surpassing previously reported values for this material. In conclusion, our findings underscore the feasibility of fabricating halide perovskite single-crystal solar cells of hundreds of micrometers in thickness while preserving high charge extraction efficiency and PCE. This advancement paves the way for developing perovskite-based optoelectronics necessitating thicker active layers, such as X-ray detectors and nuclear batteries.Keywords: perovskite, solar cell, single crystal, diffusion length
Procedia PDF Downloads 5219743 CFD Modeling of Boiling in a Microchannel Based On Phase-Field Method
Authors: Rahim Jafari, Tuba Okutucu-Özyurt
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The hydrodynamics and heat transfer characteristics of a vaporized elongated bubble in a rectangular microchannel have been simulated based on Cahn-Hilliard phase-field method. In the simulations, the initially nucleated bubble starts growing as it comes in contact with superheated water. The growing shape of the bubble compared with the available experimental data in the literature.Keywords: microchannel, boiling, Cahn-Hilliard method, simulation
Procedia PDF Downloads 42419742 TiO2 Formation after Nanotubes Growth on Ti-15Mo Alloy Surface for Different Annealing Temperatures
Authors: A. L. R. Rangel, J. A. M. Chaves, A. P. R. Alves Claro
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Surface modification of titanium and its alloys using TiO2 nanotube growth has been widely studied for biomedical field due to excellent interaction between implant and biological environment. The success of this treatment is directly related to anatase phase formation (TiO2 phase) which affects the cells growth. The aim of this study was to evaluate the phases formed in the nanotubes growth on the Ti-15Mo surface. Nanotubes were grown by electrochemical anodization of the alloy in ammonium fluoride based glycerol electrolyte for 24 hours at 20V. Then, the samples were annealed at 200°,400°, 450°, 500°, 600°, and 800° C for 1 hour. Contact angles measurements, scanning electron microscopy images and X rays diffraction analysis (XRD) were carried out for all samples. Raman Spectroscopy was used to evaluate TiO2 phases transformation in nanotubes samples as well. The results of XRD showed anatase formation for lower temperatures, while at 800 ° C the rutile phase was observed all over the surface. Raman spectra indicate that this phase transition occurs between 500 and 600 °C. The different phases formed have influenced the nanotubes morphologies, since higher annealing temperatures induced agglutination of the TiO2 layer, disrupting the tubular structure. On the other hand, the nanotubes drastically reduced the contact angle, regardless the annealing temperature.Keywords: nanotubes, TiO2, titanium alloys, Ti-15Mo
Procedia PDF Downloads 38419741 Preparation of Nano-Scaled linbo3 by Polyol Method
Authors: Gabriella Dravecz, László Péter, Zsolt Kis
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Abstract— The growth of optical LiNbO3 single crystal and its physical and chemical properties are well known on the macroscopic scale. Nowadays the rare-earth doped single crystals became important for coherent quantum optical experiments: electromagnetically induced transparency, slow down of light pulses, coherent quantum memory. The expansion of applications is increasingly requiring the production of nano scaled LiNbO3 particles. For example, rare-earth doped nanoscaled particles of lithium niobate can be act like single photon source which can be the bases of a coding system of the quantum computer providing complete inaccessibility to strangers. The polyol method is a chemical synthesis where oxide formation occurs instead of hydroxide because of the high temperature. Moreover the polyol medium limits the growth and agglomeration of the grains producing particles with the diameter of 30-200 nm. In this work nano scaled LiNbO3 was prepared by the polyol method. The starting materials (niobium oxalate and LiOH) were diluted in H2O2. Then it was suspended in ethylene glycol and heated up to about the boiling point of the mixture with intensive stirring. After the thermal equilibrium was reached, the mixture was kept in this temperature for 4 hours. The suspension was cooled overnight. The mixture was centrifuged and the particles were filtered. Dynamic Light Scattering (DLS) measurement was carried out and the size of the particles were found to be 80-100 nms. This was confirmed by Scanning Electron Microscope (SEM) investigations. The element analysis of SEM showed large amount of Nb in the sample. The production of LiNbO3 nano particles were succesful by the polyol method. The agglomeration of the particles were avoided and the size of 80-100nm could be reached.Keywords: lithium-niobate, nanoparticles, polyol, SEM
Procedia PDF Downloads 13419740 Modeling Aggregation of Insoluble Phase in Reactors
Authors: A. Brener, B. Ismailov, G. Berdalieva
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In the paper we submit the modification of kinetic Smoluchowski equation for binary aggregation applying to systems with chemical reactions of first and second orders in which the main product is insoluble. The goal of this work is to create theoretical foundation and engineering procedures for calculating the chemical apparatuses in the conditions of joint course of chemical reactions and processes of aggregation of insoluble dispersed phases which are formed in working zones of the reactor.Keywords: binary aggregation, clusters, chemical reactions, insoluble phases
Procedia PDF Downloads 30719739 Ultrasonic Studies of Polyurea Elastomer Composites with Inorganic Nanoparticles
Authors: V. Samulionis, J. Banys, A. Sánchez-Ferrer
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Inorganic nanoparticles are used for fabrication of various composites based on polymer materials because they exhibit a good homogeneity and solubility of the composite material. Multifunctional materials based on composites of a polymer containing inorganic nanotubes are expected to have a great impact on industrial applications in the future. An emerging family of such composites are polyurea elastomers with inorganic MoS2 nanotubes or MoSI nanowires. Polyurea elastomers are a new kind of materials with higher performance than polyurethanes. The improvement of mechanical, chemical and thermal properties is due to the presence of hydrogen bonds between the urea motives which can be erased at high temperature softening the elastomeric network. Such materials are the combination of amorphous polymers above glass transition and crosslinkers which keep the chains into a single macromolecule. Polyurea exhibits a phase separated structure with rigid urea domains (hard domains) embedded in a matrix of flexible polymer chains (soft domains). The elastic properties of polyurea can be tuned over a broad range by varying the molecular weight of the components, the relative amount of hard and soft domains, and concentration of nanoparticles. Ultrasonic methods as non-destructive techniques can be used for elastomer composites characterization. In this manner, we have studied the temperature dependencies of the longitudinal ultrasonic velocity and ultrasonic attenuation of these new polyurea elastomers and composites with inorganic nanoparticles. It was shown that in these polyurea elastomers large ultrasonic attenuation peak and corresponding velocity dispersion exists at 10 MHz frequency below room temperature and this behaviour is related to glass transition Tg of the soft segments in the polymer matrix. The relaxation parameters and Tg depend on the segmental molecular weight of the polymer chains between crosslinking points, the nature of the crosslinkers in the network and content of MoS2 nanotubes or MoSI nanowires. The increase of ultrasonic velocity in composites modified by nanoparticles has been observed, showing the reinforcement of the elastomer. In semicrystalline polyurea elastomer matrices, above glass transition, the first order phase transition from quasi-crystalline to the amorphous state has been observed. In this case, the sharp ultrasonic velocity and attenuation anomalies were observed near the transition temperature TC. Ultrasonic attenuation maximum related to glass transition was reduced in quasicrystalline polyureas indicating less influence of soft domains below TC. The first order phase transition in semicrystalline polyurea elastomer samples has large temperature hysteresis (> 10 K). The impact of inorganic MoS2 nanotubes resulted in the decrease of the first order phase transition temperature in semicrystalline composites.Keywords: inorganic nanotubes, polyurea elastomer composites, ultrasonic velocity, ultrasonic attenuation
Procedia PDF Downloads 30119738 An Automatic Generating Unified Modelling Language Use Case Diagram and Test Cases Based on Classification Tree Method
Authors: Wassana Naiyapo, Atichat Sangtong
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The processes in software development by Object Oriented methodology have many stages those take time and high cost. The inconceivable error in system analysis process will affect to the design and the implementation process. The unexpected output causes the reason why we need to revise the previous process. The more rollback of each process takes more expense and delayed time. Therefore, the good test process from the early phase, the implemented software is efficient, reliable and also meet the user’s requirement. Unified Modelling Language (UML) is the tool which uses symbols to describe the work process in Object Oriented Analysis (OOA). This paper presents the approach for automatically generated UML use case diagram and test cases. UML use case diagram is generated from the event table and test cases are generated from use case specifications and Graphic User Interfaces (GUI). Test cases are derived from the Classification Tree Method (CTM) that classify data to a node present in the hierarchy structure. Moreover, this paper refers to the program that generates use case diagram and test cases. As the result, it can reduce work time and increase efficiency work.Keywords: classification tree method, test case, UML use case diagram, use case specification
Procedia PDF Downloads 16219737 Practical Experiences in the Development of a Lab-Scale Process for the Production and Recovery of Fucoxanthin
Authors: Alma Gómez-Loredo, José González-Valdez, Jorge Benavides, Marco Rito-Palomares
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Fucoxanthin is a carotenoid that exerts multiple beneficial effects on human health, including antioxidant, anti-cancer, antidiabetic and anti-obesity activity; making the development of a whole process for its production and recovery an important contribution. In this work, the lab-scale production and purification of fucoxanthin in Isocrhysis galbana have been studied. In batch cultures, low light intensities (13.5 μmol/m2s) and bubble agitation were the best conditions for production of the carotenoid with product yields of up to 0.143 mg/g. After fucoxanthin ethanolic extraction from biomass and hexane partition, further recovery and purification of the carotenoid has been accomplished by means of alcohol – salt Aqueous Two-Phase System (ATPS) extraction followed by an ultrafiltration (UF) step. An ATPS comprised of ethanol and potassium phosphate (Volume Ratio (VR) =3; Tie-line Length (TLL) 60% w/w) presented a fucoxanthin recovery yield of 76.24 ± 1.60% among the studied systems and was able to remove 64.89 ± 2.64% of the carotenoid and chlorophyll pollutants. For UF, the addition of ethanol to the original recovered ethanolic ATPS stream to a final relation of 74.15% (w/w) resulted in a reduction of approximately 16% of the protein contents, increasing product purity with a recovery yield of about 63% of the compound in the permeate stream. Considering the production, extraction and primary recovery (ATPS and UF) steps, around a 45% global fucoxanthin recovery should be expected. Although other purification technologies, such as Centrifugal Partition Chromatography are able to obtain fucoxanthin recoveries of up to 83%, the process developed in the present work does not require large volumes of solvents or expensive equipment. Moreover, it has a potential for scale up to commercial scale and represents a cost-effective strategy when compared to traditional separation techniques like chromatography.Keywords: aqueous two-phase systems, fucoxanthin, Isochrysis galbana, microalgae, ultrafiltration
Procedia PDF Downloads 42419736 Layouting for Phase II of New Priok Project Using Adaptive Port Planning Frameworks
Authors: Mustarakh Gelfi, Poonam Taneja, Tiedo Vellinga, Delon Hamonangan
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The initial masterplan of New Priok in the Port of Tanjung Priok was developed in 2012 is being updated to cater to new developments and new demands. In the new masterplan (2017), Phase II of development will start from 2035-onwards, depending on the future conditions. This study is about creating a robust masterplan for Phase II, which will remain functional under future uncertainties. The methodology applied in this study is scenario-based planning in the framework of Adaptive Port Planning (APP). Scenario-based planning helps to open up the perspective of the future as a horizon of possibilities. The scenarios are built around two major uncertainties in a 2x2 matrix approach. The two major uncertainties for New Priok port are economics and sustainability awareness. The outcome is four plausible scenarios: Green Port, Business As Usual, Moderate Expansion, and No Expansion. Terminal needs in each scenario are analyzed through traffic analysis and identifying the key cargos and commodities. In conclusion, this study gives the wide perspective for Port of Tanjung Priok for the planning Phase II of the development. The port has to realize that uncertainties persevere and are very likely to influence the decision making as to the future layouts. Instead of ignoring uncertainty, the port needs to make the action plans to deal with these uncertainties.Keywords: Indonesia Port, port's layout, port planning, scenario-based planning
Procedia PDF Downloads 53419735 Application of Deep Learning in Top Pair and Single Top Quark Production at the Large Hadron Collider
Authors: Ijaz Ahmed, Anwar Zada, Muhammad Waqas, M. U. Ashraf
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We demonstrate the performance of a very efficient tagger applies on hadronically decaying top quark pairs as signal based on deep neural network algorithms and compares with the QCD multi-jet background events. A significant enhancement of performance in boosted top quark events is observed with our limited computing resources. We also compare modern machine learning approaches and perform a multivariate analysis of boosted top-pair as well as single top quark production through weak interaction at √s = 14 TeV proton-proton Collider. The most relevant known background processes are incorporated. Through the techniques of Boosted Decision Tree (BDT), likelihood and Multlayer Perceptron (MLP) the analysis is trained to observe the performance in comparison with the conventional cut based and count approachKeywords: top tagger, multivariate, deep learning, LHC, single top
Procedia PDF Downloads 11119734 DNpro: A Deep Learning Network Approach to Predicting Protein Stability Changes Induced by Single-Site Mutations
Authors: Xiao Zhou, Jianlin Cheng
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A single amino acid mutation can have a significant impact on the stability of protein structure. Thus, the prediction of protein stability change induced by single site mutations is critical and useful for studying protein function and structure. Here, we presented a deep learning network with the dropout technique for predicting protein stability changes upon single amino acid substitution. While using only protein sequence as input, the overall prediction accuracy of the method on a standard benchmark is >85%, which is higher than existing sequence-based methods and is comparable to the methods that use not only protein sequence but also tertiary structure, pH value and temperature. The results demonstrate that deep learning is a promising technique for protein stability prediction. The good performance of this sequence-based method makes it a valuable tool for predicting the impact of mutations on most proteins whose experimental structures are not available. Both the downloadable software package and the user-friendly web server (DNpro) that implement the method for predicting protein stability changes induced by amino acid mutations are freely available for the community to use.Keywords: bioinformatics, deep learning, protein stability prediction, biological data mining
Procedia PDF Downloads 46819733 Thermo-Mechanical Analysis of Dissimilar Al/Cu Foil Single Lap Joints Made by Composite Metal Foil Manufacturing
Authors: Javaid Butt, Habtom Mebrahtu, Hassan Shirvani
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The paper presents a new additive manufacturing process for the production of metal and composite parts. It is termed as composite metal foil manufacturing and is a combination of laminated object manufacturing and brazing techniques. The process has been described in detail and is being used to produce dissimilar aluminum to copper foil single lap joints. A three dimensional finite element model has been developed to study the thermo-mechanical characteristics of the dissimilar Al/Cu single lap joint. The effects of thermal stress and strain have been analyzed by carrying out transient thermal analysis on the heated plates used to join the two 0.1mm thin metal foils. Tensile test has been carried out on the foils before joining and after the single Al/Cu lap joints are made, they are subjected to tensile lap-shear test to analyze the effect of heat on the foils. The analyses are designed to assess the mechanical integrity of the foils after the brazing process and understand whether or not the heat treatment has an effect on the fracture modes of the produced specimens.Keywords: brazing, laminated object manufacturing, tensile lap-shear test, thermo-mechanical analysis
Procedia PDF Downloads 34219732 Experimental and Numerical Investigation on Deformation Behaviour of Single Crystal Copper
Authors: Suman Paik, P. V. Durgaprasad, Bijan K. Dutta
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A study combining experimental and numerical investigation on the deformation behaviour of single crystals of copper is presented in this paper. Cylindrical samples were cut in specific orientations from high purity copper single crystal and subjected to uniaxial compression loading at quasi-static strain rate. The stress-strain curves along two different crystallographic orientations were then extracted. In order to study and compare the deformation responses, a single crystal plasticity model incorporating non-Schmid effects was developed assuming cross-slip plays an important role in orientation of the material. By making use of crystal plasticity finite element method, the model was applied to investigate the orientation dependence of the stress-strain behaviour of two crystallographic orientations. Finally, details of slip activities of deformed crystals were investigated by linking the orientation of slip lines with the theoretical traces of possible crystallographic planes. The experimentally determined active slip modes were matched with those determined by simulations.Keywords: crystal plasticity, modelling, non-Schmid effects, finite elements, finite strain
Procedia PDF Downloads 21319731 Molecular Dynamics Simulations of the Structural, Elastic and Thermodynamic Properties of Cubic GaBi
Authors: M. Zemouli, K. Amara, M. Elkeurti, Y. Benallou
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We present the molecular dynamic simulations results of the structural and dynamical properties of the zinc-blende GaBi over a wide range of temperature (300-1000) K. Our simulation where performed in the framework of the three-body Tersoff potential, which accurately reproduces the lattice constants and elastic constants of the GaBi. A good agreement was found between our calculated results and the available theoretical data of the lattice constant, the bulk modulus and the cohesive energy. Our study allows us to predict the thermodynamic properties such as the specific heat and the lattice thermal expansion. In addition, this method allows us to check its ability to predict the phase transition of this compound. In particular, the transition pressure to the rock-salt phase is calculated and the results are compared with other available works.Keywords: Gallium compounds, molecular dynamics simulations, interatomic potential thermodynamic properties, structural phase transition
Procedia PDF Downloads 44519730 Superamolecular Chemistry and Packing of FAMEs in the Liquid Phase for Optimization of Combustion and Emission
Authors: Zeev Wiesman, Paula Berman, Nitzan Meiri, Charles Linder
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Supramolecular chemistry refers to the domain of chemistry beyond that of molecules and focuses on the chemical systems made up of a discrete number of assembled molecular sub units or components. Biodiesel components self arrangements is closely related/affect their physical properties in combustion systems and emission. Due to technological difficulties, knowledge regarding the molecular packing of FAMEs (biodiesel) in the liquid phase is limited. Spectral tools such as X-ray and NMR are known to provide evidences related to molecular structure organization. Recently, it was reported by our research group that using 1H Time Domain NMR methodology based on relaxation time and self diffusion coefficients, FAMEs clusters with different motilities can be accurately studied in the liquid phase. Head to head dimarization with quasi-smectic clusters organization, based on molecular motion analysis, was clearly demonstrated. These findings about the assembly/packing of the FAME components are directly associated with fluidity/viscosity of the biodiesel. Furthermore, these findings may provide information of micro/nano-particles that are formed in the delivery and injection system of various combustion systems (affected by thermodynamic conditions). Various relevant parameters to combustion such as: distillation/Liquid Gas phase transition, cetane number/ignition delay, shoot, oxidation/NOX emission maybe predicted. These data may open the window for further optimization of FAME/diesel mixture in terms of combustion and emission.Keywords: supermolecular chemistry, FAMEs, liquid phase, fluidity, LF-NMR
Procedia PDF Downloads 34119729 A Double Acceptance Sampling Plan for Truncated Life Test Having Exponentiated Transmuted Weibull Distribution
Authors: A. D. Abdellatif, A. N. Ahmed, M. E. Abdelaziz
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The main purpose of this paper is to design a double acceptance sampling plan under the time truncated life test when the product lifetime follows an exponentiated transmuted Weibull distribution. Here, the motive is to meet both the consumer’s risk and producer’s risk simultaneously at the specified quality levels, while the termination time is specified. A comparison between the results of the double and single acceptance sampling plans is conducted. We demonstrate the applicability of our results to real data sets.Keywords: double sampling plan, single sampling plan, producer’s risk, consumer’s risk, exponentiated transmuted weibull distribution, time truncated experiment, single, double, Marshal-Olkin
Procedia PDF Downloads 48719728 Structure Clustering for Milestoning Applications of Complex Conformational Transitions
Authors: Amani Tahat, Serdal Kirmizialtin
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Trajectory fragment methods such as Markov State Models (MSM), Milestoning (MS) and Transition Path sampling are the prime choice of extending the timescale of all atom Molecular Dynamics simulations. In these approaches, a set of structures that covers the accessible phase space has to be chosen a priori using cluster analysis. Structural clustering serves to partition the conformational state into natural subgroups based on their similarity, an essential statistical methodology that is used for analyzing numerous sets of empirical data produced by Molecular Dynamics (MD) simulations. Local transition kernel among these clusters later used to connect the metastable states using a Markovian kinetic model in MSM and a non-Markovian model in MS. The choice of clustering approach in constructing such kernel is crucial since the high dimensionality of the biomolecular structures might easily confuse the identification of clusters when using the traditional hierarchical clustering methodology. Of particular interest, in the case of MS where the milestones are very close to each other, accurate determination of the milestone identity of the trajectory becomes a challenging issue. Throughout this work we present two cluster analysis methods applied to the cis–trans isomerism of dinucleotide AA. The choice of nucleic acids to commonly used proteins to study the cluster analysis is two fold: i) the energy landscape is rugged; hence transitions are more complex, enabling a more realistic model to study conformational transitions, ii) Nucleic acids conformational space is high dimensional. A diverse set of internal coordinates is necessary to describe the metastable states in nucleic acids, posing a challenge in studying the conformational transitions. Herein, we need improved clustering methods that accurately identify the AA structure in its metastable states in a robust way for a wide range of confused data conditions. The single linkage approach of the hierarchical clustering available in GROMACS MD-package is the first clustering methodology applied to our data. Self Organizing Map (SOM) neural network, that also known as a Kohonen network, is the second data clustering methodology. The performance comparison of the neural network as well as hierarchical clustering method is studied by means of computing the mean first passage times for the cis-trans conformational rates. Our hope is that this study provides insight into the complexities and need in determining the appropriate clustering algorithm for kinetic analysis. Our results can improve the effectiveness of decisions based on clustering confused empirical data in studying conformational transitions in biomolecules.Keywords: milestoning, self organizing map, single linkage, structure clustering
Procedia PDF Downloads 22419727 Airplane Stability during Climb/Descend Phase Using a Flight Dynamics Simulation
Authors: Niloufar Ghoreishi, Ali Nekouzadeh
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The stability of the flight during maneuvering and in response to probable perturbations is one of the most essential features of an aircraft that should be analyzed and designed for. In this study, we derived the non-linear governing equations of aircraft dynamics during the climb/descend phase and simulated a model aircraft. The corresponding force and moment dimensionless coefficients of the model and their variations with elevator angle and other relevant aerodynamic parameters were measured experimentally. The short-period mode and phugoid mode response were simulated by solving the governing equations numerically and then compared with the desired stability parameters for the particular level, category, and class of the aircraft model. To meet the target stability, a controller was designed and used. This resulted in significant improvement in the stability parameters of the flight.Keywords: flight stability, phugoid mode, short period mode, climb phase, damping coefficient
Procedia PDF Downloads 17119726 Protection from Risks of Natural Disasters and Social and Economic Support to the Native Population
Authors: Maria Angela Bedini, Fabio Bronzini
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The risk of natural disasters affects all the countries of the world, whether it refers to seismic events or tsunamis or hydrogeological disasters. In most cases, the risk can be considered in its three components: hazard, exposure, vulnerability (and urban vulnerability). The aim of this paper is to evaluate how the Italian scientific community has related the contribution of these three components, superimposing the three different maps that summarize the fundamental structure of the risk. Based on the three components considered, the study applies the Regional Planning methodology on the three phases of the risk protection and mitigation process: the prevention phase, the emergency intervention phase, the post-disaster phase. The paper illustrates the Italian experience of the pre-during-post-earthquake intervention. Main results: The study deepens these aspects in the belief that “a historical center” and an “island” can present similar problems at the international level, both in the phase of prevention (earthquake, tsunamis, hydrogeological disasters), in emergency phase (protocols and procedures of intervention) and in the post-disaster phase. The conclusions of the research identify the need to plan in advance how to deal with the post-disaster phase and consider it a priority with respect to the simple reconstruction of destroyed buildings. In fact the main result of the post-disaster intervention must be the return and the social and economic support of the indigenous population, and not only the construction of new housing and equipment. In this sense, the results of the research show that the elderly inhabitants of a historic center can be compared to the indigenous population of an atoll of fishermen, as both constitute the most important resource: the human resource. Their return in conditions of security testifies, with their presence, the culture, customs, and values rooted in the history of a people.Keywords: post-disaster interventions, risk of natural disasters in Italy and abroad, seismic events in Italy, social and economic protection and support for the native population of historical centers
Procedia PDF Downloads 10119725 Genetic Algorithm Optimization of Multiple Resources for Multi-Projects
Authors: A. Samer Ezeldin, Sarah A. Fotouh
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Optimization of resources is very important in all fields, as in construction management. Project managers have to face problems regarding management of cost, time and available resources of single projects and more problems arise when managing multiple projects. Most of the studies focused on optimization of resources for a single project, but, this paper will discuss the design and modeling of multiple resources optimization for multiple projects using Genetic Algorithm. Most of the companies in construction industry optimize the resources for single projects only, but with the presence of several mega projects in several developing countries running at the same time, there is a need for a model to enhance the efficiency of available resources and decreases the fluctuation as much as possible. The proposed model calculates the cost of each resource, tries to minimize the cost of extra resources as much as possible and generates the schedule of each project within a selected program.Keywords: construction management, genetic algorithm, multiple projects, multiple resources, optimization
Procedia PDF Downloads 45919724 A TgCNN-Based Surrogate Model for Subsurface Oil-Water Phase Flow under Multi-Well Conditions
Authors: Jian Li
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The uncertainty quantification and inversion problems of subsurface oil-water phase flow usually require extensive repeated forward calculations for new runs with changed conditions. To reduce the computational time, various forms of surrogate models have been built. Related research shows that deep learning has emerged as an effective surrogate model, while most surrogate models with deep learning are purely data-driven, which always leads to poor robustness and abnormal results. To guarantee the model more consistent with the physical laws, a coupled theory-guided convolutional neural network (TgCNN) based surrogate model is built to facilitate computation efficiency under the premise of satisfactory accuracy. The model is a convolutional neural network based on multi-well reservoir simulation. The core notion of this proposed method is to bridge two separate blocks on top of an overall network. They underlie the TgCNN model in a coupled form, which reflects the coupling nature of pressure and water saturation in the two-phase flow equation. The model is driven by not only labeled data but also scientific theories, including governing equations, stochastic parameterization, boundary, and initial conditions, well conditions, and expert knowledge. The results show that the TgCNN-based surrogate model exhibits satisfactory accuracy and efficiency in subsurface oil-water phase flow under multi-well conditions.Keywords: coupled theory-guided convolutional neural network, multi-well conditions, surrogate model, subsurface oil-water phase
Procedia PDF Downloads 8619723 The Effect of Magnetite Particle Size on Methane Production by Fresh and Degassed Anaerobic Sludge
Authors: E. Al-Essa, R. Bello-Mendoza, D. G. Wareham
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Anaerobic batch experiments were conducted to investigate the effect of magnetite-supplementation (7 mM) on methane production from digested sludge undergoing two different microbial growth phases, namely fresh sludge (exponential growth phase) and degassed sludge (endogenous decay phase). Three different particle sizes were assessed: small (50 - 150 nm), medium (168 – 490 nm) and large (800 nm - 4.5 µm) particles. Results show that, in the case of the fresh sludge, magnetite significantly enhanced the methane production rate (up to 32%) and reduced the lag phase (by 15% - 41%) as compared to the control, regardless of the particle size used. However, the cumulative methane produced at the end of the incubation was comparable in all treatment and control bottles. In the case of the degassed sludge, only the medium-sized magnetite particles increased significantly the methane production rate (12% higher) as compared to the control. Small and large particles had little effect on the methane production rate but did result in an extended lag phase which led to significantly lower cumulative methane production at the end of the incubation period. These results suggest that magnetite produces a clear and positive effect on methane production only when an active and balanced microbial community is present in the anaerobic digester. It is concluded that, (i) the effect of magnetite particle size on increasing the methane production rate and reducing lag phase duration is strongly influenced by the initial metabolic state of the microbial consortium, and (ii) the particle size would positively affect the methane production if it is provided within the nanometer size range.Keywords: anaerobic digestion, iron oxide, methanogenesis, nanoparticle
Procedia PDF Downloads 14019722 An Investigation into the Views of Distant Science Education Students Regarding Teaching Laboratory Work Online
Authors: Abraham Motlhabane
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This research analysed the written views of science education students regarding the teaching of laboratory work using the online mode. The research adopted the qualitative methodology. The qualitative research was aimed at investigating small and distinct groups normally regarded as a single-site study. Qualitative research was used to describe and analyze the phenomena from the student’s perspective. This means the research began with assumptions of the world view that use theoretical lenses of research problems inquiring into the meaning of individual students. The research was conducted with three groups of students studying for Postgraduate Certificate in Education, Bachelor of Education and honors Bachelor of Education respectively. In each of the study programmes, the science education module is compulsory. Five science education students from each study programme were purposively selected to participate in this research. Therefore, 15 students participated in the research. In order to analysis the data, the data were first printed and hard copies were used in the analysis. The data was read several times and key concepts and ideas were highlighted. Themes and patterns were identified to describe the data. Coding as a process of organising and sorting data was used. The findings of the study are very diverse; some students are in favour of online laboratory whereas other students argue that science can only be learnt through hands-on experimentation.Keywords: online learning, laboratory work, views, perceptions
Procedia PDF Downloads 14519721 Two-Step Inversion Method for Multi-mode Surface Waves
Authors: Ying Zhang
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Surface waves provide critical constraints about the earth's structure in the crust and upper mantle. However, different modes of Love waves with close group velocities often arrive at a similar time and interfere with each other. This problem is typical for Love waves at intermediate periods that travel through the oceanic lithosphere. Therefore, we developed a two-step inversion approach to separate the waveforms of the fundamental and first higher mode of Love waves. We first solve the phase velocities of the two modes and their amplitude ratios. The misfit function is based on the sum of phase differences among the station pairs. We then solve the absolute amplitudes of the two modes and their initial phases using obtained phase velocities and amplitude ratio. The separated waveforms of each mode from the two-step inversion method can be further used in surface wave tomography to improve model resolution.Keywords: surface wave inversion, waveform separation, love waves, higher-mode interference
Procedia PDF Downloads 7019720 Harnessing Emerging Creative Technology for Knowledge Discovery of Multiwavelenght Datasets
Authors: Basiru Amuneni
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Astronomy is one domain with a rise in data. Traditional tools for data management have been employed in the quest for knowledge discovery. However, these traditional tools become limited in the face of big. One means of maximizing knowledge discovery for big data is the use of scientific visualisation. The aim of the work is to explore the possibilities offered by emerging creative technologies of Virtual Reality (VR) systems and game engines to visualize multiwavelength datasets. Game Engines are primarily used for developing video games, however their advanced graphics could be exploited for scientific visualization which provides a means to graphically illustrate scientific data to ease human comprehension. Modern astronomy is now in the era of multiwavelength data where a single galaxy for example, is captured by the telescope several times and at different electromagnetic wavelength to have a more comprehensive picture of the physical characteristics of the galaxy. Visualising this in an immersive environment would be more intuitive and natural for an observer. This work presents a standalone VR application that accesses galaxy FITS files. The application was built using the Unity Game Engine for the graphics underpinning and the OpenXR API for the VR infrastructure. The work used a methodology known as Design Science Research (DSR) which entails the act of ‘using design as a research method or technique’. The key stages of the galaxy modelling pipeline are FITS data preparation, Galaxy Modelling, Unity 3D Visualisation and VR Display. The FITS data format cannot be read by the Unity Game Engine directly. A DLL (CSHARPFITS) which provides a native support for reading and writing FITS files was used. The Galaxy modeller uses an approach that integrates cleaned FITS image pixels into the graphics pipeline of the Unity3d game Engine. The cleaned FITS images are then input to the galaxy modeller pipeline phase, which has a pre-processing script that extracts, pixel, galaxy world position, and colour maps the FITS image pixels. The user can visualise image galaxies in different light bands, control the blend of the image with similar images from different sources or fuse images for a holistic view. The framework will allow users to build tools to realise complex workflows for public outreach and possibly scientific work with increased scalability, near real time interactivity with ease of access. The application is presented in an immersive environment and can use all commercially available headset built on the OpenXR API. The user can select galaxies in the scene, teleport to the galaxy, pan, zoom in/out, and change colour gradients of the galaxy. The findings and design lessons learnt in the implementation of different use cases will contribute to the development and design of game-based visualisation tools in immersive environment by enabling informed decisions to be made.Keywords: astronomy, visualisation, multiwavelenght dataset, virtual reality
Procedia PDF Downloads 9219719 Effect of Withania Somnifera in Alloxan Induced Diabetic Rabbits
Authors: Farah Ali, Tehreem Fayyaz, Musadiq Idris
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The present work was undertaken to investigate effects of various extracts of W. somniferafor anti-diabetic activity in alloxan induced diabetic rabbits. Rabbits were acclimatized for a week to standard laboratory temperature. Animals were fed according to a strict schedule (8 am, 3 pm and 10 pm) with green fodder (Medicago sativa) and tap water ad libitum. Animals were divided into nine groups of six rabbits each in a random manner. Body weights and physical activities of all rabbits were recorded before start of experiments. The animals of group 1 and 2 were given lactose (250 mg/kg,p.o) and Withaniasomniferaroot powder (100 mg/kg, p.o) respectively daily from day 1-20. Animals of group 3 were given alloxan (100 mg/kg,i.v) as a single dose on day 1. Powdered root of Withaniasomnifera in the doses of 100, 150, 200 mg/kg and its aqueous and ethanol extracts (equivalent to 200 mg/kg of crude drug) were given to the treated animals (groups 4-8), respectively by oral route for three weeks (day 1-20o.d), along with alloxan (100 mg/kg, i.v) as a single dose on day 1. Group 9 was treated with metformin (200 mg/kg, p.o) daily from day 1-20, along with a single dose of alloxan (100 mg/ kg, i.v) on day 1. Fasting serum glucose concentration in groups 3-9 was increased significantly (p<0.05) on day 3, with a maximum increase (215.3 mg/dl) in animals of toxic control (TC) group (3) on day 21 of the experiment as compared to normal control (NC) group (1). Effects of different doses (100, 150, 200 mg/kg, p.o) of W. somnifera root powder (WS) decreased the fasting serum glucose concentration as compared to toxic control group, with a maximum decrease (88.3 mg/dl) in group 2 (treated control) on day 21 of the experiment. Metformin (200 mg/kg, p.o) (reference control), aqueous extract (AWS) and ethanol extract (EWS) of W. somnifera (equivalent to 100 mg/kg W.somnifera root, p.o) antagonized the effects of alloxan as compared to toxic control group. These results indicate that the W. somnifera possess significant anti –diabetic activity.Keywords: diabetes, serum, glucose, blood, sugar, rabbits
Procedia PDF Downloads 56119718 Direct Laser Fabrication and Characterization of Cu-Al-Ni Shape Memory Alloy for Seismic Damping Applications
Authors: Gonzalo Reyes, Magdalena Walczak, Esteban Ramos-Moore, Jorge Ramos-Grez
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Metal additive manufacture technologies have gained strong support and acceptance as a promising and alternative method to manufacture high performance complex geometry products. The main purpose of the present work is to study the microstructure and phase transformation temperatures of Cu-Al-Ni shape memory alloys fabricated from a direct laser additive process using metallic powders as precursors. The potential application is to manufacture self-centering seismic dampers for earthquake protection of buildings out of a copper based alloy by an additive process. In this process, the Cu-Al-Ni alloy is melted, inside of a high temperature and vacuum chamber with the aid of a high power fiber laser under inert atmosphere. The laser provides the energy to melt the alloy powder layer. The process allows fabricating fully dense, oxygen-free Cu-Al-Ni specimens using different laser power levels, laser powder interaction times, furnace ambient temperatures, and cooling rates as well as modifying concentration of the alloying elements. Two sets of specimens were fabricated with a nominal composition of Cu-13Al-3Ni and Cu-13Al-4Ni in wt.%, however, semi-quantitative chemical analysis using EDX examination showed that the specimens’ resulting composition was closer to Cu-12Al-5Ni and Cu-11Al-8Ni, respectively. In spite of that fact, it is expected that the specimens should still possess shape memory behavior. To confirm this hypothesis, phase transformation temperatures will be measured using DSC technique, to look for martensitic and austenitic phase transformations at 150°C. So far, metallographic analysis of the specimens showed defined martensitic microstructures. Moreover, XRD technique revealed diffraction peaks corresponding to (0 0 18) and (1 2 8) planes, which are too associated with the presence of martensitic phase. We conclude that it would be possible to obtain fully dense Cu-Al-Ni alloys having shape memory effect behavior by direct laser fabrication process, and to advance into fabrication of self centering seismic dampers by a controllable metal additive manufacturing process.Keywords: Cu-Al-Ni alloys, direct laser fabrication, shape memory alloy, self-centering seismic dampers
Procedia PDF Downloads 51619717 Si Doped HfO₂ Anti-Ferroelectric Thin Films for Energy Storage and Solid State Cooling Applications
Authors: Faizan Ali, Dayu Zhou, Xiaohua Liu, Tony Schenk, Johannes Muller, Uwe Schroeder
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Recently, the ferroelectricity (FE) and anti-ferroelectricity (AFE) introduced in so-called 'high-k dielectric' HfO₂ material incorporated with various dopants (Si, Gd, Y, Sr, Gd, Al, and La, etc.), HfO₂-ZrO₂ solid-solution, Al or Si-doped Hf₀.₅Zr₀.₅O₂ and even undoped HfO₂ thin films. The origin of FE property was attributed to the formation of a non-centrosymmetric orthorhombic (o) phase of space group Pbc2₁. To the author’s best knowledge, AFE property was observed only in HfO₂ doped with a certain amount of Si, Al, HfₓZr₁₋ₓO₂ (0 ≤ x < 0.5), and in Si or Al-doped Hf₀.₅Zr₀.₅O₂. The origin of the anti-ferroelectric behavior is an electric field induced phase transition between the non-polar tetragonal (t) and the polar ferroelectric orthorhombic (o) phase. Compared with the significant amount of studies for the FE properties in the context of non-volatile memories, AFE properties of HfO₂-based and HfₓZr₁₋ₓO₂ (HZO) thin films have just received attention recently for energy-related applications such as electrocaloric cooling, pyroelectric energy harvesting, and electrostatic energy storage. In this work, energy storage and solid state cooling properties of Si-doped HfO₂ AFE thin films are investigated. Owing to the high field-induced polarization and slim double hysteresis, an extremely large Energy storage density (ESD) value of 61.2 J cm⁻³ is achieved at 4.5 MV cm⁻¹ with high efficiency of ~65%. In addition, the ESD and efficiency exhibit robust thermal stability in 210-400 K temperature range and excellent endurance up to 10⁹ times of charge/discharge cycling at a very high electric field of 4.0 MV cm⁻¹. Similarly, for solid-state cooling, the maximum adiabatic temperature change (Keywords: thin films, energy storage, endurance, solid state cooling, anti-ferroelectric
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