Search results for: computational calculations

Authors: Ncoza Dlova, Tivani Mashamba-Thompson

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Garcinia livingstonei (Clusiaceae) extracts, morelloflavone- 7″- sulphate and sargaol were shown to be effective against hyper-pigmentation through inhibition of tyrosinase enzyme, in vitro . The aim of this study is to elucidate the structural mechanism through which morelloflavone- 7″- sulphate and sargaol binds human tyrosinase. Implementing a homology model to construct a tyrosinase model using the crystal structure of a functional unit from Octopus hemocyanin (PDB: 1JS8) as a reference template enabled us to create a human tyrosinase model. Molecular dynamics and binding free energy calculations were optimized to enable molecular dynamics simulation of the copper dependent inhibitors. Results show the importance of the hydrogen bond formation morelloflavone- 7″- sulphate and sargaol between compound and active site residues. Both complexes demonstrated the metallic coordination between compound and arginine residue as well as copper ions within the active site. The comprehensive molecular insight gained from this study should be vital in understanding the binding mechanism morelloflavone- 7″- sulphate and sargaol. Moreover, these results will assist in the design of novel of metal ion dependent enzyme inhibitors as potential anti-hyper-pigmentation disorder therapies.

Keywords: hyper-pigmentation disorders, dyschromia African skin, morelloflavone- 7″- sulphate, sagoal

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Authors: Natheer Alatawneh

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The finite element analysis of magnetic fields in electromagnetic devices shows that the machine cores experience different flux patterns including alternating and rotating fields. The rotating fields are generated in different configurations range between circular and elliptical with different ratios between the major and minor axis of the flux locus. Experimental measurements on electrical steel exposed to different flux patterns disclose different magnetic losses in the samples under test. Consequently, electric machines require special attention during the cores loss calculation process to consider the flux patterns. In this study, a circular rotational single sheet tester is employed to measure the core losses in electric steel sample of M36G29. The sample was exposed to alternating field, circular field, and elliptical fields with axis ratios of 0.2, 0.4, 0.6 and 0.8. The measured data was implemented on 6-4 switched reluctance motor at three different frequencies of interest to the industry as 60 Hz, 400 Hz, and 1 kHz. The results disclose a high margin of error that may occur during the loss calculations if the flux patterns issue is neglected. The error in different parts of the machine associated with considering the flux patterns can be around 50%, 10%, and 2% at 60Hz, 400Hz, and 1 kHz, respectively. The future work will focus on the optimization of machine geometrical shape which has a primary effect on the flux pattern in order to minimize the magnetic losses in machine cores.

Keywords: alternating core losses, electric machines, finite element analysis, rotational core losses

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Authors: Elham Shahrjooi Haghighi

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This research explores how lexical bundles are utilized in writing in the field of linguistics by comparing professional Persian writers with native English writers using corpus-based studies and advanced computational techniques to examine the occurrence and characteristics of lexical bundles in academic writings. The review of literature emphasizes how important lexical bundles are, in organizing discussions and conveying opinions in both spoken and written language contexts across genres and proficiency levels in fields of study. Previous research has indicated that native English writers tend to employ an array and diversity of bundles than non-native writers do; these bundles are essential elements in academic writing. In this study’s methodology section, the research utilizes a corpus-based method to analyze a collection of writings such as research papers and advanced theses at the doctoral and masters’ levels. The examination uncovers variances in the utilization of groupings between writers who are native speakers of Persian and those who are native English speakers with the latter group displaying a greater occurrence and variety, in types of groupings. Furthermore, the research delves into how these groupings contribute to aspects classifying them into categories based on their relevance to research text structure and individuals as outlined in Hyland’s framework. The results show that Persian authors employ phrases and demonstrate distinct structural and functional tendencies in comparison to native English writers. This variation is linked to differing language skills, levels, disciplinary norms and cultural factors. The study also highlights the pedagogical implications of these findings, suggesting that targeted instruction on the use of lexical bundles could enhance the academic writing skills of non-native speakers. In conclusion, this research contributes to the understanding of lexical bundles in academic writing by providing a detailed comparative analysis of their use by Persian and native English writers. The insights from this study have important implications for language education and the development of effective writing strategies for non-native English speakers in academic contexts.

Keywords: lexical bundles, academic writing, comparative analysis, computational techniques

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Authors: Oshada Gamage, Chamal Wimalasooriya, Chrismal Boteju, W. K. Wimalsiri

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This paper presents a study on the feasibility of introducing a solar powered propelling mechanism to multi-day fishing boats as an alternative energy source. Since solar energy is readily available on the sea throughout the year, this free energy could be utilized to power multi-day fishing vessels. Multi-day boats have a large deck area where solar panels can be mounted above without much effort. This project involves studying the amount of power that can be generated using onboard solar panels and implementing an independent propelling system to run the boat. A chain drive system was designed to propel the boat, when the batteries are fully charged, from an electric motor using the same propeller. A 60 feet multi-day fishing boat built by a local boat manufacturer was chosen for the study. The service speed of the boat was around 6 knots with the electric motor, and the duration of cruising is 1 hour per day with around 11 hours of charging. 350-watt Mono-crystalline PV module, 75 kW HVH type motor, and 10 kWh lithium-ion battery packs were chosen for the study. From the calculations, it was obtained that the boat has 30 PV modules (10.5 kW), 5 batteries (47 kWh), The boat dimensions are 20 meter length of water line, 5.51 meter of beam, 1.8 meter of draught, and 77 ton of total displacement with the PV system net present value of USD 12445 for 20 years of operation and a payback period of around 8.2 years.

Keywords: multiday fishing boats, photovoltaic cells, solar energy, solar powered boat

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Authors: Mohamed Abbas, Ramesh Singh

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This study investigates the hydrothermal aging behavior of undoped and copper oxide-doped alumina-toughened zirconia (ATZ). The ATZ ceramic composites underwent conventional sintering at temperatures ranging from 1250 to 1500°C with a holding time of 12 minutes. XRD analysis revealed a stable 100% tetragonal phase for conventionally sintered ATZ samples up to 1450°C, even after 100 hours of exposure. At 1500℃, XRD patterns of both undoped and doped ATZ samples showed no phase transformation after up to 3 hours of exposure to superheated steam. Extended exposure, however, resulted in phase transformation beyond 10 hours. CuO-doped ATZ samples initially exhibited lower monoclinic content, gradually increasing with aging. Undoped ATZ demonstrated better-aging resistance, maintaining ~40% monoclinic content after 100 hours. FESEM images post-aging revealed surface roughness changes due to the tetragonal-to-monoclinic phase transformation, with limited nucleation in the largest tetragonal grains. Fracture analysis exhibited macrocracks and microcracks on the transformed surface layer after aging. This study found that 0.2wt% CuO doping did not prevent the low-temperature degradation (LTD) phenomenon at elevated temperatures. Transformation zone depth (TZD) calculations supported the trend observed in the transformed monoclinic phase.

Keywords: alumina toughened zirconia, conventional sintering, copper oxide, hydrothermal ageing

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Authors: Anthony Iyenjamu, Josiah Adeyemo

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Due to the increasing water scarcity in South Africa, the prime focus of irrigation in South Africa shifts to creating feasible water sources and the efficient use of these sources. These irrigation systems in South Africa are implemented because of low and erratic rainfall and high evaporative demand. Irrigation contributes significantly to crop production in South Africa, as the mean annual precipitation for the country is usually less than 500mm. This is considered to be the minimum required for rain fed cropping. Even though the rainfall is low, a lot of the water in various areas in South Africa is lost due to runoff into storm water systems that run to the rivers and eventually into the sea. This study reviews the irrigation systems in South Africa which can be vastly improved by creating irrigation dams. A method of which may seem costly at first but rewarding with time. The study investigates the process of creating dam capacity capable of sustaining a suitable area size of land to be irrigated and thus diverting all runoff into these dams. This type of infrastructure method vastly improves various sectors in our irrigation systems. Extensive research is carried out in the surrounding area in which the dam should be constructed. Rainfall patterns and rainfall data is used for calculations of which period the dam will be at its optimum using rainfall. The size of the area irrigated was used to calculate the size of the irrigation dam to be constructed. The location of the dam must be situated as close to the river as possible to minimize the excessive use of pipelines to the dam. This study also investigated all existing resources to alleviate the cost. It was found that irrigation dams could solve the erratic distribution of rainfall in South Africa for irrigation purposes.

Keywords: irrigation, rainfed, rain harvesting, reservoir

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Authors: Sanjeeb Sutradhar, Archita Patnaik

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Histidine is one of the twenty-two naturally occurring essential amino acids exhibiting two conformations, L-histidine and D-histidine. D-Histidine is biologically inert, while L-histidine is bioactive because of its conversion to neurotransmitter or neuromodulator histamine in both brain as well as central nervous system. The deficiency of L-histidine causes serious diseases like Parkinson’s disease, epilepsy and the failure of normal erythropoiesis development. Gold nanocomposites are attractive materials due to their excellent biocompatibility and are easy to adsorb on the electrode surface. In the present investigation, hydrophobic fullerene-C60 was functionalized with homocysteine via nucleophilic addition reaction to make it hydrophilic and to successively make the nanocomposite with in-situ prepared gold nanoparticles with ascorbic acid as reducing agent. The electronic structure calculations of the AuNPs@Hcys-C60 nanocomposite showed a drastic reduction of HOMO-LUMO gap compared to the corresponding molecules of interest, indicating enhanced electron transportability to the electrode surface. In addition, the electrostatic potential map of the nanocomposite showed the charge was distributed over either end of the nanocomposite, evidencing faster direct electron transfer from nanocomposite to the electrode surface. This nanocomposite showed catalytic activity; the nanocomposite modified glassy carbon electrode showed a tenfold higher kₑt, the electron transfer rate constant than the bare glassy carbon electrode. Significant improvement in its sensing behavior by square wave voltammetry was noted.

Keywords: fullerene-C60, gold nanocomposites, L-Histidine, square wave voltammetry

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Authors: Isaac Laryea

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Underwater remote-operated vehicles (ROVs) are highly useful in aquatic research and underwater operations. Unfortunately, unsteady and unpredictable conditions underwater make it difficult for underwater vehicles to maintain a steady attitude during motion. Existing underwater vehicles make use of multiple thrusters positioned at specific positions on their frame to maintain a certain pose. This study proposes an alternate way of maintaining a steady attitude during horizontal motion at low speeds by making use of a thrust vector-controlled propulsion system. The study began by carrying out some preliminary calculations to get an idea of a suitable shape and form factor. Flow simulations were carried out to ensure that enough thrust could be generated to move the system. Using the Lagrangian approach, a mathematical system was developed for the ROV, and this model was used to design a control system. A PID controller was selected for the control system. However, after tuning, it was realized that a PD controller satisfied the design specifications. The designed control system produced an overshoot of 6.72%, with a settling time of 0.192s. To achieve the effect of thrust vectoring, an inverse kinematics synthesis was carried out to determine what angle the actuators need to move to. After building the system, intermittent angular displacements of 10°, 15°, and 20° were given during bench testing, and the response of the control system as well as the servo motor angle was plotted. The final design was able to move in water but was not able to handle large angular displacements as a result of the small angle approximation used in the mathematical model.

Keywords: PID control, thrust vectoring, parallel manipulators, ROV, underwater, attitude control

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Authors: Hayder H. Kareem

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Groundwater recharge is a crucial parameter for any groundwater management system. The variability of the recharge rates and the difficulty in estimating this factor in many processes by direct observation leads to the complexity of estimating the recharge value. Various methods are existing to estimate the groundwater recharge, with some limitations for each method to be able for application. This paper focuses particularly on a real study area, Al-Najaf City, Iraq. In this city, there are few groundwater aquifers, but the aquifer which is considered in this study is the closest one to the ground surface, the Dibdibba aquifer. According to the Aridity Index, which is estimated in the paper, Al-Najaf City is classified as a region located in an arid climate, and this identified that the most appropriate method to estimate the groundwater recharge is Thornthwaite's formula or Thornthwaite's method. From the calculations, the estimated average groundwater recharge over the period 1980-2014 for Al-Najaf City is 40.32 mm/year. Groundwater recharge is completely affected the groundwater table level (groundwater head). Therefore, to make sure that this value of recharge is true, the MODFLOW program has been used to apply this value through finding the relationship between the calculated and observed heads where a groundwater model for the Al-Najaf City study area has been built by MODFLOW to simulate this area for different purposes, one of these purposes is to simulate the groundwater recharge. MODFLOW results show that this value of groundwater recharge is extremely high and needs to be reduced. Therefore, a further sensitivity test has been carried out for the Al-Najaf City study area by the MODFLOW program through changing the recharge value and found that the best estimation of groundwater recharge value for this city is 16.5 mm/year where this value gives the best fitting between the calculated and observed heads with minimum values of RMSE % (13.175) and RSS m² (1454).

Keywords: Al-Najaf City, groundwater modelling, recharge estimation, visual MODFLOW

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Authors: Chia Jui Hsieh, Jyh Cheng Chen, Chih Wei Kuo, Ruei Teng Wang, Woei Chyn Chu

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Compressed sensing (CS) based computed tomographic (CT) reconstruction algorithm utilizes total variation (TV) to transform CT image into sparse domain and minimizes L1-norm of sparse image for reconstruction. Different from the traditional CS based reconstruction which only calculates x-coordinate and y-coordinate TV to transform CT images into sparse domain, we propose a multi-directional TV to transform tomographic image into sparse domain for low-dose reconstruction. Our method considers all possible directions of TV calculations around a pixel, so the sparse transform for CS based reconstruction is more accurate. In 2D CT reconstruction, we use eight-directional TV to transform CT image into sparse domain. Furthermore, we also use 26-directional TV for 3D reconstruction. This multi-directional sparse transform method makes CS based reconstruction algorithm more powerful to reduce noise and increase image quality. To validate and evaluate the performance of this multi-directional sparse transform method, we use both Shepp-Logan phantom and a head phantom as the targets for reconstruction with the corresponding simulated sparse projection data (angular sampling interval is 5 deg and 6 deg, respectively). From the results, the multi-directional TV method can reconstruct images with relatively less artifacts compared with traditional CS based reconstruction algorithm which only calculates x-coordinate and y-coordinate TV. We also choose RMSE, PSNR, UQI to be the parameters for quantitative analysis. From the results of quantitative analysis, no matter which parameter is calculated, the multi-directional TV method, which we proposed, is better.

Keywords: compressed sensing (CS), low-dose CT reconstruction, total variation (TV), multi-directional gradient operator

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Authors: Ayesha Sanjana Kawser Parsha

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S-acylation is an irreversible bond in which cysteine residues are linked to fatty acids palmitate (74%) or stearate (22%), either at the COOH or NH2 terminal, via a thioester linkage. There are several experimental methods that can be used to identify the S-palmitoylation site; however, since they require a lot of time, computational methods are becoming increasingly necessary. There aren't many predictors, however, that can locate S- palmitoylation sites in Arabidopsis Thaliana with sufficient accuracy. This research is based on the importance of building a better prediction tool. To identify the type of machine learning algorithm that predicts this site more accurately for the experimental dataset, several prediction tools were examined in this research, including the GPS PALM 6.0, pCysMod, GPS LIPID 1.0, CSS PALM 4.0, and NBA PALM. These analyses were conducted by constructing the receiver operating characteristics plot and the area under the curve score. An AI-driven deep learning-based prediction tool has been developed utilizing the analysis and three sequence-based input data, such as the amino acid composition, binary encoding profile, and autocorrelation features. The model was developed using five layers, two activation functions, associated parameters, and hyperparameters. The model was built using various combinations of features, and after training and validation, it performed better when all the features were present while using the experimental dataset for 8 and 10-fold cross-validations. While testing the model with unseen and new data, such as the GPS PALM 6.0 plant and pCysMod mouse, the model performed better, and the area under the curve score was near 1. It can be demonstrated that this model outperforms the prior tools in predicting the S- palmitoylation site in the experimental data set by comparing the area under curve score of 10-fold cross-validation of the new model with the established tools' area under curve score with their respective training sets. The objective of this study is to develop a prediction tool for Arabidopsis Thaliana that is more accurate than current tools, as measured by the area under the curve score. Plant food production and immunological treatment targets can both be managed by utilizing this method to forecast S- palmitoylation sites.

Keywords: S- palmitoylation, ROC PLOT, area under the curve, cross- validation score

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Authors: Saradha Priya

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Developing virtual human is very important to meet the challenges occurred in many applications where human find difficult or risky to perform the task. A robot is a machine that can perform a task automatically or with guidance. Robotics is generally a combination of artificial intelligence and physical machines (motors). Computational intelligence involves the programmed instructions. This project proposes a robotic vehicle that has a camera, PIR sensor and text command based movement. It is specially designed to perform surveillance and other few tasks in the most efficient way. Serial communication has been occurred between a remote Base Station, GUI Application, and PC.

Keywords: Zigbee, camera, pirsensor, wireless transmission, DC motor

Procedia PDF Downloads 343

Authors: O. Ojeda Mena, Y. Cressault, P. Teulet, J. P. Gonnet, D. F. N. Santos, MD. Cunha, M. S. Benilov

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The assumption of plasma in local thermal equilibrium (LTE) is commonly used to perform electric arc simulations for industrial applications. This assumption allows to model the arc using a set of magneto-hydromagnetic equations that can be solved with a computational fluid dynamic code. However, the LTE description is only valid in the arc column, whereas in the regions close to the electrodes the plasma deviates from the LTE state. The importance of these near-electrode regions is non-trivial since they define the energy and current transfer between the arc and the electrodes. Therefore, any accurate modelling of the arc must include a good description of the arc-electrode phenomena. Due to the modelling complexity and computational cost of solving the near-electrode layers, a simplified description of the arc-electrode interaction was developed in a previous work to study a steady high-pressure arc discharge, where the near-electrode regions are introduced at the interface between arc and electrode as boundary conditions. The present work proposes a similar approach to simulate the arc ignition in a free-burning arc configuration following an LTE description of the plasma. To obtain the transient evolution of the arc characteristics, appropriate boundary conditions for both the near-cathode and the near-anode regions are used based on recent publications. The arc-cathode interaction is modeled using a non-linear surface heating approach considering the secondary electron emission. On the other hand, the interaction between the arc and the anode is taken into account by means of the heating voltage approach. From the numerical modelling, three main stages can be identified during the arc ignition. Initially, a glow discharge is observed, where the cold non-thermionic cathode is uniformly heated at its surface and the near-cathode voltage drop is in the order of a few hundred volts. Next, a spot with high temperature is formed at the cathode tip followed by a sudden decrease of the near-cathode voltage drop, marking the glow-to-arc discharge transition. During this stage, the LTE plasma also presents an important increase of the temperature in the region adjacent to the hot spot. Finally, the near-cathode voltage drop stabilizes at a few volts and both the electrode and plasma temperatures reach the steady solution. The results after some seconds are similar to those presented for thermionic cathodes.

Keywords: arc-electrode interaction, thermal plasmas, electric arc simulation, cold electrodes

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Authors: Armin Ardekani, Mohammad Akbari

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We present a method of generating series solutions to large classes of nonlinear differential equations. The method is well suited to be adapted in mathematical software and unlike the available commercial solvers, we are capable of generating solutions to boundary value ODEs and PDEs. Many of the generated solutions converge to closed form solutions. Our method can also be applied to systems of ODEs or PDEs, providing all the solutions efficiently. As examples, we present results to many difficult differential equations in engineering fields.

Keywords: computational mathematics, differential equations, engineering, series

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Authors: Rama Shanker, Anil Kumar Sachan

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Basic ingredients of concrete are cement, fine aggregate, coarse aggregate and water. To produce a concrete of certain specific properties, optimum proportion of these ingredients are mixed. The important factors which govern the mix design are grade of concrete, type of cement and size, shape and grading of aggregates. Concrete mix design method is based on experimentally evolved empirical relationship between the factors in the choice of mix design. Basic draw backs of this method are that it does not produce desired strength, calculations are cumbersome and a number of tables are to be referred for arriving at trial mix proportion moreover, the variation in attainment of desired strength is uncertain below the target strength and may even fail. To solve this problem, a lot of cubes of standard grades were prepared and attained 28 days strength determined for different combination of cement, fine aggregate, coarse aggregate and water. An artificial neural network (ANN) was prepared using these data. The input of ANN were grade of concrete, type of cement, size, shape and grading of aggregates and output were proportions of various ingredients. With the help of these inputs and outputs, ANN was trained using feed forward back proportion model. Finally trained ANN was validated, it was seen that it gave the result with/ error of maximum 4 to 5%. Hence, specific type of concrete can be prepared from given material properties and proportions of these materials can be quickly evaluated using the proposed ANN.

Keywords: aggregate proportions, artificial neural network, concrete grade, concrete mix design

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Authors: Benkouiten Imene, Chabli Ouerdia, Boutoutaou Hamid, Kadri Nesrine, Bouledroua Omar

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Algeria is actively enhancing gas productivity by augmenting the supply flow. However, this effort has led to increased internal pressure, posing a potential risk to the pipeline's integrity, particularly in the presence of corrosion defects. Sonatrach relies on a vast network of pipelines spanning 24,000 kilometers for the transportation of gas and oil. The aging of these pipelines raises the likelihood of corrosion both internally and externally, heightening the risk of ruptures. To address this issue, a comprehensive inspection is imperative, utilizing specialized scraping tools. These advanced tools furnish a detailed assessment of all pipeline defects. It is essential to recalculate the pressure parameters to safeguard the corroded pipeline's integrity while ensuring the continuity of production. In this context, Sonatrach employs symbolic pressure limit calculations, such as ASME B31G (2009) and the modified ASME B31G (2012). The aim of this study is to perform a comparative analysis of various limit pressure calculation methods documented in the literature, namely DNV RP F-101, SHELL, P-CORRC, NETTO, and CSA Z662. This comparative assessment will be based on a dataset comprising 329 burst tests published in the literature. Ultimately, we intend to introduce a novel approach grounded in the finite element method, employing ANSYS software.

Keywords: pipeline burst pressure, burst test, corrosion defect, corroded pipeline, finite element method

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Authors: Ophir Nave

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In our research, we present the concept of singularly perturbed vector field (SPVF) method, and its application to thermal explosion of diesel spray combustion. Given a system of governing equations, which consist of hidden Multi-scale variables, the SPVF method transfer and decompose such system to fast and slow singularly perturbed subsystems (SPS). The SPVF method enables us to understand the complex system, and simplify the calculations. Later powerful analytical, numerical and asymptotic methods (e.g method of integral (invariant) manifold (MIM), the homotopy analysis method (HAM) etc.) can be applied to each subsystem. We compare the results obtained by the methods of integral invariant manifold and SPVF apply to spray droplets combustion model. The research deals with the development of an innovative method for extracting fast and slow variables in physical mathematical models. The method that we developed called singular perturbed vector field. This method based on a numerical algorithm applied to global quasi linearization applied to given physical model. The SPVF method applied successfully to combustion processes. Our results were compared to experimentally results. The SPVF is a general numerical and asymptotical method that reveals the hierarchy (multi-scale system) of a given system.

Keywords: polydisperse spray, model reduction, asymptotic analysis, multi-scale systems

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Authors: Zaki Abiza, Miguel Chavez, David M. Holman, Ruddy Brionnaud

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In this paper, the prediction of the aerodynamic behavior of the flow around a Finned Projectile will be validated using a Computational Fluid Dynamics (CFD) solution, XFlow, based on the Lattice-Boltzmann Method (LBM). XFlow is an innovative CFD software developed by Next Limit Dynamics. It is based on a state-of-the-art Lattice-Boltzmann Method which uses a proprietary particle-based kinetic solver and a LES turbulent model coupled with the generalized law of the wall (WMLES). The Lattice-Boltzmann method discretizes the continuous Boltzmann equation, a transport equation for the particle probability distribution function. From the Boltzmann transport equation, and by means of the Chapman-Enskog expansion, the compressible Navier-Stokes equations can be recovered. However to simulate compressible flows, this method has a Mach number limitation because of the lattice discretization. Thanks to this flexible particle-based approach the traditional meshing process is avoided, the discretization stage is strongly accelerated reducing engineering costs, and computations on complex geometries are affordable in a straightforward way. The projectile that will be used in this work is the Army-Navy Basic Finned Missile (ANF) with a caliber of 0.03 m. The analysis will consist in varying the Mach number from M=0.5 comparing the axial force coefficient, normal force slope coefficient and the pitch moment slope coefficient of the Finned Projectile obtained by XFlow with the experimental data. The slope coefficients will be obtained using finite difference techniques in the linear range of the polar curve. The aim of such an analysis is to find out the limiting Mach number value starting from which the effects of high fluid compressibility (related to transonic flow regime) lead the XFlow simulations to differ from the experimental results. This will allow identifying the critical Mach number which limits the validity of the isothermal formulation of XFlow and beyond which a fully compressible solver implementing a coupled momentum-energy equations would be required.

Keywords: CFD, computational fluid dynamics, drag, finned projectile, lattice-boltzmann method, LBM, lift, mach, pitch

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Authors: Forrest Kaatz, Adhemar Bultheel

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We use an informational statistical mechanics approach to study the catalytic thermodynamics of platinum and palladium cuboctahedral nanoclusters. Nanoclusters and their adatoms are viewed as chemical graphs with a nearest neighbor adjacency matrix. We use the Morse potential to determine bond energies between cluster atoms in a coordination type calculation. We use adsorbate energies calculated from density functional theory (DFT) to study the adatom effects on the thermodynamic quantities, which are derived from a Hamiltonian. Oxygen radical and molecular adsorbates are studied on platinum clusters and hydrogen on palladium clusters. We calculate the entropy, free energy, and total energy as the coverage of adsorbates increases from bridge and hollow sites on the surface. Thermodynamic behavior versus adatom coverage is related to the structural distribution of adatoms on the nanocluster surfaces. The thermodynamic functions are characterized using a simple adsorption model, with linear trends as the coverage of adatoms increases. The data exhibits size effects for the measured thermodynamic properties with cluster diameters between 2 and 5 nm. Entropy and enthalpy calculations of Pt-O2 compare well with previous theoretical data for Pt(111)-O2, and our Pd-H results show similar trends as experimental measurements for Pd-H2 nanoclusters. Our methods are general and may be applied to wide variety of nanocluster adsorbate systems.

Keywords: catalytic thermodynamics, palladium nanocluster absorbates, platinum nanocluster absorbates, statistical mechanics

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Authors: B. Engel, H. Hassan

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Rotary draw bending is a method which is being used in tube forming. In the tube bending process, the neutral axis moves towards the inner arc and the wall thickness distribution changes for tube’s cross section. Thinning takes place in the outer arc of the tube (extrados) due to the stretching of the material, whereas thickening occurs in the inner arc of the tube (intrados) due to the comparison of the material. The calculations of the wall thickness distribution, neutral axis shifting, and strain distribution have not been accurate enough, so far. The previous model (the geometrical model) describes the neutral axis shifting and wall thickness distribution. The geometrical of the tube, bending radius and bending angle are considered in the geometrical model, while the influence of the material properties of the tube forming are ignored. The advanced model is a modification of the previous model using material properties that depends on the correction factor. The correction factor is a purely empirically determined factor. The advanced model was compared with the Finite element simulation (FE simulation) using a different bending factor (Bf=bending radius/ diameter of the tube), wall thickness (Wf=diameter of the tube/ wall thickness), and material properties (strain hardening exponent). Finite element model of rotary draw bending has been performed in PAM-TUBE program (version: 2012). Results from the advanced model resemble the FE simulation and the experimental test.

Keywords: rotary draw bending, material properties, neutral axis shifting, wall thickness distribution

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Authors: Yasaman Tohidi, Rouzbeh Riazi, Shidvash Vakilipour, Masoud Mohammadi

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The objective of the present study is to numerically investigate the effect of CO₂ replacement of N₂ in air stream on the flame characteristics of the CH₄ turbulent diffusion flame. The Open source Field Operation and Manipulation (OpenFOAM) has been used as the computational tool. In this regard, laminar flamelet and modified k-ε models have been utilized as combustion and turbulence models, respectively. Results reveal that the presence of CO₂ in air stream changes the flame shape and maximum flame temperature. Also, CO₂ dilution causes an increment in CO mass fraction.

Keywords: CH4 diffusion flame, CO2 dilution, OpenFOAM, turbulent flame

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Authors: Christina Knorr

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Analysis of the evacuation of occupants of a building plays a significant role in Fire Safety Engineering. One of the tools used for the analysis is the concept of the Required Safe Egress Time (RSET). It is generally accepted that RSET is measured from the time the fire ignites until the time that all occupants have evacuated to a safe location. Instructions on how RSET is determined can be found in both the International Fire Engineering Guidelines and, more recently, in the Australian Fire Engineering Guidelines. The guidelines also specify measures that could be applied to reduce the RSET and hence improve the performance of fire-safety measures of a building. Further, it is suggested that the delay period can be reduced through “training programs.” This study examined the overall level of fire-safety awareness among occupants of residential apartment buildings in Australia and investigated the possible effects of fire-safety training on the delay period and, hence, the RSET. A questionnaire, interviews, and an experiment were conducted to collect data about people’s fire-safety knowledge, people’s behaviour and nature, and the duration of activities people are likely to undertake in the event of a fire. The study led to an investigation into the delay and response time approximations and the development of a new equation to incorporate the impact of training into the RSET calculations for the general use of the fire engineering community. Regardless of the RSET, it can be concluded that fire-safety education and training for residents of apartment buildings have a direct impact on improving their behaviour and firefighting equipment usage in a fire incident.

Keywords: fire safety engineering, fire safety training, occupant evacuation behaviour, required safe egress time

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Authors: Wang Xingbo

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Computation of determinant in the form |I-X| is primary and fundamental because it can help to compute many other determinants. This article puts forward a time-reducible approach to compute determinant |I-X|. The approach is derived from the Newton’s identity and its time complexity is no more than that to compute the eigenvalues of the square matrix X. Mathematical deductions and numerical example are presented in detail for the approach. By comparison with classical approaches the new approach is proved to be superior to the classical ones and it can naturally reduce the computational time with the improvement of efficiency to compute eigenvalues of the square matrix.

Keywords: algorithm, determinant, computation, eigenvalue, time complexity

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Authors: Zainab Fadil, Mouath Alawadhi, Abdullah Alhusainan, Fahad Alqadiri, Abdulaziz Alqadiri

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This study investigates how lightweight a fire resistance door will perform with under types of insulation materials. Data is initially collected from various websites, scientific books and research papers. Results show that different layers of insulation in a single door can perform better than one insulator. Furthermore, insulation materials that are lightweight, high strength and low thermal conductivity are the most preferred for fire-rated doors. Whereas heavy weight, low strength, and high thermal conductivity are least preferred for fire-resistance doors. Fire-rated doors specifications, theoretical test methodology, structural analysis, and comparison between five different models with diverse layers insulations are presented. Five different door models are being investigated with different insulation materials and arrangements. Model 1 contains an air gap between door layers. Model 2 includes phenolic foam, mild steel and polyurethane. Model 3 includes phenolic foam and glass wool. Model 4 includes polyurethane and glass wool. Model 5 includes only rock wool between the door layers. It is noticed that model 5 is the most efficient model and its design is simple compared to other models. For this model, numerical calculations are performed to check its efficiency and the results are compared to data from experiments for validation. Good agreement was noticed.

Keywords: fire resistance, insulation, strength, thermal conductivity, lightweight, layers

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Authors: Satyabrata Bera, Mintu Mondal

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Two-dimensional (2D) ferromagnetic materials have garnered significant attention due to their potential to host intriguing scientific phenomena such as the anomalous Hall effect, anomalous Nernst effect, and high transport spin polarization. This study focuses on the investigation of air-stable van der Waals(vdW) ferromagnets, FeGeTe₂ (FₙGT with n = 3, 4, and 5). Particular emphasis is placed on the Fe4GeTe2 (F4GT) compound, which exhibits a complex and fascinating magnetic behavior characterized by two distinct transitions: (i) paramagnetic (PM) to ferromagnetic (FM) around T C ∼ 270 K, and (ii) another spins reorientation transition (SRT) at T SRT ∼ 100 K . Scaling analysis of magnetocaloric effect confirms the second-order character of the ferromagnetic transition, while the same analysis at T SRT suggests that SRT is first-order phase transition. Moreover, the F4GT exhibits a large anomalous Hall conductivity (AHC), ∼ 490 S/cm at 2 K . The near-quadratic behavior of the anomalous Hall resistivity with the longitudinal resistivity suggests that a dominant AHC contribution arises from an intrinsic Berry curvature (BC) mechanism. Electronic structure calculations reveal a significant BC resulting from SOC-induced gapped nodal lines around the Fermi level, thereby giving rise to large AHC. Additionally, we reported exceptionally large anomalous Hall angle (≃ 10.6%) and Hall factor (≃ 0.22 V −1 ) values, the largest observed within this vdW family. The findings presented here, provide valuable insights into the fascinating magnetic and transport properties of 2D ferromagnetic materials, in particular, FₙGT family.

Keywords: 2D vdW ferromagnet, spin reorientation transition, anomalous hall effect, berry curvature

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Authors: Ogunniran Kehinde Olurotimi, Adekoya Joseph, Ehi-Eromosele Cyril, Mehdi Shihab, Mesubi Adediran, Tadigoppula Narender

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Nicotinic acid hydrazide and 2,4-dihydoxylbenzaldehyde were condensed at 20°C to form an acylhydrazone (H3L) with ONO coordination pattern. The structure of the acylhydrazone was elucidated by using CHN analyzer, ESI mass spectrometry, IR, 1H NMR, 13C NMR and 2D NMR such as COSY and HSQC. Thereafter, five novel metal complexes [Mn(II), Fe(II), Pt(II) Zn(II) and Pd(II)] of the hydrazone ligand were synthesized and their structural characterization were achieved by several physicochemical methods, namely elemental analysis, electronic spectra, infrared, EPR, molar conductivity and powder X-ray diffraction studies. Structural geometries of some of the compounds were supported by using Hyper Chem-8 program for the molecular mechanics and semi-empirical calculations. The stability energy (E) and electron potentials (eV) for the frontier molecules were calculated by using PM3 method. An octahedral geometry was suggested for both Pd(II) and Zn(II) complexes while both Mn(II) and Fe(II) complexes conformed with tetrahedral pyramidal. However, Pt(II) complex agreed with tetrahedral geometry. In vitro antitubercular activity study of the ligand and the metal complexes were evaluated against Mycobacterium tuberculosis, H37Rv, by using micro-diluted method. The results obtained revealed that (PtL1) (MIC = 0.56 µg/mL), (ZnL1) (MIC = 0.61 µg/mL), (MnL1) (MIC = 0.71 µg/mL) and (FeL1) (MIC = 0.82 µg/mL), exhibited a significant activity when compared with first line drugs such as isoniazid (INH) (MIC = 0.9 µg/mL). H3L1 exhibited lesser antitubercular activity with MIC value of 1.02 µg/mL. However, the metal complexes displayed higher cytoxicity but were found to be non-significant different (P ˂ 0.05) to isoniazid drug.

Keywords: hydrazones, electron spin resonance, thermogravimetric, powder X-ray diffraction, antitubercular agents

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Authors: Dharshini M., Hema N. S.

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The project for the production of aniline is done by providing 295.46 tons per day of nitrobenzene as feed. The material and energy balance calculations for the different equipment like distillation column, heat exchangers, reactor and mixer are carried out with simulation via DWSIM. The conversion of nitrobenzene to aniline by hydrogenation process is considered to be 96% and the total production of the plant was found to be 215 TPD. The cost estimation of the process is carried out to estimate the feasibility of the plant. The net profit and percentage return of investment is estimated to be ₹27 crores and 24.6%. The payback period was estimated to be 4.05 years and the unit production cost is ₹113/kg. A techno-economic analysis was performed for the production of aniline; the result includes economic analysis and sensitivity analysis of critical factors. From economic analysis, larger the plant scale increases the total capital investment and annual operating cost, even though the unit production cost decreases. Uncertainty analysis was performed to predict the influence of economic factors on profitability and the scenario analysis is one way to quantify uncertainty. In scenario analysis the best-case scenario and the worst-case scenario are compared with the base case scenario. The best-case scenario was found at a feed rate of 120 kmol/hr with a unit production cost of ₹112.05/kg and the worst-case scenario was found at a feed rate of 60 kmol/hr with a unit production cost of ₹115.9/kg. The base case is closely related to the best case by 99.2% in terms of unit production cost. since the unit production cost is less and the profitability is more with less payback time, it is feasible to construct a plant at this capacity.

Keywords: aniline, nitrobenzene, economic analysis, unit production cost

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Authors: Thomas Bryan, Veton Kepuska, Ivica Kostanic

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Speaker recognition is performed in high Additive White Gaussian Noise (AWGN) environments using principals of Computational Auditory Scene Analysis (CASA). CASA methods often classify sounds from images in the time-frequency (T-F) plane using spectrograms or cochleargrams as the image. In this paper atomic decomposition implemented by matching pursuit performs a transform from time series speech signals to the T-F plane. The atomic decomposition creates a sparsely populated T-F vector in “weight space” where each populated T-F position contains an amplitude weight. The weight space vector along with the atomic dictionary represents a denoised, compressed version of the original signal. The arraignment or of the atomic indices in the T-F vector are used for classification. Unsupervised feature learning implemented by a sparse autoencoder learns a single dictionary of basis features from a collection of envelope samples from all speakers. The approach is demonstrated using pairs of speakers from the TIMIT data set. Pairs of speakers are selected randomly from a single district. Each speak has 10 sentences. Two are used for training and 8 for testing. Atomic index probabilities are created for each training sentence and also for each test sentence. Classification is performed by finding the lowest Euclidean distance between then probabilities from the training sentences and the test sentences. Training is done at a 30dB Signal-to-Noise Ratio (SNR). Testing is performed at SNR’s of 0 dB, 5 dB, 10 dB and 30dB. The algorithm has a baseline classification accuracy of ~93% averaged over 10 pairs of speakers from the TIMIT data set. The baseline accuracy is attributable to short sequences of training and test data as well as the overall simplicity of the classification algorithm. The accuracy is not affected by AWGN and produces ~93% accuracy at 0dB SNR.

Keywords: time-frequency plane, atomic decomposition, envelope sampling, Gabor atoms, matching pursuit, sparse dictionary learning, sparse autoencoder

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Authors: Janneth Gonzalez, Andrés Pinzon Velasco, Maria Angarita

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Astrocytes play an important role in various processes in the brain, including pathological conditions such as neurodegenerative diseases. Recent studies have shown that the increase in saturated fatty acids such as palmitic acid (PA) triggers pro-inflammatorypathways in the brain. The use of synthetic neurosteroids such as tibolone has demonstrated neuro-protective mechanisms. However, broad studies with a systemic point of view on the neurodegenerative role of PA and the neuro-protective mechanisms of tibolone are lacking. In this study, we performed the integration of multi-omic data (transcriptome and proteome) into a human astrocyte genomic scale metabolic model to study the astrocytic response during palmitate treatment. We evaluated metabolic fluxes in three scenarios (healthy, induced inflammation by PA, and tibolone treatment under PA inflammation). We also applied a control theory approach to identify those reactions that exert more control in the astrocytic system. Our results suggest that PA generates a modulation of central and secondary metabolism, showing a switch in energy source use through inhibition of folate cycle and fatty acid β‐oxidation and upregulation of ketone bodies formation. We found 25 metabolic switches under PA‐mediated cellular regulation, 9 of which were critical only in the inflammatory scenario but not in the protective tibolone one. Within these reactions, inhibitory, total, and directional coupling profiles were key findings, playing a fundamental role in the (de)regulation of metabolic pathways that may increase neurotoxicity and represent potential treatment targets. Finally, the overall framework of our approach facilitates the understanding of complex metabolic regulation, and it can be used for in silico exploration of the mechanisms of astrocytic cell regulation, directing a more complex future experimental work in neurodegenerative diseases.

Keywords: astrocytes, data integration, palmitic acid, computational model, multi-omics

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Authors: Mohsen Solimani Babarsad, Payam Taheri

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Numerical results of vertical slot fishways with and without cylinders study are presented. The simulated results and the measured data in the fishways are compared to validate the application of the model. This investigation is made using FLUENT V.6.3, a Computational Fluid Dynamics solver. Advantages of using these types of numerical tools are the possibility of avoiding the St.-Venant equations’ limitations, and turbulence can be modeled by means of different models such as the k-ε model. In general, the present study has demonstrated that the CFD model could be useful for analysis and design of vertical slot fishways with cylinders.

Keywords: slot Fish-way, CFD, k-ε model, St.-Venant equations’

Procedia PDF Downloads 357