Search results for: computational electromagnetic

Authors: A. O. Idris, J. Virgone, A. I. Ibrahim, D. David, E. Vergnault

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In hot countries, the major challenge is the air conditioning. The increase in energy consumption by air conditioning stems from the need to live in more comfortable buildings, which is understandable. But in Djibouti, one of the countries with the most expensive electricity in the world, this need is exacerbated by an architecture that is inappropriate and unsuitable for climatic conditions. This paper discusses the design of the roof which is the surface receiving the most solar radiation. The roof determines the general behavior of the building. The study presents Computational Fluid Dynamics (CFD) modeling and analysis of the energy performance of a double skin ventilated roof. The particularity of this study is that it considers the climate of Djibouti characterized by hot and humid conditions in winter and very hot and humid in summer. Roof simulations are carried out using the Ansys Fluent software to characterize the flow and the heat transfer induced in the ventilated roof in steady state. This modeling is carried out by comparing the influence of several parameters such as the internal emissivity of the upper surface, the thickness of the insulation of the roof and the thickness of the ventilated channel on heat gain through the roof. The energy saving potential compared to the current construction in Djibouti is also presented.

Keywords: building, double skin roof, CFD, thermo-fluid analysis, energy saving, forced convection, natural convection

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Authors: Hamidreza Sahaleh

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In this paper, the authors display an incorporated secluded way to deal with quantitatively foresee volumetric sand generation and improved oil recuperation. This model is in light of blend hypothesis with erosion mechanics, in which multiphase hydrodynamics and geo-mechanics are coupled in a predictable way by means of principal unknowns, for example, saturation, pressure, porosity, and formation displacements. Foamy oil is demonstrated as a scattering of gas bubbles caught in the oil, where these gas air bubbles keep up a higher repository weight. A secluded methodology is then received to adequately exploit the current propelled standard supply and stress-strain codes. The model is actualized into three coordinated computational modules, i.e. erosion module, store module, and geo-mechanics module. The stress, stream and erosion mathematical statements are understood independently for every time addition, and the coupling terms (porosity, penetrability, plastic shear strain, and so on) are gone among them and iterated until certain union is accomplished on a period step premise. The framework is capable regarding its abilities, yet practical in terms of computer requirements and maintenance. Numerical results of field studies are displayed to show the capacities of the model. The impacts of foamy oil stream and sand generation are additionally inspected to exhibit their effect on the upgraded hydrocarbon recuperation.

Keywords: oil recuperation, erosion mechanics, foamy oil, erosion module.

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Authors: Harmel Meriem

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The optoelectronic properties and high power conversion efficiency make lead halide perovskites ideal material for solar cell applications. However, the toxic nature of lead and the instability of organic cation are the two key challenges in the emerging perovskite solar cells. To overcome these challenges, we present our study about finding potential alternatives to lead in the form of A2BX6 perovskite using the first principles DFT-based calculations. The highly accurate modified Becke Johnson (mBJ) and hybrid functional (HSE06) have been used to investigate the Main Document Click here to view linked References to optoelectronic and thermoelectric properties of A2PdBr6 (A = K, Rb, and Cs) perovskite. The results indicate that different A-cations in A2PdBr6 can significantly alter their electronic and optical properties. Calculated band structures indicate semiconducting nature, with band gap values of 1.84, 1.53, and 1.54 eV for K2PdBr6, Rb2PdBr6, and Cs2PdBr6, respectively. We find strong optical absorption in the visible region with small effective masses for A2PdBr6. The ideal band gap and optimum light absorption suggest Rb2PdBr6 and Cs2PdBr6 potential candidates for the light absorption layer in perovskite solar cells. Additionally.

Keywords: soler cell, double perovskite, optoelectronic properties, ab-inotio study

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Authors: Bruno Pinto Vieira, Marco Antonio Calijorne Soares, Armando Sérgio de Aguiar Filho

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Nowadays, a massive amount of information has been produced by different data sources, including mobile devices and transactional systems. In this scenario, concerns arise on how to maintain or establish data quality, which is now treated as a product to be defined, measured, analyzed, and improved to meet consumers' needs, which is the one who uses these data in decision making and companies strategies. Information that reaches low levels of quality can lead to issues that can consume time and money, such as missed business opportunities, inadequate decisions, and bad risk management actions. The step of selecting, identifying, evaluating, and selecting data sources with significant quality according to the need has become a costly task for users since the sources do not provide information about their quality. Traditional data quality control methods are based on user experience or business rules limiting performance and slowing down the process with less than desirable accuracy. Using advanced machine learning algorithms, it is possible to take advantage of computational resources to overcome challenges and add value to companies and users. In this study, machine learning is applied to data quality analysis on different datasets, seeking to compare the performance of the techniques according to the dimensions of quality assessment. As a result, we could create a ranking of approaches used, besides a system that is able to carry out automatically, data quality assessment.

Keywords: machine learning, data quality, quality dimension, quality assessment

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Authors: Masoud Sheidaei, Melica Tabasi, Fahimeh Koohdar, Mona Sheidaei

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Juglans regia L. is an economically important species of edible nuts. Iran is known as a center of origin of genetically rich walnut germplasm and expected to be found a large diversity within Iranian walnut populations. A detailed population genetic of local populations is useful for developing an optimal strategy for in situ conservation and can assist the breeders in crop improvement programs. Different phylogenetic studies have been carried out in this genus, but none has been concerned with genetic changes associated with geographical divergence and the identification of adaptive SNPs. Therefore, we carried out the present study to identify discriminating ITS nucleotides among Juglans species and also reveal association between ITS SNPs and geographical variables. We used different computations approaches like DAPC, CCA, and RDA analyses for the above-mentioned tasks. We also performed population genetics analyses for population effective size changes associated with the species expansion. The results obtained suggest that latitudinal distribution has a more profound effect on the species genetic changes. Similarly, multiple analytical approaches utilized for the identification of both discriminating DNA nucleotides/ SNPs almost produced congruent results. The SNPs with different phylogenetic importance were also identified by using a parsimony approach.

Keywords: Persian walnut, adaptive SNPs, data analyses, genetic diversity

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Authors: Darsh N. Patel, Eric Olson

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Fractals can be found everywhere, whether it be the shape of a leaf or a system of blood vessels. Fractals are used to help study and understand different physical and mathematical processes; however, their artistic nature is also beautiful to simply explore. This project explores fractals generated by a cubically convergent extension to Newton's method. With this iteration as a starting point, a complex plane spanning from -2 to 2 is created with a color wheel mapped onto it. Next, the polynomial whose roots the fractal will generate from is established. From the Fundamental Theorem of Algebra, it is known that any polynomial has as many roots (counted by multiplicity) as its degree. When generating the fractals, each root will receive its own color. The complex plane can then be colored to indicate the basins of attraction that converge to each root. From a computational point of view, this project’s code identifies which points converge to which roots and then obtains fractal images. A zoom path into the fractal was implemented to easily visualize the self-similar structure. This path was obtained by selecting keyframes at different magnifications through which a path is then interpolated. Using parallel processing, many images were generated and condensed into a video. This project illustrates how practical techniques used for scientific visualization can also have an artistic side.

Keywords: fractals, cubic method, Julia programming language, basin of attraction

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Authors: G. Kermarrec, J. Hartmann

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Spline surfaces are a major representation of freeform surfaces in the computer-aided graphic industry and were recently introduced in the field of geodesy for processing point clouds from terrestrial laser scanner (TLS). The surface fitting consists of approximating a trustworthy mathematical surface to a large numbered 3D point cloud. The standard B-spline surfaces lack of local refinement due to the tensor-product construction. The consequences are oscillating geometry, particularly in the transition from low-to-high curvature parts for scattered point clouds with missing data. More economic alternatives in terms of parameters on how to handle point clouds with a huge amount of observations are the recently introduced T-splines. As long as the partition of unity is guaranteed, their computational complexity is low, and they are flexible. T-splines are implemented in a commercial package called Rhino, a 3D modeler which is widely used in computer aided design to create and animate NURBS objects. We have applied T-splines surface fitting to terrestrial laser scanner point clouds from a bridge under load and a sheet pile wall with noisy observations. We will highlight their potential for modelling details with high trustworthiness, paving the way for further applications in terms of deformation analysis.

Keywords: deformation analysis, surface modelling, terrestrial laser scanner, T-splines

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Authors: Mohamed I. Mahrous, Mohamed G. Ashmawy

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Hybrid genetic algorithm (HGA) is proposed in this paper to determine the economic scheduling of electric power generation over a fixed time period under various system and operational constraints. The proposed technique can outperform conventional genetic algorithms (CGAs) in the sense that HGA make it possible to improve both the quality of the solution and reduce the computing expenses. In contrast, any carefully designed GA is only able to balance the exploration and the exploitation of the search effort, which means that an increase in the accuracy of a solution can only occure at the sacrifice of convergent speed, and vice visa. It is unlikely that both of them can be improved simultaneously. The proposed hybrid scheme is developed in such a way that a simple GA is acting as a base level search, which makes a quick decision to direct the search towards the optimal region, and a local search method (pattern search technique) is next employed to do the fine tuning. The aim of the strategy is to achieve the cost reduction within a reasonable computing time. The effectiveness of the proposed hybrid technique is verified on two real public electricity supply systems with 13 and 40 generator units respectively. The simulation results obtained with the HGA for the two real systems are very encouraging with regard to the computational expenses and the cost reduction of power generation.

Keywords: genetic algorithms, economic dispatch, pattern search

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Authors: Babar Sultan, Kiran Sultan, Waseem Khan, Ijaz Mansoor Qureshi

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In this paper, a novel idea for the performance enhancement of secondary network is proposed for Underlay Cognitive Radio Networks (CRNs). In Underlay CRNs, primary users (PUs) impose strict interference constraints on the secondary users (SUs). The proposed scheme is based on Artificial Bee Colony (ABC) optimization for relay selection and power allocation to handle the highlighted primary challenge of Underlay CRNs. ABC is a simple, population-based optimization algorithm which attains global optimum solution by combining local search methods (Employed and Onlooker Bees) and global search methods (Scout Bees). The proposed two-phase relay selection and power allocation algorithm aims to maximize the signal-to-noise ratio (SNR) at the destination while operating in an underlying mode. The proposed algorithm has less computational complexity and its performance is verified through simulation results for a different number of potential relays, different interference threshold levels and different transmit power thresholds for the selected relays.

Keywords: artificial bee colony, underlay spectrum sharing, cognitive radio networks, amplify-and-forward

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Authors: Mariam Badmus, Bothina Manasreh

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Transition metal dichalcogenides (TMDs) have gained significant attention as two-dimensional (2D) materials due to their intrinsic band gaps and unique properties, which make them ideal candidates for electronic and photonic applications. Unlike graphene, which lacks a band gap, TMDs (MX₂, where M is a transition metal and X is a chalcogen such as sulfur, selenium, or tellurium) exhibit semiconductor behavior and can be exfoliated into monolayers, enhancing their properties. The properties of these materials are investigated using density functional theory, a quantum mechanical computational method to solve Schrodinger equation for many body problems to calculate electron density of the atoms involved on which the energy and properties of a system depend. They show promise for use in photodetectors, biosensors, memory devices, and other technologies in communications, health, and energy sectors. In particular, metallic TMDs, which lack an intrinsic band gap, benefit from doping with transition metals, this improves their electronic and optical properties. Doping monolayer TMDs yields more significant improvements than doping bulk materials. Notably, doping with metals such as vanadium enhances the magnetization of TMDs, expanding their potential applications in spintronics. This work highlights the effects of doping on TMDs and explores strategies for optimizing their performance for advanced technological applications.

Keywords: concentration, doping, magnetization, monolayer

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Authors: Sandy Black, Calum McLaughlin, Alessandro Pranzitelli, Marc Laing

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Multiphase flow structures of two-phase multicomponent fluids were experimentally investigated in a large diameter high-pressure pipeline up to 130 bar at TÜV SÜD’s National Engineering Laboratory Advanced Multiphase Facility. One of the main objectives of the experimental test campaign was to evaluate the impact of pressure on multiphase flow patterns as much of the existing information is based on low-pressure measurements. The experiments were performed in a horizontal and vertical orientation in both 4-inch and 6-inch pipework using nitrogen, ExxsolTM D140 oil, and a 6% aqueous solution of NaCl at incremental pressures from 10 bar to 130 bar. To visualise the detailed structure of the flow of the entire cross-section of the pipe, a fast response X-ray tomography system was used. A wide range of superficial velocities from 0.6 m/s to 24.0 m/s for gas and 0.04 m/s and 6.48 m/s for liquid was examined to evaluate different flow regimes. The results illustrated the suppression of instabilities between the gas and the liquid at the measurement location and that intermittent or slug flow was observed less frequently as the pressure was increased. CFD modellings of low and high-pressure simulations were able to successfully predict the likelihood of intermittent flow; however, further tuning is necessary to predict the slugging frequency. The dataset generated is unique as limited datasets exist above 100 bar and is of considerable value to multiphase flow specialists and numerical modellers.

Keywords: computational fluid dynamics, high pressure, multiphase, X-ray tomography

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Authors: Lokes Parvatha Kumaran S., Sakthi Jay Mahenthar C., Sathyaprakash P., Jayakumar V., Shobanadevi A.

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With the evolution of technology, the need to solve complex computational problems like machine learning and deep learning has shot up. But even the most powerful classical supercomputers find it difficult to execute these tasks. With the recent development of quantum computing, researchers and tech-giants strive for new quantum circuits for machine learning tasks, as present works on Quantum Machine Learning (QML) ensure less memory consumption and reduced model parameters. But it is strenuous to simulate classical deep learning models on existing quantum computing platforms due to the inflexibility of deep quantum circuits. As a consequence, it is essential to design viable quantum algorithms for QML for noisy intermediate-scale quantum (NISQ) devices. The proposed work aims to explore Variational Quantum Circuits (VQC) for Deep Reinforcement Learning by remodeling the experience replay and target network into a representation of VQC. In addition, to reduce the number of model parameters, quantum information encoding schemes are used to achieve better results than the classical neural networks. VQCs are employed to approximate the deep Q-value function for decision-making and policy-selection reinforcement learning with experience replay and the target network.

Keywords: quantum computing, quantum machine learning, variational quantum circuit, deep reinforcement learning, quantum information encoding scheme

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Authors: Amit Kumar, Amanpreet Chander, Ashish Sahani

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This paper presents our recent work on real-time human activity detection based on the media pipe pipeline and machine learning algorithms. The proposed system can detect human activities, including running, jumping, squatting, bending to the left or right, and standing still. This is a robust solution for developing a yoga, dance, metaverse, and fitness application that checks for the correction of the pose without having any additional monitor like a personal trainer. MediaPipe solution offers an open-source cross-platform which utilizes a two-step detector-tracker ML pipeline for live detection of key landmarks on our body which can be used for motion data collection. The prediction of real-time poses uses a variety of machine learning techniques and different types of analysis. Without primarily relying on powerful desktop environments for inference, our method achieves real-time performance on the majority of contemporary mobile phones, desktops/laptops, Python, or even the web. Experimental results show that our method outperforms the existing method in terms of accuracy and real-time capability, achieving an accuracy of 99.92% on testing datasets.

Keywords: human activity detection, media pipe, machine learning, metaverse applications

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Authors: A. Selmi

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Free vibration analysis of homogenous and axially functionally graded simply supported beams within the context of Euler-Bernoulli beam theory is presented in this paper. The material properties of the beams are assumed to obey the linear law distribution. The effective elastic modulus of the composite was predicted by using the rule of mixture. Here, the complexities which appear in solving differential equation of transverse vibration of composite beams which limit the analytical solution to some special cases are overcome using a relatively new approach called the Differential Transformation Method. This technique is applied for solving differential equation of transverse vibration of axially functionally graded beams. Natural frequencies and corresponding normalized mode shapes are calculated for different Young’s modulus ratios. MATLAB code is designed to solve the transformed differential equation of the beam. Comparison of the present results with the exact solutions proves the effectiveness, the accuracy, the simplicity, and computational stability of the differential transformation method. The effect of the Young’s modulus ratio on the normalized natural frequencies and mode shapes is found to be very important.

Keywords: differential transformation method, functionally graded material, mode shape, natural frequency

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Authors: Young Mun Lee, Seon Ho Kim, Seok Min Choi, JeongJu Kim, Seungyeong Choi, Hyung Hee Cho

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To decrease sulfur oxide in the flue gas from coal power plant, a flue gas de-sulfurization facility is operated. In the reactor, a chemical reaction occurs with a temperature change of the gas so that sulfur oxide is removed and cleaned air is emitted. In this process, temperature change induces a serious problem which is a cold erosion of stack. To solve this problem, the rotary heat exchanger is managed before the stack. In the heat exchanger, a heating element is equipped to increase a heat transfer area. Heat transfer and pressure loss is a big issue to improve a performance. In this research, thermal-fluid characteristics of the heating element are analyzed by computational fluid dynamics. Fouling simulation is also conducted to calculate a performance of heating element. Numerical analysis is performed on the situation where plugging phenomenon has already occurred and existed in the inlet region of the heating element. As the pressure of the rear part of the plugging decreases suddenly and the flow velocity becomes slower, it is found that the flow is gathered from both sides as it develops in the flow direction, and it is confirmed that the pressure difference due to plugging is increased.

Keywords: heating element, plugging, rotary heat exchanger, thermal fluid characteristics

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Authors: Bipasha Sen, Aditya Agarwal

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Multilingual automatic speech recognition (ASR) system is a single entity capable of transcribing multiple languages sharing a common phone space. Performance of such a system is highly dependent on the compatibility of the languages. State of the art speech recognition systems are built using sequential architectures based on recurrent neural networks (RNN) limiting the computational parallelization in training. This poses a significant challenge in terms of time taken to bootstrap and validate the compatibility of multiple languages for building a robust multilingual system. Complex architectural choices based on self-attention networks are made to improve the parallelization thereby reducing the training time. In this work, we propose Reed, a simple system based on 1D convolutions which uses very short context to improve the training time. To improve the performance of our system, we use raw time-domain speech signals directly as input. This enables the convolutional layers to learn feature representations rather than relying on handcrafted features such as MFCC. We report improvement on training and inference times by atleast a factor of 4x and 7.4x respectively with comparable WERs against standard RNN based baseline systems on SpeechOcean's multilingual low resource dataset.

Keywords: convolutional neural networks, language compatibility, low resource languages, multilingual automatic speech recognition

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Authors: Rakesh Bhatia

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Students often face significant challenges in understanding and applying trigonometric identities, primarily due to the overwhelming need to memorize numerous formulas. This often leads to confusion, frustration, and difficulty in effectively using these formulas across diverse types of problems. Traditional methods of learning trigonometry demand considerable time and effort, which can further hinder comprehension and application. Vedic Mathematics offers an innovative and simplified approach to overcoming these challenges. This paper explores how Baudhayan Numbers, can be used to derive trigonometric identities and simplify calculations related to height and distance. Unlike conventional approaches, this method minimizes the need for extensive paper-based calculations, promoting a conceptual understanding. Using Vedic Mathematics Sutras such as Anurupyena and Vilokanam, this approach enables the derivation of over 100 trigonometric identities through a single, unified approach. The simplicity and efficiency of this technique not only make learning trigonometry more accessible but also foster computational thinking. Beyond academics, the practical applications of this method extend to engineering fields such as bridge design and construction, where precise trigonometric calculations are critical. This exploration underscores the potential of Vedic Mathematics to revolutionize the learning and application of trigonometry by offering a streamlined, intuitive, and versatile framework.

Keywords: baudhayan numbers, anurupyena, vilokanam, sutras

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Authors: Gabrielle Robertson, Matthew Downs, Joseph Dagher

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Iron deposition in the brain has been linked with a host of neurological disorders such as Alzheimer’s, Parkinson’s, and Multiple Sclerosis. While some treatment options exist, there are no objective measurement tools that allow for the monitoring of iron levels in the brain in vivo. An emerging Magnetic Resonance Imaging (MRI) method has been recently proposed to deduce iron concentration through quantitative measurement of magnetic susceptibility. This is a multi-step process that involves repeated modeling of physical processes via approximate numerical solutions. For example, the last two steps of this Quantitative Susceptibility Mapping (QSM) method involve I) mapping magnetic field into magnetic susceptibility and II) mapping magnetic susceptibility into iron concentration. Process I involves solving an ill-posed inverse problem by using regularization via injection of prior belief. The end result from Process II highly depends on the model used to describe the molecular content of each voxel (type of iron, water fraction, etc.) Due to these factors, the accuracy and repeatability of QSM have been an active area of research in the MRI and medical imaging community. This work aims to estimate iron concentration in the brain via a single step. A synthetic numerical model of the human head was created by automatically and manually segmenting the human head on a high-resolution grid (640x640x640, 0.4mm³) yielding detailed structures such as microvasculature and subcortical regions as well as bone, soft tissue, Cerebral Spinal Fluid, sinuses, arteries, and eyes. Each segmented region was then assigned tissue properties such as relaxation rates, proton density, electromagnetic tissue properties and iron concentration. These tissue property values were randomly selected from a Probability Distribution Function derived from a thorough literature review. In addition to having unique tissue property values, different synthetic head realizations also possess unique structural geometry created by morphing the boundary regions of different areas within normal physical constraints. This model of the human brain is then used to create synthetic MRI measurements. This is repeated thousands of times, for different head shapes, volume, tissue properties and noise realizations. Collectively, this constitutes a training-set that is similar to in vivo data, but larger than datasets available from clinical measurements. This 3D convolutional U-Net neural network architecture was used to train data-driven Deep Learning models to solve for iron concentrations from raw MRI measurements. The performance was then tested on both synthetic data not used in training as well as real in vivo data. Results showed that the model trained on synthetic MRI measurements is able to directly learn iron concentrations in areas of interest more effectively than other existing QSM reconstruction methods. For comparison, models trained on random geometric shapes (as proposed in the Deep QSM method) are less effective than models trained on realistic synthetic head models. Such an accurate method for the quantitative measurement of iron deposits in the brain would be of important value in clinical studies aiming to understand the role of iron in neurological disease.

Keywords: magnetic resonance imaging, MRI, iron deposition, machine learning, quantitative susceptibility mapping

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Authors: Lynda Golea, Rachid Chebaki

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Schiff bases contain heterocyclic structural units with N and O donor atoms which plays an important role in coordination chemistry. Azomethine groups are a broad class of widely used compounds with applications in many fields, including analytical, inorganic chemistry and biological. Schiff's base is of promising research interest due to the widespread antibacterial resistance in medical science. In addition, the research is essential to generate Schiff base metal complexes with various applications. Schiff complexes have been used as drugs and have antibacterial, antifungal, antiviral, and anti-inflammatory properties. The various donor atoms they contain offer a special ability for metal binding. In this research on the physicochemical properties of azomethine groups, we synthesized and studied the Schiff base compounds by a condensation reaction of tryptamines and acetophenone in ethanol. The structure of the prepared compound was interpreted using 1H NMR, 13C NMR, UV-vis and FT-IR. A computational analysis at the level of DFT with functional B3LYP in conjunction with the base 6-311+G (d, p) was conducted to study its electronic and molecular structure. The biological study was performed on three bacterial strains usually causing infection, including Gram-positive and Gram-negative, for antibacterial activity. Results showed moderate biological activity and proportional activity with increasing concentration.

Keywords: azomethine, HOMO, LUMO, RMN, molecular docking

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Authors: John M. Lyne, K. Andrea Scott

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In fluid dynamics, direct numerical simulations (DNS) of turbulent flows require large amounts of nodes to appropriately resolve all scales of energy transfer. Due to the size of these databases, sharing these datasets amongst the academic community is a challenge. Recent work has been done to investigate the use of super-resolution to enable database sharing, where a low-resolution flow field is super-resolved to high resolutions using a neural network. Recently, Generative Adversarial Networks (GAN) have grown in popularity with impressive results in the generation of faces, landscapes, and more. This work investigates the generation of unique high-resolution channel flow velocity fields from a low-dimensional latent space using a GAN. The training objective of the GAN is to generate samples in which the distribution of the generated samplesis ideally indistinguishable from the distribution of the training data. In this study, the network is trained using samples drawn from a statistically stationary channel flow at a Reynolds number of 560. Results show that the turbulent statistics and energy spectra of the generated flow fields are within reasonable agreement with those of the DNS data, demonstrating that GANscan produce the intricate multi-scale phenomena of turbulence.

Keywords: computational fluid dynamics, channel flow, turbulence, generative adversarial network

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Authors: Ismael Zamora, Elisabeth Ortega, Tatiana Radchenko, Guillem Plasencia

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The structure elucidation based on Mass Spectra (MS) data of unknown substances is an unresolved problem that affects many different fields of application. The recent overview of software available for structure elucidation of small molecules has shown the demand for efficient computational tool that will be able to perform structure elucidation of unknown small molecules and peptides. We developed an algorithm for De-Novo fragment analysis based on MS data that proposes a set of scored and ranked structures that are compatible with the MS and MSMS spectra. Several different algorithms were developed depending on the initial set of fragments and the structure building processes. Also, in all cases, several scores for the final molecule ranking were computed. They were validated with small and middle databases (DB) with the eleven test set compounds. Similar results were obtained from any of the databases that contained the fragments of the expected compound. We presented an algorithm. Or De-Novo fragment analysis based on only mass spectrometry (MS) data only that proposed a set of scored/ranked structures that was validated on different types of databases and showed good results as proof of concept. Moreover, the solutions proposed by Mass Spectrometry were submitted to the prediction of NMR spectra in order to elucidate which of the proposed structures was compatible with the NMR spectra collected.

Keywords: De Novo, structure elucidation, mass spectrometry, NMR

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Authors: B. Varaprasad, C. Srinivasa Rao

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In the manufacturing sector, hard turning has emerged as vital machining process for cutting hardened steels. Besides many advantages of hard turning operation, one has to implement to achieve close tolerances in terms of surface finish, high product quality, reduced machining time, low operating cost and environmentally friendly characteristics. In the present study, three-dimensional CAE (Computer Aided Engineering) based simulation of  hard turning by using commercial software DEFORM 3D has been compared to experimental results of  stresses, temperatures and tool forces in machining of AISI D3 steel using mixed Ceramic inserts (CC6050). In the present analysis, orthogonal cutting models are proposed, considering several processing parameters such as cutting speed, feed, and depth of cut. An exhaustive friction modeling at the tool-work interfaces is carried out. Work material flow around the cutting edge is carefully modeled with adaptive re-meshing simulation capability. In process simulations, feed rate and cutting speed are constant (i.e.,. 0.075 mm/rev and 155 m/min), and analysis is focused on stresses, forces, and temperatures during machining. Close agreement is observed between CAE simulation and experimental values.

Keywords: hard turning, computer aided engineering, computational machining, finite element method

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Authors: M. R. Ghasemi, R. Ghiasi, H. Varaee

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Surrogate model has received increasing attention for use in detecting damage of structures based on vibration modal parameters. However, uncertainties existing in the measured vibration data may lead to false or unreliable output result from such model. In this study, an efficient approach based on Monte Carlo simulation is proposed to take into account the effect of uncertainties in developing a surrogate model. The probability of damage existence (PDE) is calculated based on the probability density function of the existence of undamaged and damaged states. The kriging technique allows one to genuinely quantify the surrogate error, therefore it is chosen as metamodeling technique. Enhanced version of ideal gas molecular movement (EIGMM) algorithm is used as main algorithm for model updating. The developed approach is applied to detect simulated damage in numerical models of 72-bar space truss and 120-bar dome truss. The simulation results show the proposed method can perform well in probability-based damage detection of structures with less computational effort compared to direct finite element model.

Keywords: probability-based damage detection (PBDD), Kriging, surrogate modeling, uncertainty quantification, artificial intelligence, enhanced ideal gas molecular movement (EIGMM)

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Authors: Niranjana Devi N.

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Test case selection is to select the subset of only the fit test cases and remove the unfit, ambiguous, redundant, unnecessary test cases which in turn improve the quality and reduce the cost of software testing. Test cases optimization is the problem of finding the best subset of test cases from a pool of the test cases to be audited. It will meet all the objectives of testing concurrently. But most of the research have evaluated the fitness of test cases only on single parameter fault detecting capability and optimize the test cases using a single objective. In the proposed approach, nine parameters are considered for test case selection and the best subset of parameters for test case selection is obtained using Interval Type-2 Fuzzy Rough Set. Test case selection is done in two stages. The first stage is the fuzzy entropy-based filtration technique, used for estimating and reducing the ambiguity in test case fitness evaluation and selection. The second stage is the ant colony optimization-based wrapper technique with a forward search strategy, employed to select test cases from the reduced test suite of the first stage. The results are evaluated using the Coverage parameters, Precision, Recall, F-Measure, APSC, APDC, and SSR. The experimental evaluation demonstrates that by this approach considerable computational effort can be avoided.

Keywords: ant colony optimization, fuzzy entropy, interval type-2 fuzzy rough set, test case selection

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Authors: Dimitrios I. Tselentis, Simon P. Washington

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Considerable literature has been focused over the last few decades on forecasting the consumer demand of Energy Efficient Vehicles (EEVs). These methodological issues range from how to capture recent purchase decisions in revealed choice studies and how to set up experiments in stated preference (SP) studies, and choice of analysis method for analyzing such data. This paper reviews the plethora of published studies on the field of forecasting demand of EEVs since 1980, and provides a review and annotated bibliography of that literature as it pertains to this particular demand forecasting problem. This detailed review addresses the literature not only to Transportation studies, but specifically to the problem and methodologies around forecasting to the time horizons of planning studies which may represent 10 to 20 year forecasts. The objectives of the paper are to identify where existing gaps in literature exist and to articulate where promising methodologies might guide longer term forecasting. One of the key findings of this review is that there are many common techniques used both in the field of new product demand forecasting and the field of predicting future demand for EEV. Apart from SP and RP methods, some of these new techniques that have emerged in the literature in the last few decades are survey related approaches, product diffusion models, time-series modelling, computational intelligence models and other holistic approaches.

Keywords: demand forecasting, Energy Efficient Vehicles (EEVs), forecasting methodologies review, methodological approaches

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Authors: Ashok K. Satapathy, Prerana Nashine

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Radiative heat transfer in participating medium was anticipated using the finite volume method. The radiative transfer equations are formulated for absorbing and anisotropically scattering and emitting medium. The solution strategy is discussed and the conditions for computational stability are conferred. The equations have been solved for transient radiative medium and transient radiation incorporated with transient conduction. Results have been obtained for irradiation and corresponding heat fluxes for both the cases. The solutions can be used to conclude incident energy and surface heat flux. Transient solutions were obtained for a slab of heat conducting in slab by thermal radiation. The effect of heat conduction during the transient phase is to partially equalize the internal temperature distribution. The solution procedure provides accurate temperature distributions in these regions. A finite volume procedure with variable space and time increments is used to solve the transient energy equation. The medium in the enclosure absorbs, emits, and anisotropically scatters radiative energy. The incident radiations and the radiative heat fluxes are presented in graphical forms. The phase function anisotropy plays a significant role in the radiation heat transfer when the boundary condition is non-symmetric.

Keywords: participating media, finite volume method, radiation coupled with conduction, heat transfer

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Authors: Mohammad Jalali Varnamkhasti

Abstract:

The genetic algorithms have been very successful in handling difficult optimization problems. The fundamental problem in genetic algorithms is premature convergence. This paper, present a new fuzzy genetic algorithm based on chaotic values instead of the random values in genetic algorithm processes. In this algorithm, for initial population is used chaotic sequences and then a new sexual selection proposed for selection mechanism. In this technique, the population is divided such that the male and female would be selected in an alternate way. The layout of the male and female chromosomes in each generation is different. A female chromosome is selected by tournament selection size from the female group. Then, the male chromosome is selected, in order of preference based on the maximum Hamming distance between the male chromosome and the female chromosome or The highest fitness value of male chromosome (if more than one male chromosome is having the maximum Hamming distance existed), or Random selection. The selections of crossover and mutation operators are achieved by running the fuzzy logic controllers, the crossover and mutation probabilities are varied on the basis of the phenotype and genotype characteristics of the chromosome population. Computational experiments are conducted on the proposed techniques and the results are compared with some other operators, heuristic and local search algorithms commonly used for solving p-median problems published in the literature.

Keywords: genetic algorithm, fuzzy system, chaos, sexual selection

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Authors: Ali Reza Tahavvor, Saeed Hosseini, Nazli Jowkar, Afshin Karimzadeh Fard

Abstract:

Experimental & numeral study of temperature distribution during milling process, is important in milling quality and tools life aspects. In the present study the milling cross-section temperature is determined by using Artificial Neural Networks (ANN) according to the temperature of certain points of the work piece and the points specifications and the milling rotational speed of the blade. In the present work, at first three-dimensional model of the work piece is provided and then by using the Computational Heat Transfer (CHT) simulations, temperature in different nods of the work piece are specified in steady-state conditions. Results obtained from CHT are used for training and testing the ANN approach. Using reverse engineering and setting the desired x, y, z and the milling rotational speed of the blade as input data to the network, the milling surface temperature determined by neural network is presented as output data. The desired points temperature for different milling blade rotational speed are obtained experimentally and by extrapolation method for the milling surface temperature is obtained and a comparison is performed among the soft programming ANN, CHT results and experimental data and it is observed that ANN soft programming code can be used more efficiently to determine the temperature in a milling process.

Keywords: artificial neural networks, milling process, rotational speed, temperature

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Authors: R. Gharari, N. Kojouri, R. Hosseini Aghdam, E. Alibeigi, B. Salmasian

Abstract:

In this research, the WWER1000/V446 (a PWR Russian type reactor) is chosen as the case study. It is assumed that radioactive materials that release into the environment are more than allowable limit due to a complete failure of the ventilation system (reactor stack). In the following, the HOTSPOT and the RASCAL computational codes have been used and coupled with a developed program using MATLAB software to evaluate Total effective dose equivalent (TEDE) and cancer risk according to the BEIR equations for various human organs. In addition, effects of the containment spray system and climate conditions on the TEDE have been investigated. According to the obtained results, there is an inverse correlation between the received dose and the wind speed; the amount of the TEDE for wind speed 2 m/s and is more than wind speed for 14 m/s during the class A of the climate (2.168 and 0.444 mSv, respectively). Also, containment spray system can effect and reduce the amount of the fission products and TEDE. Furthermore, the probability of the cancer risk for women is more than men, and for children is more than adults. In addition, a specific emergency zonal planning is proposed. Results are promising in which the site selection of the WWER1000/V446 were considered safe for the public in this situation.

Keywords: TEDE, total effective dose equivalent, RASCAL and HOTSPOT codes, BEIR equations, cancer risk

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Authors: Christian Klettner, Ian Eames, Tristan Robinson

Abstract:

Tsunami is characterised by their very long time periods and can have devastating consequences when these inundate through built-up coastal regions as in the 2004 Indian Ocean and 2011 Tohoku Tsunami. This work aims to investigate the effect of these long waves on the flow through and around a group of buildings, which are abstracted to circular cylinders. The research approach used in this study was using experiments and numerical simulations. Large-scale experiments were carried out at HR Wallingford. The novelty of these experiments is (I) the number of bodies present (up to 64), (II) the long wavelength of the input waves (80 seconds) and (III) the width of the tank (4m) which gives the unique opportunity to investigate three length scales, namely the diameter of the building, the diameter of the array and the width of the tank. To complement the experiments, dam break flow past the same arrays is investigated using three-dimensional numerical simulations in OpenFOAM. Dam break flow was chosen as it is often used as a surrogate for the tsunami in previous research and is used here as there are well defined initial conditions and high quality previous experimental data for the case of a single cylinder is available. The focus of this work is to better understand the effect of the solid void fraction on the force and flow through and around the array. New qualitative and quantitative diagnostics are developed and tested to analyse the complex coupled interaction between the cylinders.

Keywords: computational fluid dynamics, tsunami, forces, complex geometry

Procedia PDF Downloads 195