Search results for: computational modelling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3570

Search results for: computational modelling

870 Computational Analyses of Persian Walnut Genetic Data: Notes on Genetic Diversity and Cultivar Phylogeny

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

Procedia PDF Downloads 109
869 The Mathematics of Fractal Art: Using a Derived Cubic Method and the Julia Programming Language to Make Fractal Zoom Videos

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

Procedia PDF Downloads 241
868 Hybrid Genetic Approach for Solving Economic Dispatch Problems with Valve-Point Effect

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

Procedia PDF Downloads 421
867 Artificial Bee Colony Optimization for SNR Maximization through Relay Selection in Underlay Cognitive Radio Networks

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

Procedia PDF Downloads 559
866 Mathematical Modeling on Capturing of Magnetic Nanoparticles in an Implant Assisted Channel for Magnetic Drug Targeting

Authors: Shashi Sharma, V. K. Katiyar, Uaday Singh

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The ability to manipulate magnetic particles in fluid flows by means of inhomogeneous magnetic fields is used in a wide range of biomedical applications including magnetic drug targeting (MDT). In MDT, magnetic carrier particles bounded with drug molecules are injected into the vascular system up-stream from the malignant tissue and attracted or retained at the specific region in the body with the help of an external magnetic field. Although the concept of MDT has been around for many years, however, wide spread acceptance of the technique is still looming despite the fact that it has shown some promise in both in vivo and clinical studies. This is because traditional MDT has some inherent limitations. Typically, the magnetic force is not very strong and it is also very short ranged. Since the magnetic force must overcome rather large hydrodynamic forces in the body, MDT applications have been limited to sites located close to the surface of the skin. Even in this most favorable situation, studies have shown that it is difficult to collect appreciable amounts of the MDCPs at the target site. To overcome these limitations of the traditional MDT approach, Ritter and co-workers reported the implant assisted magnetic drug targeting (IA-MDT). In IA-MDT, the magnetic implants are placed strategically at the target site to greatly and locally increase the magnetic force on MDCPs and help to attract and retain the MDCPs at the targeted region. In the present work, we develop a mathematical model to study the capturing of magnetic nanoparticles flowing in a fluid in an implant assisted cylindrical channel under the magnetic field. A coil of ferromagnetic SS 430 has been implanted inside the cylindrical channel to enhance the capturing of magnetic nanoparticles under the magnetic field. The dominant magnetic and drag forces, which significantly affect the capturing of nanoparticles, are incorporated in the model. It is observed through model results that capture efficiency increases from 23 to 51 % as we increase the magnetic field from 0.1 to 0.5 T, respectively. The increase in capture efficiency by increase in magnetic field is because as the magnetic field increases, the magnetization force, which is attractive in nature and responsible to attract or capture the magnetic particles, increases and results the capturing of large number of magnetic particles due to high strength of attractive magnetic force.

Keywords: capture efficiency, implant assisted-magnetic drug targeting (IA-MDT), magnetic nanoparticles, modelling

Procedia PDF Downloads 449
865 High Pressure Multiphase Flow Experiments: The Impact of Pressure on Flow Patterns Using an X-Ray Tomography Visualisation System

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

Procedia PDF Downloads 128
864 Deep Reinforcement Learning Model Using Parameterised Quantum Circuits

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

Procedia PDF Downloads 103
863 Cleaning of Polycyclic Aromatic Hydrocarbons (PAH) Obtained from Ferroalloys Plant

Authors: Stefan Andersson, Balram Panjwani, Bernd Wittgens, Jan Erik Olsen

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Polycyclic Aromatic hydrocarbons are organic compounds consisting of only hydrogen and carbon aromatic rings. PAH are neutral, non-polar molecules that are produced due to incomplete combustion of organic matter. These compounds are carcinogenic and interact with biological nucleophiles to inhibit the normal metabolic functions of the cells. Norways, the most important sources of PAH pollution is considered to be aluminum plants, the metallurgical industry, offshore oil activity, transport, and wood burning. Stricter governmental regulations regarding emissions to the outer and internal environment combined with increased awareness of the potential health effects have motivated Norwegian metal industries to increase their efforts to reduce emissions considerably. One of the objective of the ongoing industry and Norwegian research council supported "SCORE" project is to reduce potential PAH emissions from an off gas stream of a ferroalloy furnace through controlled combustion. In a dedicated combustion chamber. The sizing and configuration of the combustion chamber depends on the combined properties of the bulk gas stream and the properties of the PAH itself. In order to achieve efficient and complete combustion the residence time and minimum temperature need to be optimized. For this design approach reliable kinetic data of the individual PAH-species and/or groups thereof are necessary. However, kinetic data on the combustion of PAH are difficult to obtain and there is only a limited number of studies. The paper presents an evaluation of the kinetic data for some of the PAH obtained from literature. In the present study, the oxidation is modelled for pure PAH and also for PAH mixed with process gas. Using a perfectly stirred reactor modelling approach the oxidation is modelled including advanced reaction kinetics to study influence of residence time and temperature on the conversion of PAH to CO2 and water. A Chemical Reactor Network (CRN) approach is developed to understand the oxidation of PAH inside the combustion chamber. Chemical reactor network modeling has been found to be a valuable tool in the evaluation of oxidation behavior of PAH under various conditions.

Keywords: PAH, PSR, energy recovery, ferro alloy furnace

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862 A Machine Learning Pipeline for Real-Time Activity Detection on Low Computational Power Devices for Metaverse Applications

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

Procedia PDF Downloads 156
861 Free Vibration of Axially Functionally Graded Simply Supported Beams Using Differential Transformation Method

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

Procedia PDF Downloads 287
860 Thermal-Fluid Characteristics of Heating Element in Rotary Heat Exchanger in Accordance with Fouling Phenomena

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

Procedia PDF Downloads 468
859 Evaluation of Washing Performance of Household Wastewater Purified by Advanced Oxidation Process

Authors: Nazlı Çetindağ, Pelin Yılmaz Çetiner, Metin Mert İlgün, Emine Birci, Gizemnur Yıldız Uysal, Özcan Hatipoğlu, Ehsan Tuzcuoğlu, Gökhan Sır

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Stressing the importance of water conservation, emphasizing the need for efficient management of household water, and underlining the significance of alternative solutions are important. In this context, advanced solutions based on technologies such as the advanced oxidation process have emerged as promising methods for treating household wastewater. Evaluating household water usage holds critical importance for the sustainability of water resources. Researchers and experts are examining various technological approaches to effectively treat and reclaim water for reuse. In this framework, the advanced oxidation process has proven to be an effective method for the removal of various organic and inorganic pollutants in the treatment of household wastewater. In this study, performance will be evaluated by comparing it with the reference case. This international criterion simulates the washing of home textile products, determining various performance parameters. The specially designed stain strips, including sebum, carbon black, blood, cocoa, and red wine, used in experiments, represent various household stains. These stain types were carefully selected to represent challenging stain scenarios, ensuring a realistic assessment of washing performance. Experiments conducted under different temperatures and program conditions successfully demonstrate the practical applicability of the advanced oxidation process for treating household wastewater. It is important to note that both adherence to standards and the use of real-life stain types contribute to the broad applicability of the findings. In conclusion, this study strongly supports the effectiveness of treating household wastewater with the advanced oxidation process in terms of washing performance under both standard and practical application conditions. The study underlines the importance of alternative solutions for sustainable water resource management and highlights the potential of the advanced oxidation process in the treatment of household water, contributing significantly to optimizing water usage and developing sustainable water management solutions.

Keywords: advanced oxidation process, household water usage, household appliance waste water, modelling, water reuse

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858 Application of Shore Protective Structures in Optimum Land Using of Defense Sites Located in Coastal Cities

Authors: Mir Ahmad Lashteh Neshaei, Hamed Afsoos Biria, Ata Ghabraei, Mir Abdolhamid Mehrdad

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Awareness of effective land using issues in coastal area including protection of natural ecosystems and coastal environment due to the increasing of human life along the coast is of great importance. There are numerous valuable structures and heritages which are located in defence sites and waterfront area. Marine structures such as groins, sea walls and detached breakwaters are constructed in coast to improve the coast stability against bed erosion due to changing wave and climate pattern. Marine mechanisms and interaction with the shore protection structures need to be intensively studied. Groins are one of the most prominent structures that are used in shore protection to create a safe environment for coastal area by maintaining the land against progressive coastal erosion. The main structural function of a groin is to control the long shore current and littoral sediment transport. This structure can be submerged and provide the necessary beach protection without negative environmental impact. However, for submerged structures adopted for beach protection, the shoreline response to these structures is not well understood at present. Nowadays, modelling and computer simulation are used to assess beach morphology in the vicinity of marine structures to reduce their environmental impact. The objective of this study is to predict the beach morphology in the vicinity of submerged groins and comparison with non-submerged groins with focus on a part of the coast located in Dahane sar Sefidrood, Guilan province, Iran where serious coast erosion has occurred recently. The simulations were obtained using a one-line model which can be used as a first approximation of shoreline prediction in the vicinity of groins. The results of the proposed model are compared with field measurements to determine the shape of the coast. Finally, the results of the present study show that using submerged groins can have a good efficiency to control the beach erosion without causing severe environmental impact to the coast. The important outcome from this study can be employed in optimum designing of defence sites in the coastal cities to improve their efficiency in terms of re-using the heritage lands.

Keywords: submerged structures, groin, shore protective structures, coastal cities

Procedia PDF Downloads 300
857 Reed: An Approach Towards Quickly Bootstrapping Multilingual Acoustic Models

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

Procedia PDF Downloads 102
856 Structural Analysis and Modelling in an Evolving Iron Ore Operation

Authors: Sameh Shahin, Nannang Arrys

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Optimizing pit slope stability and reducing strip ratio of a mining operation are two key tasks in geotechnical engineering. With a growing demand for minerals and an increasing cost associated with extraction, companies are constantly re-evaluating the viability of mineral deposits and challenging their geological understanding. Within Rio Tinto Iron Ore, the Structural Geology (SG) team investigate and collect critical data, such as point based orientations, mapping and geological inferences from adjacent pits to re-model deposits where previous interpretations have failed to account for structurally controlled slope failures. Utilizing innovative data collection methods and data-driven investigation, SG aims to address the root causes of slope instability. Committing to a resource grid drill campaign as the primary source of data collection will often bias data collection to a specific orientation and significantly reduce the capability to identify and qualify complexity. Consequently, these limitations make it difficult to construct a realistic and coherent structural model that identifies adverse structural domains. Without the consideration of complexity and the capability of capturing these structural domains, mining operations run the risk of inadequately designed slopes that may fail and potentially harm people. Regional structural trends have been considered in conjunction with surface and in-pit mapping data to model multi-batter fold structures that were absent from previous iterations of the structural model. The risk is evident in newly identified dip-slope and rock-mass controlled sectors of the geotechnical design rather than a ubiquitous dip-slope sector across the pit. The reward is two-fold: 1) providing sectors of rock-mass controlled design in previously interpreted structurally controlled domains and 2) the opportunity to optimize the slope angle for mineral recovery and reduced strip ratio. Furthermore, a resulting high confidence model with structures and geometries that can account for historic slope instabilities in structurally controlled domains where design assumptions failed.

Keywords: structural geology, geotechnical design, optimization, slope stability, risk mitigation

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855 Synthesis, Characterization and Biological Activites of Azomethine Derivatives

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

Procedia PDF Downloads 46
854 Turbulent Channel Flow Synthesis using Generative Adversarial Networks

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

Procedia PDF Downloads 186
853 De-Novo Structural Elucidation from Mass/NMR Spectra

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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852 Analysis of Hard Turning Process of AISI D3-Thermal Aspects

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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851 Probability-Based Damage Detection of Structures Using Kriging Surrogates and Enhanced Ideal Gas Molecular Movement Algorithm

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)

Procedia PDF Downloads 218
850 Multi-Criteria Test Case Selection Using Ant Colony Optimization

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

Procedia PDF Downloads 646
849 Islamic Finance and Trade Promotion in the African Continental Free Trade Area: An Exploratory Study

Authors: Shehu Usman Rano Aliyu

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Despite the significance of finance as a major trade lubricant, evidence in the literature alludes to its scarcity and increasing cost, especially in developing countries where small and medium-scale enterprises are worst affected. The creation of the African Continental Free Trade Area (AFCFTA) in 2018, an organ of the African Union (AU), was meant to serve as a beacon for deepening economic integration through the removal of trade barriers inhibiting intra-African trade and movement of persons, among others. Hence, this research explores the role Islamic trade finance (ITF) could play in spurring intra- and inter-African trade. The study involves six countries; Egypt, Kenya, Malaysia, Morocco, Nigeria, and Saudi Arabia, and employs survey research, a total of 430 sample data, and SmartPLS Structural Equation Modelling (SEM) techniques in its analyses. We find strong evidence that Shari’ah, legal and regulatory compliance issues of the ITF institutions rhythm with the internal, national, and international compliance requirements equally as the unique instruments applied in ITF. In addition, ITF was found to be largely driven by global economic and political stability, socially responsible finance, ethical and moral considerations, risk-sharing, and resilience of the global Islamic finance industry. Further, SMEs, Governments, and Importers are the major beneficiary sectors. By and large, AfCFTA’s protocols align with the principles of ITF and are therefore suited for the proliferation of Islamic finance in the continent. And, while AML/KYC and BASEL requirements, compliance to AAOIFI and IFSB standards, paucity of Shari'ah experts, threats to global security, and increasing global economic uncertainty pose as major impediments, the future of ITF would be shaped by a greater need for institutional and policy support, global economic cum political stability, robust regulatory framework, and digital technology/fintech. The study calls for the licensing of more ITF institutions in the continent, participation of multilateral institutions in ITF, and harmonization of Shariah standards.

Keywords: AfCFTA, islamic trade finance, murabaha, letter of credit, forwarding

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848 An Overview of the Wind and Wave Climate in the Romanian Nearshore

Authors: Liliana Rusu

Abstract:

The goal of the proposed work is to provide a more comprehensive picture of the wind and wave climate in the Romanian nearshore, using the results provided by numerical models. The Romanian coastal environment is located in the western side of the Black Sea, the more energetic part of the sea, an area with heavy maritime traffic and various offshore operations. Information about the wind and wave climate in the Romanian waters is mainly based on observations at Gloria drilling platform (70 km from the coast). As regards the waves, the measurements of the wave characteristics are not so accurate due to the method used, being also available for a limited period. For this reason, the wave simulations that cover large temporal and spatial scales represent an option to describe better the wave climate. To assess the wind climate in the target area spanning 1992–2016, data provided by the NCEP-CFSR (U.S. National Centers for Environmental Prediction - Climate Forecast System Reanalysis) and consisting in wind fields at 10m above the sea level are used. The high spatial and temporal resolution of the wind fields is good enough to represent the wind variability over the area. For the same 25-year period, as considered for the wind climate, this study characterizes the wave climate from a wave hindcast data set that uses NCEP-CFSR winds as input for a model system SWAN (Simulating WAves Nearshore) based. The wave simulation results with a two-level modelling scale have been validated against both in situ measurements and remotely sensed data. The second level of the system, with a higher resolution in the geographical space (0.02°×0.02°), is focused on the Romanian coastal environment. The main wave parameters simulated at this level are used to analyse the wave climate. The spatial distributions of the wind speed, wind direction and the mean significant wave height have been computed as the average of the total data. As resulted from the amount of data, the target area presents a generally moderate wave climate that is affected by the storm events developed in the Black Sea basin. Both wind and wave climate presents high seasonal variability. All the results are computed as maps that help to find the more dangerous areas. A local analysis has been also employed in some key locations corresponding to highly sensitive areas, as for example the main Romanian harbors.

Keywords: numerical simulations, Romanian nearshore, waves, wind

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847 Solving Transient Conduction and Radiation using Finite Volume Method

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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846 Predictability of Thermal Response in Housing: A Case Study in Australia, Adelaide

Authors: Mina Rouhollahi, J. Boland

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Changes in cities’ heat balance due to rapid urbanization and the urban heat island (UHI) have increased energy demands for space cooling and have resulted in uncomfortable living conditions for urban residents. Climate resilience and comfortable living spaces can be addressed through well-designed urban development. The sustainable housing can be more effective in controlling high levels of urban heat. In Australia, to mitigate the effects of UHIs and summer heat waves, one solution to sustainable housing has been the trend to compact housing design and the construction of energy efficient dwellings. This paper analyses whether current housing configurations and orientations are effective in avoiding increased demands for air conditioning and having an energy efficient residential neighborhood. A significant amount of energy is consumed to ensure thermal comfort in houses. This paper reports on the modelling of heat transfer within the homes using the measurements of radiation, convection and conduction between exterior/interior wall surfaces and outdoor/indoor environment respectively. The simulation was tested on selected 7.5-star energy efficient houses constructed of typical material elements and insulation in Adelaide, Australia. The chosen design dwellings were analyzed in extremely hot weather through one year. The data were obtained via a thermal circuit to accurately model the fundamental heat transfer mechanisms on both boundaries of the house and through the multi-layered wall configurations. The formulation of the Lumped capacitance model was considered in discrete time steps by adopting a non-linear model method. The simulation results focused on the effects of orientation of the solar radiation on the dynamic thermal characteristics of the houses orientations. A high star rating did not necessarily coincide with a decrease in peak demands for cooling. A more effective approach to avoid increasing the demands for air conditioning and energy may be to integrate solar–climatic data to evaluate the performance of energy efficient houses.

Keywords: energy-efficient residential building, heat transfer, neighborhood orientation, solar–climatic data

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845 Investigation of Dry-Blanching and Freezing Methods of Fruits

Authors: Epameinondas Xanthakis, Erik Kaunisto, Alain Le-Bail, Lilia Ahrné

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Fruits and vegetables are characterized as perishable food matrices due to their short shelf life as several deterioration mechanisms are being involved. Prior to the common preservation methods like freezing or canning, fruits and vegetables are being blanched in order to inactivate deteriorative enzymes. Both conventional blanching pretreatments and conventional freezing methods hide drawbacks behind their beneficial impacts on the preservation of those matrices. Conventional blanching methods may require longer processing times, leaching of minerals and nutrients due to the contact with the warm water which in turn leads to effluent production with large BOD. An important issue of freezing technologies is the size of the formed ice crystals which is also critical for the final quality of the frozen food as it can cause irreversible damage to the cellular structure and subsequently to degrade the texture and the colour of the product. Herein, the developed microwave blanching methodology and the results regarding quality aspects and enzyme inactivation will be presented. Moreover, heat transfer phenomena, mass balance, temperature distribution, and enzyme inactivation (such as Pectin Methyl Esterase and Ascorbic Acid Oxidase) of our microwave blanching approach will be evaluated based on measurements and computer modelling. The present work is part of the COLDμWAVE project which aims to the development of an innovative environmentally sustainable process for blanching and freezing of fruits and vegetables with improved textural and nutritional quality. In this context, COLDµWAVE will develop tailored equipment for MW blanching of vegetables that has very high energy efficiency and no water consumption. Furthermore, the next steps of this project regarding the development of innovative pathways in MW assisted freezing to improve the quality of frozen vegetables, by exploring in depth previous results acquired by the authors, will be presented. The application of MW assisted freezing process on fruits and vegetables it is expected to lead to improved quality characteristics compared to the conventional freezing. Acknowledgments: COLDμWAVE has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grand agreement No 660067.

Keywords: blanching, freezing, fruits, microwave blanching, microwave

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844 Chaos Fuzzy Genetic Algorithm

Authors: Mohammad Jalali Varnamkhasti

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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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843 Modeling Acceptability of a Personalized and Contextualized Radio Embedded in Vehicles

Authors: Ludivine Gueho, Sylvain Fleury, Eric Jamet

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Driver distraction is known to be a major contributing factor of car accidents. Since many years, constructors have been designing embedded technologies to face this problem and reduce distraction. Being able to predict user acceptance would further be helpful in the development process to build appropriate systems. The present research aims at modelling the acceptability of a specific system, an innovative personalized and contextualized embedded radio, through an online survey of 202 people in France that assessed the psychological variables determining intentions to use the system. The questionnaire instantiated the dimensions of the extended version of the UTAUT acceptability model. Because of the specific features of the system assessed, we added 4 dimensions: perceived security, anxiety, trust and privacy concerns. Results showed that hedonic motivation, i.e., the fun or pleasure derived from using a technology, and performance expectancy, i.e., the degree to which individuals believe that the characteristics of the system meet their needs, are the most important dimensions in determining behavioral intentions about the innovative radio. To a lesser extent, social influence, i.e., the degree to which individuals think they can use the system while respecting their social group’s norms and while giving a positive image of themselves, had an effect on behavioral intentions. Moreover, trust, that is, the positive belief about the perceived reliability of, dependability of, and confidence in a person, object or process, had a significant effect, mediated by performance expectancy. In an applicative way, the present research reveals that, to be accepted, in-car embedded new technology has to address individual needs, for instance by facilitating the driving activity or by providing useful information. If it shows hedonic qualities by being entertaining, pretty or comfortable, this may improve the intentions to use it. Therefore, it is clearly important to include reflection about user experience in the design process. Finally, the users have to be reassured on the system’s reliability. For example, improving the transparency of the system by providing information about the system functioning, could improve trust. These results bring some highlights on determinant of acceptance of an in-vehicle technology and are useful for constructors to design acceptable systems.

Keywords: acceptability, innovative embedded radio, structural equation, user-centric evaluation, UTAUT

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842 Prediction of Temperature Distribution during Drilling Process Using Artificial Neural Network

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

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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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841 Risk Assessment of Radiation Hazard for a Typical WWER1000: Cancer Risk Analysis during a Hypothetical Accident

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

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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

Procedia PDF Downloads 153