Search results for: computational%20biomechanics

Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

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A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

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Authors: Muhammad Abdullah, Asma Rashid Butt, Nauman Raza

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Biomagnetic fluids like blood play key role in different applications of medical science and bioengineering. In this paper, the magnetohydrodynamic flow of a viscous fluid with magnetic particles through a cylindrical tube is investigated. The fluid is electrically charged in the presence of a uniform external magnetic field. The movement in the fluid is produced due to the cylindrical tube. Initially, the fluid and tube are at rest and at time t=0⁺, the tube starts to move along its axis. To obtain the mathematical model of flow with fractional derivatives fractional calculus approach is used. The solution of the flow model is obtained by using Laplace transformation. The Simon's numerical algorithm is employed to obtain inverse Laplace transform. The hybrid technique, we are employing has less computational effort as compared to other methods. The numerical calculations have been performed with Mathcad software. As the special cases of our problem, the solution of flow model with ordinary derivatives and flow without magnetic particles has been procured. Finally, the impact of non-integer fractional parameter alpha, Hartmann number Ha, and Reynolds number Re on flow and magnetic particles velocity is analyzed and depicted by graphs.

Keywords: viscous fluid, magnetic particles, fractional calculus, laplace transformation

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Authors: Paulo H. R. G. Reis, Joana P. Maia, Davi Neiva Alves, Mariana R. C. Aquino, Igor B. Guimaraes, Anderson Horta, Thiago Santiago, Mariana Volpini

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Additive manufacturing is a manufacturing technique used in many fields as a tool for the production of complex parts accurately. This technique has a wide possibility of applications in bioengineering, mainly in the manufacture of orthopedic devices, thanks to the versatility of shapes and surface details. The present article aims to evaluate the mechanical viability of a wrist-hand orthosis made using additive manufacturing techniques with Nylon 12 polyamide and compare this device with the wrist-hand orthosis manufactured by the traditional process with thermoplastic Ezeform. The methodology used is based on the application of computational simulations of voltage and temperature, from finite element analysis, in order to evaluate the properties of displacement, mechanical stresses and thermal comfort in the two devices. The execution of this work was carried out through a case study with a 29-year-old male patient. The modeling software involved was Meshmixer from US manufacturer Autodesk and Fusion 360 from the same manufacturer. The results demonstrated that the orthosis developed by 3D printing, from Nylon 12, presents better thermal comfort and response to the mechanical stresses exerted on the orthosis.

Keywords: additive manufacturing, finite elements, hand orthosis, thermal comfort, neurorehabilitation

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Authors: S. A. Tabatabaei, S. Aarabi

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Predicting the hot mix asphalt (HMA) response and performance is a challenging task because of the subjectivity of HMA under the complex loading and environmental condition. The behavior of HMA is a function of temperature of loading and also shows the time and rate-dependent behavior directly affecting design criteria of mixture. Velocity of load passing make the time and rate. The viscoelasticity illustrates the reaction of HMA under loading and environmental conditions such as temperature and moisture effect. The behavior has direct effect on design criteria such as tensional strain and vertical deflection. In this paper, the computational framework for viscoelasticity and implementation in 3D dimensional HMA model is introduced to use in finite element method. The model was lied under various repeated loading conditions at constant temperature. The response of HMA viscoelastic behavior is investigated in loading condition under speed vehicle and sensitivity of behavior to the range of speed and compared to HMA which is supposed to have elastic behavior as in conventional design methods. The results show the importance of loading time pulse, unloading time and various speeds on design criteria. Also the importance of memory fading of material to storing the strain and stress due to repeated loading was shown. The model was simulated by ABAQUS finite element package

Keywords: viscoelasticity, finite element method, repeated loading, HMA

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Authors: Vishal Kumar Singh

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Bioprocess development is a time-constrained activity aimed at harnessing the full potential of culture performance in an ambience that is not natural to cells. Even with the use of chemically defined media and feeds, a significant amount of time is devoted in identifying the apt operating parameters. In addition, the scale-up of these processes is often accompanied by loss of antibody titer and product quality, which further delays the commercialization of the drug product. In such a scenario, the investigation of this disparity of culture performance is done by further experimentation at a smaller scale that is representative of at-scale production bioreactors. These scale-down model developments are also time-intensive. In this study, a computation fluid dynamics-based multi-objective scaling approach has been illustrated to speed up the process transfer. For the implementation of this approach, a transient multiphase water-air system has been studied in Ansys CFX to visualize the air bubble distribution and volumetric mass transfer coefficient (kLa) profiles, followed by the design of experiment based parametric optimization approach to define the operational space. The proposed approach is completely in silico and requires minimum experimentation, thereby rendering a high throughput to the overall process development.

Keywords: bioprocess development, scale up, scale down, computation fluid dynamics, multi-objective, Ansys CFX, design of experiment

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Authors: Tengfei He, Mengjie Zhang, Baosheng Jin

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In this study, the low-cost halloysite (Hal) was utilized for the first time to enhance the solid-phase enrichment and stability of heavy metals (HMs) during solid waste pyrolysis through experimental and theoretical methods, and compared with kaolinite (Kao). Experimental results demonstrated that Hal was superior to Kao in improving the solid-phase enrichment of HMs. Adding Hal reduced the proportion of HMs in the unstable fraction (F1+F2), consequently lowering the environmental risk of biochar and the extractable state of HMs. Through Grand canonical Monte Carlo and Density Functional Theory (DFT) simulations, the adsorption amounts and adsorption mechanisms of Cd/Pb compound on Hal/Kao surfaces were analyzed. The adsorption amounts of HMs by Hal were significantly higher than Kao and decreased with increasing temperature, and the difference in adsorption performance caused by structural bending was negligible. The DFT results indicated that Cd/Pb monomers were stabilized by establishing covalent bonds with OH or reactive O atoms on the Al-(0 0 1) surface, whereas the covalent bonds with ionic bonding properties formed between Cl atoms and unsaturated Al atoms played a crucial role in stabilizing HM chlorides. This study highlights the potential of Hal in stabilizing HMs during pyrolysis without requiring any modifications.

Keywords: heavy metals, halloysite, density functional theory, grand canonical Monte Carlo

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Authors: Karthik Mittal

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This study performs an unsupervised machine learning analysis to find clusters of related SNPs which highlight biological pathways that are important for the biological mechanisms of breast cancer. Studying genetic variations in isolation is illogical because these genetic variations are known to modulate protein production and function; the downstream effects of these modifications on biological outcomes are highly interconnected. After extracting the SNPs and their effect on different types of breast cancer using the MRBase library, two unsupervised machine learning clustering algorithms were implemented on the genetic variants: a k-means clustering algorithm and a hierarchical clustering algorithm; furthermore, principal component analysis was executed to visually represent the data. These algorithms specifically used the SNP’s beta value on the three different types of breast cancer tested in this project (estrogen-receptor positive breast cancer, estrogen-receptor negative breast cancer, and breast cancer in general) to perform this clustering. Two significant genetic pathways validated the clustering produced by this project: the MAPK signaling pathway and the connection between the BRCA2 gene and the ESR1 gene. This study provides the first proof of concept showing the importance of unsupervised machine learning in interpreting GWAS summary statistics.

Keywords: breast cancer, computational biology, unsupervised machine learning, k-means, PCA

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Authors: Utsav Swarnkar, Rabi Pathak, Rina Maiti

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This study aims to investigate the thermoregulatory role of sweating by comprehensively analyzing the evaporation process and its thermal cooling impact on local skin temperature at various time intervals. Traditional experimental methods struggle to fully capture these intricate phenomena. Therefore, numerical simulations play a crucial role in assessing sweat production rates and associated thermal cooling. This research utilizes transient computational fluid dynamics (CFD) to enhance our understanding of the evaporative cooling process on human skin. We conducted a simulation employing the k-w SST turbulence model. This simulation includes a scenario where sweat evaporation occurs over the skin surface, and at particular time intervals, temperatures at different locations have been observed and its effect explained. During this study, sweat evaporation was monitored on the skin surface following the commencement of the simulation. Subsequent to the simulation, various observations were made regarding temperature fluctuations at specific points over time intervals. It was noted that points situated closer to the periphery of the droplets exhibited higher levels of heat transfer and lower temperatures, whereas points within the droplets displayed contrasting trends.

Keywords: CFD, sweat, evaporation, multiphase flow, local heat loss

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Authors: Liubov Magerramova, Mikhail Petrov, Vladimir Isakov, Liana Shcherbinina, Suren Gukasyan, Daniil Povalyukhin, Olga Klimova-Korsmik, Darya Volosevich

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Aircraft engines are developing along the path of increasing resource, strength, reliability, and safety. The building of gas turbine engine body parts is a complex design and technological task. Particularly complex in the design and manufacturing are the casings of the input stages of helicopter gearboxes and central drives of aircraft engines. Traditional technologies, such as precision casting or isothermal forging, are characterized by significant limitations in parts production. For parts like housing, additive technologies guarantee spatial freedom and limitless or flexible design. This article presents the results of computational and experimental studies. These investigations justify the applicability of additive technologies (AT) to reduce the weight of aircraft housing gearbox parts by up to 32%. This is possible due to geometrical optimization compared to the classical, less flexible manufacturing methods and as-casted aircraft parts with over-insured values of safety factors. Using an example of the body of the input stage of an aircraft gearbox, visualization of the layer-by-layer manufacturing of a part based on thermal deformation was demonstrated.

Keywords: additive technologies, gas turbine engines, topological optimization, synthesis process

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Authors: Abanoub Rady Shaker Saleb

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Nowadays, design and architecture are being affected and underwent change with the rapid advancements in technology, economics, politics, society and culture. Architecture has been transforming with the latest developments after the inclusion of computers into design. Integration of design into the computational environment has revolutionized the architecture and new perspectives in architecture have been gained. The history of architecture shows the various technological developments and changes in which the architecture has transformed with time. Therefore, the analysis of integration between technology and the history of the architectural process makes it possible to build a consensus on the idea of how architecture is to proceed. In this study, each period that occurs with the integration of technology into architecture is addressed within historical process. At the same time, changes in architecture via technology are identified as important milestones and predictions with regards to the future of architecture have been determined. Developments and changes in technology and the use of technology in architecture within years are analyzed in charts and graphs comparatively. The historical process of architecture and its transformation via technology are supported with detailed literature review and they are consolidated with the examination of focal points of 20th-century architecture under the titles; parametric design, genetic architecture, simulation, and biomimicry. It is concluded that with the historical research between past and present; the developments in architecture cannot keep up with the advancements in technology and recent developments in technology overshadow the architecture, even the technology decides the direction of architecture. As a result, a scenario is presented with regards to the reach of technology in the future of architecture and the role of the architect.

Keywords: design and development the information technology architecture, enterprise architecture, enterprise architecture design result, TOGAF architecture development method (ADM)

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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: 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: 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

Procedia PDF Downloads 187

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

Abstract:

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

Procedia PDF Downloads 271

Authors: B. Varaprasad, C. Srinivasa Rao

Abstract:

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

Abstract:

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 221