Search results for: generalised gradient approximation

Authors: Shih-Heng Tung, Ming-Hsiang Shih, Wen-Pei Sung

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Because of the rapid development of digital camera and computer, digital image correlation method has drawn lots of attention recently and has been applied to a variety of fields. However, the image distortion is inevitable when the image is captured through a lens. This image distortion problem can result in an innegligible error while using digital image correlation method. There are already many different ways to correct the image distortion, and most of them require specific image patterns or precise control points. A new distortion correction method is proposed in this study. The proposed method is based on the fact that a flat surface should keep flat when it is measured using three-dimensional (3D) digital image measurement technique. Lens distortion can be divided into radial distortion, decentering distortion and thin prism distortion. Because radial distortion has a more noticeable influence than the other types of distortions, this method deals only with radial distortion. The simplified 3D digital image measurement technique is adopted to measure the surface coordinates of a flat specimen. Then the gradient method is applied to find the best correction parameters. A few experiments are carried out in this study to verify the correctness of this method. The results show that this method can achieve a good accuracy and it is suitable for both large and small distortion conditions. The most important advantage is that it requires neither mark with specific pattern nor precise control points.

Keywords: 3D DIC, radial distortion, distortion correction, planarity

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Authors: Rujia Chen, Ajit Narayanan

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Convolutional neural networks (CNN), as typically applied in deep learning, use layer-wise backpropagation (BP) to construct filters and kernels for feature extraction. Such filters are 2D or 3D groups of weights for constructing feature maps at subsequent layers of the CNN and are shared across the entire input. BP as a gradient descent algorithm has well-known problems of getting stuck at local optima. The use of genetic algorithms (GAs) for evolving weights between layers of standard artificial neural networks (ANNs) is a well-established area of neuroevolution. In particular, the use of crossover techniques when optimizing weights can help to overcome problems of local optima. However, the application of GAs for evolving the weights of filters and kernels in CNNs is not yet an established area of neuroevolution. In this paper, a GA-based filter development algorithm is proposed. The results of the proof-of-concept experiments described in this paper show the proposed GA algorithm can find filter weights through evolutionary techniques rather than BP learning. For some simple classification tasks like geometric shape recognition, the proposed algorithm can achieve 100% accuracy. The results for MNIST classification, while not as good as possible through standard filter learning through BP, show that filter and kernel evolution warrants further investigation as a new subarea of neuroevolution for deep architectures.

Keywords: neuroevolution, convolutional neural network, genetic algorithm, filters, kernels

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Authors: Retno A. S. Lestari, Wahyudi B. Sediawan, Siti Syamsiah, Sarto

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Sulfur-oxidizing bacteria were isolated and then grown on snakefruits seeds forming biofilm. Their performance in sulfide removal were experimentally observed. Snakefruit seeds were then used as packing material in a cylindrical tube. Biological treatment of hydrogen sulfide from biogas was investigated using biofilm on packed bed of snakefruits seeds. Biogas containing 27,9512 ppm of hydrogen sulfide was flown through the bed. Then the hydrogen sulfide concentrations in the outlet at various times were analyzed. A set of simple kinetics model for the rate of the sulfide removal and the bacterial growth was proposed. The axial sulfide concentration gradient in the flowing liquid are assumed to be steady-state. Mean while the biofilm grows on the surface of the seeds and the oxidation takes place in the biofilm. Since the biofilm is very thin, the sulfide concentration in the biofilm is assumed to be uniform. The simultaneous ordinary differential equations obtained were then solved numerically using Runge-Kutta method. The acuracy of the model proposed was tested by comparing the calcultion results using the model with the experimental data obtained. It turned out that the model proposed can be applied to describe the removal of sulfide liquid using bio-filter in packed bed. The values of the parameters were also obtained by curve-fitting. The biofilter could remove 89,83 % of the inlet of hydrogen sulfide from biogas for 2.5 h, and optimum loading of 8.33 ml/h.

Keywords: Sulfur-oxidizing bacteria, snakefruits seeds, biofilm, packing material, biogas

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Authors: Maha Salah Abdullah Ismail, Mahmoud M. Alsagheir, Mohammed Salah Abd Allah

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Acute respiratory distress syndrome (ARDS) is characterized by permeability pulmonary edema and refractory hypoxemia. Lung-protective ventilation is still the key of better outcome in ARDS. Prone position reduces the trans-pulmonary pressure gradient, recruiting collapsed regions of the lung without increasing airway pressure or hyperinflation. Prone ventilation showed improved oxygenation and improved outcomes in severe hypoxemic patients with ARDS. This study evaluates the effect of prone positioning on mechanically ventilated patients with ARDS. A quasi-experimental design was carried out at Critical Care Units, on 60 patients. Two tools were utilized to collect data; Socio demographic, medical and clinical outcomes data sheet. Results of the present study indicated that prone position improves oxygenation in patients with severe respiratory distress syndrome. The study recommended that use prone position in patients with severe ARDS, as early as possible and for long sessions. Also, replication of this study on larger probability sample at the different geographical location is highly recommended.

Keywords: acute respiratory distress syndrome, critical care, mechanical ventilation, prone position

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Authors: Hassan Athari, Abdurrahim Bolukbasi, Dogan Ciloglu

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This study represented the respiratory alveoli system, and determined the trajectory of inhaled particles more accurately using the modified three-dimensional model with deformable walls of alveoli. The study also considered the tissue tension in the model to demonstrate the effect of lung. Tissue tensions are transferred by the lung parenchyma and produce the pressure gradient. This load expands the alveoli and establishes a sub-ambient (vacuum) pressure within the lungs. Thus, at the alveolar level, the flow field and movement of alveoli wall lead to an integrated effect. In this research, we assume that the three-dimensional alveolus has a visco-elastic tissue (walls). For accurate investigation of pulmonary tissue mechanical properties on particle transport and alveolar flow field, the actual relevance between tissue movement and airflow is solved by two-way FSI (Fluid Structure Interaction) simulation technique in the alveolus. Therefore, the essence of real simulation of pulmonary breathing mechanics can be achieved by developing a coupled FSI computational model. We, therefore conduct a series of FSI simulations over a range of tissue models and breathing rates. As a result, the fluid flows and streamlines have changed during present flexible model against the rigid models and also the two-way coupling particle trajectories have changed against the one-way particle coupling.

Keywords: FSI, two-way particle coupling, alveoli, CDF

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Authors: Jugoslav Jokovic, Tijana Dimitrijevic, Nebojsa Doncov

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The goal of this paper is to investigate the possibilities and effectiveness of the TLM (Transmission Line Matrix) method for modelling of up-to-date microstrip antennas with circular geometry that have significant application in modern wireless communication systems. The coaxially fed microstrip antenna configurations with circular patch are analyzed by using the in-house 3DTLMcyl_cw solver based on computational electromagnetic TLM method adapted to the cylindrical grid and enhanced with the compact wire model. Opposed to the widely used rectangular TLM mesh, where a staircase approximation has to be used to describe curved boundaries, precise modelling of circular boundaries can be accomplished in the cylindrical grid irrespective of the mesh resolution. Using the compact wire model incorporated in cylindrical mesh, it is possible to model coaxial feed and include the influence of the real excitation in the antenna model. The conventional and inverted configuration of a coaxially fed circular patch antenna are considered, comparing the resonances obtained using TLM cylindrical model with results reached by the corresponding model in a rectangular grid as well as with experimental ones. Bearing in mind that accuracy of simulated results depends on a relevantly created model, besides structure geometry and dimensions, it is important to consider additional modelling issues, regarding appropriate mesh resolution and a relevant extension of a mesh around the considered structure that would provide convergence of the results.

Keywords: computational electromagnetic, coaxial feed, microstrip antenna, TLM modelling

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Authors: Boumaraf Malak

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The development of intelligent transportation systems (ITS) and artificial intelligence (AI) are spurring us to pave the way for the widespread adoption of autonomous vehicles (AVs). This is open again opportunities for smart roads, smart traffic safety, and mobility comfort. A highly intelligent decision-making system is essential for autonomous driving around dense, dynamic objects. It must be able to handle complex road geometry and topology, as well as complex multiagent interactions, and closely follow higher-level commands such as routing information. Autonomous vehicles have become a very hot research topic in recent years due to their significant ability to reduce traffic accidents and personal injuries. Using new artificial intelligence-based technologies handles important functions in scene understanding, motion planning, decision making, vehicle control, social behavior, and communication for AV. This paper focuses only on deep reinforcement learning-based methods; it does not include traditional (flat) planar techniques, which have been the subject of extensive research in the past because reinforcement learning (RL) has become a powerful learning framework now capable of learning complex policies in high dimensional environments. The DRL algorithm used so far found solutions to the four main problems of autonomous driving; in our paper, we highlight the challenges and point to possible future research directions.

Keywords: deep reinforcement learning, autonomous driving, deep deterministic policy gradient, deep Q-learning

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Authors: E. I. Ugwu

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Theoretical analysis of the optical and Solid State properties of ZnS thin film using beam propagation technique in which a scalar wave is propagated through the material thin film deposited on a substrate with the assumption that the dielectric medium is section into a homogenous reference dielectric constant term, and a perturbed dielectric term, representing the deposited thin film medium is presented in this work. These two terms, constitute arbitrary complex dielectric function that describes dielectric perturbation imposed by the medium of for the system. This is substituted into a defined scalar wave equation in which the appropriate Green’s Function was defined on it and solved using series technique. The green’s value obtained from Green’s Function was used in Dyson’s and Lippmann Schwinger equations in conjunction with Born approximation method in computing the propagated field for different input regions of field wavelength during which the influence of the dielectric constants and mesh size of the thin film on the propagating field were depicted. The results obtained from the computed field were used in turn to generate the data that were used to compute the band gaps, solid state and optical properties of the thin film such as reflectance, Transmittance and reflectance with which the band gap obtained was found to be in close approximate to that of experimental value.

Keywords: scalar wave, optical and solid state properties, thin film, dielectric medium, perturbation, Lippmann Schwinger equations, Green’s Function, propagation

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Authors: Huseyin Zengin, Muhammet Emre Turan, Yunus Turen, Hayrettin Ahlatci, Yavuz Sun

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This study aimed for understanding the effects of dilute Nb additions on the austenite microstructure of microalloyed steels at five different reheating temperatures from 950 °C to 1300 °C. Four microalloyed high-carbon steels having 0.8 %wt C were examined in which three of them had varying Nb concentrations from 0.005 wt% to 0.02 wt% and one of them had no Nb concentration. The quantitative metallographic techniques were used to measure the average prior austenite grain size in order to compare the grain growth pinning effects of Nb precipitates as a function of reheating temperature. Due to the higher stability of the precipitates with increasing Nb concentrations, the grain coarsening temperature that resulted in inefficient grain growth impediment and a bimodal grain distribution in the microstructure, showed an increase with increasing Nb concentration. The respective grain coarsening temperatures (T_GC) in an ascending order for the steels having 0.005 wt% Nb, 0.01 wt% Nb and 0.02 wt% Nb were 950 °C, 1050 °C and 1150 °C. According to these observed grain coarsening temperatures, an approximation was made considering the complete dissolution temperature (T_DISS) of second phase particles as T_GC=T_DISS-300. On the other hand, the plain carbon steel did not show abnormal grain growth behaviour due to the absence of second phase particles. It was also observed that the higher the Nb concentration, the smaller the average prior austenite grain size although the small increments in Nb concenration did not change the average grain size considerably.

Keywords: microalloyed steels, prior austenite grains, second phase particles, grain coarsening temperature

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Authors: Yash Bingi, Yiqiao Yin

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Reduction of child mortality is an ongoing struggle and a commonly used factor in determining progress in the medical field. The under-5 mortality number is around 5 million around the world, with many of the deaths being preventable. In light of this issue, Cardiotocograms (CTGs) have emerged as a leading tool to determine fetal health. By using ultrasound pulses and reading the responses, CTGs help healthcare professionals assess the overall health of the fetus to determine the risk of child mortality. However, interpreting the results of the CTGs is time-consuming and inefficient, especially in underdeveloped areas where an expert obstetrician is hard to come by. Using a support vector machine (SVM) and oversampling, this paper proposed a model that classifies fetal health with an accuracy of 99.59%. To further explain the CTG measurements, an algorithm based on Randomized Input Sampling for Explanation ((RISE) of Black-box Models was created, called Feature Alteration for explanation of Black Box Models (FAB), and compared the findings to Shapley Additive Explanations (SHAP) and Local Interpretable Model Agnostic Explanations (LIME). This allows doctors and medical professionals to classify fetal health with high accuracy and determine which features were most influential in the process.

Keywords: machine learning, fetal health, gradient boosting, support vector machine, Shapley values, local interpretable model agnostic explanations

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Authors: Zainab A. Bu Sinnah, David I. Graham

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The Lattice Boltzmann Method has been developed and used to simulate both steady and unsteady fluid flow problems such as turbulent flows, multiphase flow and flows in the vascular system. As an example, the study of blood flow and its properties can give a greater understanding of atherosclerosis and the flow parameters which influence this phenomenon. The blood flow in the vascular system is driven by a pulsating pressure gradient which is produced by the heart. As a very simple model of this, we simulate plane channel flow under periodic forcing. This pulsatile flow is essentially the standard Poiseuille flow except that the flow is driven by the periodic forcing term. Moment boundary conditions, where various moments of the particle distribution function are specified, are applied at solid walls. We used a second-order single relaxation time model and investigated grid convergence using two distinct approaches. In the first approach, we fixed both Reynolds and Womersley numbers and varied relaxation time with grid size. In the second approach, we fixed the Womersley number and relaxation time. The expected second-order convergence was obtained for the second approach. For the first approach, however, the numerical method converged, but not necessarily to the appropriate analytical result. An explanation is given for these observations.

Keywords: Lattice Boltzmann method, single relaxation time, pulsatile flow, moment based boundary condition

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Authors: Ross Lee, Pritpal Singh, Andrew Jester

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As the world transitions to a more sustainable energy economy, the deployment of energy storage technologies is expected to increase to develop a more resilient grid system. However, current technologies are associated with various environmental and safety issues throughout their entire lifecycle; therefore, new battery technology is necessary for grid applications to curtail these risks. Biological cells, such as human neurons and electrolytes in the electric eel, can serve as a more sustainable design template for a new bio-inspired (i.e., biomimetic) battery. Within biological cells, an electrochemical gradient across the cell membrane forms the membrane potential, which serves as the driving force for ion transport into/out of the cell, akin to the charging/discharging of a battery cell. This work serves as the first step to developing such a biomimetic battery cell, starting with the fabrication and characterization of ion-selective membranes to facilitate ion transport through the cell. Performance characteristics (e.g., cell voltage, power density, specific energy, roundtrip efficiency) for the cell under investigation are compared to incumbent battery technologies and biological cells to assess the readiness level for this emerging technology. Using a Na⁺-Form Nafion-117 membrane, the cell in this work successfully demonstrated behavior similar to human neurons; these findings will inform how cell components can be re-engineered to enhance device performance.

Keywords: battery, biomimetic, electrolytes, human neurons, ion-selective membranes, membrane potential

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Authors: Reza Babajanivalashedi, Stefania Lo Feudo, Jean-Luc Dion

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Liquid sloshing is a crucial problem for the dynamic of moving containers in the packaging industries. Sloshing issues have been so far mainly modeled within the framework of fluid dynamics or by using equivalent mechanical models with different kinds of movements and shapes of containers. Nevertheless, these approaches do not allow to determinate the shape of the free surface of the liquid in case of the irregular shape of the moving containers, so that experimental measurements may be required. If there is too much slosh in the moving tank, the liquid can be splashed out on the packages. So, the free surface oscillation must be controlled/reduced to eliminate the splashing. The purpose of this research is to propose an optimization algorithm for finding an optimum command law to reduce surface elevation. In the first step, the free surface of the liquid is simulated based on the separation variable and weak formulation models. Then Genetic and Gradient algorithms are developed for finding the optimum command law. The optimum command law is compared with existing command laws, and the results show that there is a significant difference in surface oscillation between optimum and existing command laws. This algorithm is applicable for different varieties of bottles in case of using the camera for detecting the liquid elevation, and it can produce new command laws for different kinds of tanks to reduce the surface oscillation and remove the splashing phenomenon.

Keywords: sloshing phenomenon, separation variables, weak formulation, optimization algorithm, command law

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Authors: Aref Aasi, Sahar Ebrahimi Bajgani, Erfan Aasi

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Breast cancer (BC) continues to be the most frequent cancer in females and causes the highest number of cancer-related deaths in women worldwide. Inspired by recent advances in studying the relationship between different patient attributes and features and the disease, in this paper, we have tried to investigate the different classification methods for better diagnosis of BC in the early stages. In this regard, datasets from the University Hospital Centre of Coimbra were chosen, and different machine learning (ML)-based and neural network (NN) classifiers have been studied. For this purpose, we have selected favorable features among the nine provided attributes from the clinical dataset by using a random forest algorithm. This dataset consists of both healthy controls and BC patients, and it was noted that glucose, BMI, resistin, and age have the most importance, respectively. Moreover, we have analyzed these features with various ML-based classifier methods, including Decision Tree (DT), K-Nearest Neighbors (KNN), eXtreme Gradient Boosting (XGBoost), Logistic Regression (LR), Naive Bayes (NB), and Support Vector Machine (SVM) along with NN-based Multi-Layer Perceptron (MLP) classifier. The results revealed that among different techniques, the SVM and MLP classifiers have the most accuracy, with amounts of 96% and 92%, respectively. These results divulged that the adopted procedure could be used effectively for the classification of cancer cells, and also it encourages further experimental investigations with more collected data for other types of cancers.

Keywords: breast cancer, diagnosis, machine learning, biomarker classification, neural network

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Authors: Ankur Dixit, Hiroaki Wagatsuma

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The crack detection on a concrete bridge is an important and constant task in civil engineering. Chronically, humans are checking the bridge for inspection of cracks to maintain the quality and reliability of bridge. But this process is very long and costly. To overcome such limitations, we have used a drone with a digital camera, which took some images of bridge deck and these images are processed by morphological component analysis (MCA). MCA technique is a very strong application of sparse coding and it explores the possibility of separation of images. In this paper, MCA has been used to decompose the image into coarse and fine components with the effectiveness of two dictionaries namely anisotropic diffusion and wavelet transform. An anisotropic diffusion is an adaptive smoothing process used to adjust diffusion coefficient by finding gray level and gradient as features. These cracks in image are enhanced by subtracting the diffused coarse image into the original image and the results are treated by Sobel edge detector and binary filtering to exhibit the cracks in a fine way. Our results demonstrated that proposed MCA framework using anisotropic diffusion followed by Sobel operator and binary filtering may contribute to an automation of crack detection even in open field sever conditions such as bridge decks.

Keywords: anisotropic diffusion, coarse component, fine component, MCA, Sobel edge detector and wavelet transform

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Authors: Isaac Laryea

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

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

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Authors: Fadi Al-Badour, Nesar Merah, Abdelrahman Shuaib, Abdelaziz Bazoune

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In the current work, a Coupled Eulerian Lagrangian (CEL) model is developed to simulate the friction stir welding (FSW) process of dissimilar Aluminum alloys (Al 6061-T6 with Al 5083-O). The model predicts volumetric defects, material flow, developed temperatures, and stresses in addition to tool reaction loads. Simulation of welding phase is performed by employing a control volume approach, whereas the welding speed is defined as inflow and outflow over Eulerian domain boundaries. Only material softening due to inelastic heat generation is considered and material behavior is assumed to obey Johnson-Cook’s Model. The model was validated using published experimentally measured temperatures, at similar welding conditions, and by qualitative comparison of dissimilar weld microstructure. The FE results showed that most of developed temperatures were below melting and that the bulk of the deformed material in solid state. The temperature gradient on AL6061-T6 side was found to be less than that of Al 5083-O. Changing the position Al 6061-T6 from retreating (Ret.) side to advancing (Adv.) side led to a decrease in maximum process temperature and strain rate. This could be due to the higher resistance of Al 6061-T6 to flow as compared to Al 5083-O.

Keywords: friction stir welding, dissimilar metals, finite element modeling, coupled Eulerian Lagrangian Analysis

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Authors: Atena Naeimi, Mehri-Sadat Ekrami-Kakhki

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Fe3O4 is one of the important magnetic oxides with spinel structure; it has exhibited unique electric and magnetic properties based on the electron transfer between Fe2+ and Fe3+ in the octahedral sites. Fe3O4 have received considerable attention in various areas such as cancer therapy, drug targeting, enzyme immobilization catalysis, magnetic cell separation, magnetic refrigeration systems and super-paramagnetic materials. Fe3O4–ZnO nanostructures were synthesized via a surfactant-free ultrasonic reaction at room temperatures. The effect of various parameters such as temperature, time, and power on the size and morphology of the product was investigated. Alternating gradient force magnetometer shows that Fe3O4 nanoparticles exhibit super-paramagnetic behaviour at room temperature. For preparation of nanocomposite 1 g of Fe3O4 nanostructures were dispersed in 100 mL of distilled water. 0.25 g of Zn (NO3)2 and 20 mL of NH3 solution 1 M were then slowly added to the solution under ultrasonic irradiation. The product was centrifuged, washed with distilled water and dried in the air. The photocatalytic behaviour of Fe3O4–ZnO nanoparticles was evaluated using the degradation of a methyl orange aqueous solution under ultraviolet light irradiation. As time increased, more and more methyl orange was adsorbed on the nanoparticles catalyst, until the absorption peak vanish. The methyl orange concentration decreased rapidly with increasing UV-irradiation time.

Keywords: nanocomposite, ultrasonic, paramagnetic, photocatalytic

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Authors: S. Lakel, F. Elhamra, M. Ibrir, K. Almi

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There is a growing interest in Zn1-xBexO (ZBO)/ZnO hetero structures and quantum wells since the band gap energy of Zn1-xBexO solid solutions can be turned over a very large range (3.37–10.6 eV) as a function of the Be composition. ZBO/ZnO has been utilized in ultraviolet light emission diodes and lasers, and may find applications as active elements of various other electronic and optoelectronic devices. Band gap engineering by Be substitution enables the facile preparation of barrier layers and quantum wells in device structures. In addition, ZnO and its ternary alloys, as piezoelectric semiconductors, have been used for high-frequency surface acoustic wave devices in wireless communication systems due to their high acoustic velocities and large electromechanical coupling. However, many important parameters such as elastic constants, bulk modulus, Young’s modulus and band-gap bowing. First-principles calculations of the structural, electrical and elastic properties of Zn1-xBexO as a function of the Be concentration x have been performed within density functional theory using norm-conserving pseudopotentials and local density approximation (LDA) for the exchange and correlation energy. The alloys’ lattice constants may deviate from the Vegard law. As Be concentration increases, the elastic constants, the bulk modulus and Young’s modulus of the alloys increase, the band gap increases with increasing Be concentration and Zn1-xBexO alloys have direct band. Our calculated results are in good agreement with experimental data and other theoretical calculations.

Keywords: DFT calculation, norm-conserving pseudopotentials, ZnBeO alloys, ZnO

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Authors: Mohammad Shafiul Alam, Mineo Saito

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Graphene-based materials have attracted much attention because they are candidates for post silicon materials. Since controlling of impurities is necessary to achieve nano device, we study hydrogen impurity in multi-layer graphene. We perform local spin Density approximation (LSDA) in which the plane wave basis set and pseudopotential are used. Previously hydrogen monomer and dimer in graphene is well theoretically studied. However, hydrogen on multilayer graphene is still not clear. By using first-principles electronic structure calculations based on the LSDA within the density functional theory method, we studied hydrogen monomers and dimers in two-layer graphene. We found that the monomers are spin-polarized and have magnetic moment 1 µB. We also found that most stable dimer is much more stable than monomer. In the most stable structures of the dimers in two-layer graphene, the two hydrogen atoms are bonded to the host carbon atoms which are nearest-neighbors. In this case two hydrogen atoms are located on the opposite sides. Whereas, when the two hydrogen atoms are bonded to the same sublattice of the host materials, magnetic moments of 2 µB appear in two-layer graphene. We found that when the two hydrogen atoms are bonded to third-nearest-neighbor carbon atoms, the electronic structure is nonmagnetic. We also studied hydrogen monomers and dimers in three-layer graphene. The result is same as that of two-layer graphene. These results are very important in the field of carbon nanomaterials as it is experimentally difficult to show the magnetic state of those materials.

Keywords: first-principles calculations, LSDA, multi-layer gra-phene, nanomaterials

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Authors: Suresh Sahu, Abhijeet M. Vaidya, Naresh K. Maheshwari

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The efforts to understand the heat transfer behavior of supercritical water in supercritical water cooled reactor (SCWR) are ongoing worldwide to fulfill the future energy demand. The higher thermal efficiency of these reactors compared to a conventional nuclear reactor is one of the driving forces for attracting the attention of nuclear scientists. In this work, a solution procedure has been described for solving supercritical fluid flow problems in complex geometries. The solution procedure is based on non-staggered grid. All governing equations are discretized by finite volume method (FVM) in curvilinear coordinate system. Convective terms are discretized by first-order upwind scheme and central difference approximation has been used to discretize the diffusive parts. k-ε turbulence model with standard wall function has been employed. SIMPLE solution procedure has been implemented for the curvilinear coordinate system. Based on this solution method, 3-D Computational Fluid Dynamics (CFD) code has been developed. In order to demonstrate the capability of this CFD code in supercritical fluid flows, heat transfer to supercritical water in circular tubes has been considered as a test problem. Results obtained by code have been compared with experimental results reported in literature.

Keywords: curvilinear coordinate, body-fitted mesh, momentum interpolation, non-staggered grid, supercritical fluids

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Authors: A. Oukaira, A. Lakhssassi, O. Ettahri

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To make a good thermal management in an ABDM (Adapter Board Detector Module) card, we must first control temperature and its gradient from the first step in the design of integrated circuits ASIC of our complex system. In this paper, our main goal is to develop and validate the thermal stability in order to get an idea of the flow of heat around the ASIC in transient and thus address the thermal issues for integrated circuits at the ABDM card. However, we need heat sources simulations for ABDM card to establish its thermal mapping. This led us to perform simulations at each ASIC that will allow us to understand the thermal ABDM map and find real solutions for each one of our complex system that contains 36 ABDM map, taking into account the different layers around ASIC. To do a transient simulation under NISA, we had to build a function of power modulation in time TIMEAMP. The maximum power generated in the ASIC is 0.6 W. We divided the power uniformly in the volume of the ASIC. This power was applied for 5 seconds to visualize the evolution and distribution of heat around the ASIC. The DBC (Dirichlet Boundary conditions) method was applied around the ABDM at 25°C and just after these simulations in NISA tool we will validate them by COMSOL tool, wich is a numerical calculation software for a modular finite element for modeling a wide variety of physical phenomena characterizing a real problem. It will also be a design tool with its ability to handle 3D geometries for complex systems.

Keywords: ABDM, APD, thermal mapping, complex system

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Authors: Sanja O. Podunavac-Kuzmanović, Lidija R. Jevrić, Strahinja Z. Kovačević

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Benzimidazoles are a group of compounds with significant antibacterial, antifungal and anticancer activity. The studied compounds consist of the main benzimidazole structure with different combinations of substituens. This study is based on the two-dimensional and three-dimensional molecular modeling and calculation of molecular descriptors (physicochemical and lipophilicity descriptors) of structurally diverse benzimidazoles. Molecular modeling was carried out by using ChemBio3D Ultra version 14.0 software. The obtained 3D models were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. The obtained set of molecular descriptors was used in principal component analysis (PCA) of possible similarities and dissimilarities among the studied derivatives. After the molecular modeling, the quantitative structure-property relationship (QSPR) analysis was applied in order to get the mathematical models which can be used in prediction of pKb values of structurally similar benzimidazoles. The obtained models are based on statistically valid multiple linear regression (MLR) equations. The calculated cross-validation parameters indicate the high prediction ability of the established QSPR models. This study is financially supported by COST action CM1306 and the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina.

Keywords: benzimidazoles, chemometrics, molecular modeling, molecular descriptors, QSPR

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Authors: Jeong Woo Kang, MiYoung Baek, Ki-Suk Kim, Kwang-Jick Lee, ByungJae So

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Introduction: A fast, easy and sensitive detection method was developed and validated by liquid chromatography tandem mass spectrometry for the determination of marbofloxacin in pig plasma which was further applied to study the pharmacokinetics of marbofloxacin. Materials and Methods: The plasma sample (500 μL) was mixed with 1.5 ml of 0.1% formic acid in MeCN to precipitate plasma proteins. After shaking for 20 min, The mixture was centrifuged at 5,000 × g for 30 min. It was dried under a nitrogen flow at 50℃. 500 μL aliquot of the sample was injected into the LC-MS/MS system. Chromatographic analysis was carried out mobile phase gradient consisting 0.1% formic acid in D.W. (A) and 0.1% formic acid in MeCN (B) with C18 reverse phase column. Mass spectrometry was performed using the positive ion mode and the selected ion monitoring (MRM). Results and Conclusions: The method validation was performed in the sample matrix. Good linearities (R2>0.999) were observed and the quantified average recoveries of marbofloxacin were 87 - 92% at level of 10 ng g-1 -100 ng g-1. The percent of coefficient of variation (CV) for the described method was less than 10 % over the range of concentrations studied. The limits of detection (LOD) and quantification (LOQ) were 2 and 5 ng g-1, respectively. This method has also been applied successfully to pharmacokinetic analysis of marbofloxacin after intravenous (IV), intramuscular (IM) and oral administration (PO). The mean peak plasma concentration (Cmax) was 2,597 ng g-1at 0.25 h, 2,587 ng g-1at 0.44 h and 2,355 ng g-1at 1.58 h for IV, IM and PO, respectively. The area under the plasma concentration-time curve (AUC0–t) was 24.8, 29.0 and 25.2 h μg/mL for IV, IM and PO, respectively. The elimination half-life (T1/2) was 8.6, 13.1 and 9.5 for IV, IM and PO, respectively. Bioavailability (F) of the marbofloxacin in pig was 117 and 101 % for IM and PO, respectively. Based on these result, marbofloxacin does not have any obstacles as therapeutics to develop the oral formulations such as tablets and capsules.

Keywords: marbofloxacin, LC-MS/MS, pharmacokinetics, chromatographic

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Authors: Yan-Wen Wang, Chu-Yang Chou, Jen-Cheng Wang, Min-Sheng Liao, Hsuan-Hsiang Hsu, Cheng-Ying Chou, Chen-Kang Huang, Kun-Chang Kuo, Joe-Air Jiang

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Performance-related parameters of high concentration photovoltaic (HCPV) modules (e.g. current and voltage) are required when estimating the maximum power point using numerical and approximation methods. The maximum power point on the characteristic curve for a photovoltaic module varies when temperature or solar radiation is different. It is also difficult to estimate the output performance and maximum power point (MPP) due to the special characteristics of HCPV modules. Based on the p-n junction semiconductor theory, a brand new and simple method is presented in this study to directly evaluate the MPP of HCPV modules. The MPP of HCPV modules can be determined from an irradiated I-V characteristic curve, because there is a non-linear relationship between the temperature of a solar cell and solar radiation. Numerical simulations and field tests are conducted to examine the characteristics of HCPV modules during maximum output power tracking. The performance of the presented method is evaluated by examining the dependence of temperature and irradiation intensity on the MPP characteristics of HCPV modules. These results show that the presented method allows HCPV modules to achieve their maximum power and perform power tracking under various operation conditions. A 0.1% error is found between the estimated and the real maximum power point.

Keywords: energy performance, high concentrated photovoltaic, maximum power point, p-n junction semiconductor

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Authors: Asad Islam, Khalid Parvez

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Compressor fans in modern aircraft engines are of considerate importance, as they provide majority of thrust required by the aircraft. Their challenging environment is frequently subjected to non-uniform inflow conditions. These conditions could be either due to the flight operating requirements such as take-off and landing, wake interference from aircraft fuselage or cross-flow wind conditions. So, in highly maneuverable flights regimes of fighter aircrafts affects the overall performance of an engine. Since the flow in compressor of an aircraft application is highly sensitive because of adverse pressure gradient due to different flow orientations of the aircraft. Therefore, it is prone to unstable operations. This paper presents the study that focuses on axial compressor response to inlet flow orientations for the range of angles as 0 to 15 degrees. For this purpose, NASA Rotor-37 was taken and CFD mesh was developed. The compressor characteristics map was generated for the design conditions of pressure ratio of 2.106 with the rotor operating at rotational velocity of 17188.7 rpm using CFD simulating environment of ANSYS-CFX®. The grid study was done to see the effects of mesh upon computational solution. Then, the mesh giving the best results, (when validated with the available experimental NASA’s results); was used for further distortion analysis. The flow in the inlet nozzle was given angle orientations ranging from 0 to 15 degrees. The CFD results are analyzed and discussed with respect to stall margin and flow separations due to induced distortions.

Keywords: axial compressor, distortions, angle, CFD, ANSYS-CFX®, bladegen®

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Authors: Neha Joshi, Srikanth Jois, Hector J. Peughero, Poornima Jayakrishna, Moulya R., Purnima Madivanan, Kiran Kumar K. Salagame

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Transgenders are a marginalized section of the community, who are at high risk of mental health problems due to their stigmatization, abandonment by family, prejudice, discrimination by society at large, and the physical, emotional, and sexual abuse from both within and outside their community. Their mental healthcare needs remain largely unaddressed due to lack of access, discrimination by healthcare professions, and lack of resources, including time and money, to seek conventional medical and psychotherapeutic treatments. Meditation is increasingly receiving acceptance as a tool for managing stress and anxiety by the patients as well as mental healthcare professionals. “Meditation on Twin Hearts” is a no cost, self-administered intervention that a person can practice anywhere and at any time of the day. This pilot study evaluates the need for alternate traditional and ingenious interventions like “Meditation of Twin Hearts” to address the mental healthcare needs of the transgender community and acceptance of such an intervention by the community. Thirteen individuals identifying themselves as transgender were invited to participate in one (Hunsur Taluk) of the five scheduled free meditation camps in Mysore. After obtaining informed consent for participation in the study, their mental health status is captured using an anonymous survey using standard, validated, self-reported questionnaires Generalised Anxiety Disorders (GAD)-7 for anxiety, Patient Health Questionnaire (PHQ-9) for depression, and Suicidal Behavior Questionnaire-Revised for suicidality. Then, they were requested to attend a session on “Meditation on Twin Hearts.” After the session, their feedback on willingness to further explore the meditation technique for managing their mental healthcare need was assessed through another survey form. Out of the 13 participants, 92% scored for anxiety (4 mild, and 8 moderate anxiety). In the depression scale, 5 scored for mild and 5 for moderate depression, with a total of 77% (10/13) scoring positively on depression scale. Nearly 70% of participants (9/13), scored greater than the clinical cutoff for the need for clinical intervention. The proportion of individuals at risk for suicide was particularly high in this group, with 8/ 13 (61.5%) participants scoring the clinical cutoff score of ≥ 7. Surprisingly, none of the participants had ever consulted a mental healthcare professional. All the participants (13/13; 100%) responded in affirmative to the question, “Will you be willing to continue meditation for management of your anxiety?” Six out of 13 participants described their experience of meditation as “happy” and 3 described it as “peaceful”. None of the participants reported any negative beliefs or experience regarding the meditation. The study provides evidence for the urgent yet unmet mental healthcare need of the transgender community. The findings of the study also supports the rationale of conducting future systematic research to evaluate and explore ingenious and traditional practices, such as meditation, to meet the healthcare needs, especially in marginalized populations in a low income setting such as Lower and Middle Income countries. Based on these preliminary findings, the Principal Investigator (PI) is planning to cover 4 more areas of Mysore district.

Keywords: anxiety, depression, meditation on twin heart, suicidality, transgender

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Authors: Madhu Aneja, Sapna Sharma

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The water-based bioconvection of a nanofluid containing motile gyrotactic micro-organisms over nonlinear inclined stretching sheet has been investigated. The governing nonlinear boundary layer equations of the model are reduced to a system of ordinary differential equations via Oberbeck-Boussinesq approximation and similarity transformations. Further, the modified set of equations with associated boundary conditions are solved using Finite Element Method. The impact of various pertinent parameters on the velocity, temperature, nanoparticles concentration, density of motile micro-organisms profiles are obtained and analyzed in details. The results show that with the increase in angle of inclination δ, velocity decreases while temperature, nanoparticles concentration, a density of motile micro-organisms increases. Additionally, the skin friction coefficient, Nusselt number, Sherwood number, density number are computed for various thermophysical parameters. It is noticed that increasing Brownian motion and thermophoresis parameter leads to an increase in temperature of fluid which results in a reduction in Nusselt number. On the contrary, Sherwood number rises with an increase in Brownian motion and thermophoresis parameter. The findings have been validated by comparing the results of special cases with existing studies.

Keywords: bioconvection, finite element method, gyrotactic micro-organisms, inclined stretching sheet, nanofluid

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Authors: Evln Ranga Charyulu, S. P. Venu Madhavarao, S. Udaya kumar, S. V. S. S. N. V. G. Krishna Murthy

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With the advent of new nanometer process technologies, it is possible to integrate billion transistors on a single substrate. When more and more functionality included there is the possibility of multi-million transistors switching simultaneously consuming more power and dissipating more power along with more leakage of current into the substrate of porous silicon or germanium material. These results in substrate heating and thermal noise generation coupled to signals of interest. The heating process is represented by coupled nonlinear partial differential equations in porous silicon and germanium. By identifying heat sources and heat fluxes may results in designing of ultra-low power circuits. The PDEs are solved by finite difference scheme assuming that boundary layer equations in porous silicon and germanium. Local heat fluxes along the vertical isothermal surface immersed in porous SI/Ge are considered. The parameters considered for optimization are thermal diffusivity, thermal expansion coefficient, thermal diffusion ratio, permeability, specific heat at constant temperatures, Rayleigh number, amplitude of wavy surface, mass expansion coefficient. The diffusion of heat was caused by the concentration gradient. Thermal physical properties are homogeneous and isotropic. By using L8, TAGUCHI method the parameters are optimized.

Keywords: heat transfer, pde, taguchi optimization, SI/Ge

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Authors: O. Afshar

Abstract:

Unlike other renewable energy sources, tidal current energy is an extremely reliable, predictable and continuous energy source as the current pattern and speed can be predicted throughout the year. A key concern associated with tidal turbines is their long-term reliability when operating in the hostile marine environment. Bio-fouling changes the physical shape and roughness of turbine components, hence altering the overall turbine performance. This paper seeks to employ Computational Fluid Dynamics (CFD) method to quantify the effects of this problem based on the obtained flow field information. The simulation is carried out on a NACA 63-618 aerofoil. The Reynolds Averaged Navier-Stokes (RANS) equations with Shear Stress Transport (SST) turbulent model are used to simulate the flow around the model. Different levels of fouling are studied on 2D aerofoil surface with quantified fouling height and density. In terms of lift and drag coefficient results, numerical results show good agreement with the experiment which was carried out in wind tunnel. Numerical results of research indicate that an increase in fouling thickness causes an increase in drag coefficient and a reduction in lift coefficient. Moreover, pressure gradient gradually becomes adverse as height of fouling increases. In addition, result by turbulent kinetic energy contour reveals it increases with fouling height and it extends into wake due to flow separation.

Keywords: tidal energy, lift coefficient, drag coefficient, roughness

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