Search results for: bi-conjugate gradient stabilized method

Authors: Mahacine Amrani

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A simple and rapid method for the determination of alcohol in gasoline-alcohol mixtures using density measurements is described. The method can determine a minimum of 1% of alcohol by volume. The precision of the method is ± 3%.The method is more useful for field test in the quality assessment of alcohol blended fuels.

Keywords: gasoline-alcohol, mixture, alcohol determination, density, measurement, Morocco

Procedia PDF Downloads 324

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

Procedia PDF Downloads 264

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

Procedia PDF Downloads 290

Authors: Yongzhe Zhao, Ying Liu, Zhiyong Liu, Hui You

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The soil behind retaining wall is normally subjected to cyclic loading, for example traffic loading. Geotextile has been widely used to reinforce the soil for the purpose of reducing the settlement of the soil. A series of physical model tests were performed to investigate the settlement of footing under cyclic loading. The settlement of the footing, ground deformation and the vertical earth pressure in subsoil were presented and discussed under different types of geotextiles. The results indicate that including geotextiles significantly decreases the footing settlement and the stiffer the geotextile, the less the settlement. Under cyclic loading, the soil below the footing shows dilation within certain depths and beyond that it experiences contraction. The location of footing relative to the retaining wall has important effects on the deformation behavior of the soil in the ground, and the closer the footing to the retaining wall, the greater the contraction soil shows. This is because the retaining wall experienced greater lateral displacement.

Keywords: physical model tests, reinforced retaining wall, cyclic loading, footing

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Authors: Melusi Khumalo, Anastacia Dlamini

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In this paper, we consider a numerical solution for nonlinear Fredholm integral equations of the second kind. We work with uniform mesh and use the Lagrange polynomials together with the Galerkin finite element method, where the weight function is chosen in such a way that it takes the form of the approximate solution but with arbitrary coefficients. We implement the finite element method to the nonlinear Fredholm integral equations of the second kind. We consider the error analysis of the method. Furthermore, we look at a specific example to illustrate the implementation of the finite element method.

Keywords: finite element method, Galerkin approach, Fredholm integral equations, nonlinear integral equations

Procedia PDF Downloads 377

Authors: Jiankang Wang, Hongyang Yu

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This paper proposes a portable online 3D modeling method. The method first utilizes a depth camera to collect data and compresses the depth data using a frame-by-frame lossless data compression method. The color image is encoded using the H.264 encoding format. After the cloud obtains the color image and depth image, a 3D modeling method based on bundlefusion is used to complete the 3D modeling. The results of this study indicate that this method has the characteristics of portability, online, and high efficiency and has a wide range of application prospects.

Keywords: 3D reconstruction, bundlefusion, lossless compression, depth image

Procedia PDF Downloads 82

Authors: Achraf Al Faraj, Asma Sultana Shaik, Baraa Al Sayed

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Specific and effective targeting of drug delivery systems (DDS) to cancerous sites remains a major challenge for a better diagnostic and therapy. Recently, SWCNTs with their unique physicochemical properties and the ability to cross the cell membrane show promising in the biomedical field. The purpose of this study was first to develop a biocompatible iron oxide tagged SWCNTs as diagnostic nanoprobes to allow their noninvasive detection using MRI and their preferential targeting in a breast cancer murine model by placing an optimized flexible magnet over the tumor site. Magnetic targeting was associated to specific antibody-conjugated SWCNTs active targeting. The therapeutic efficacy of doxorubicin-conjugated SWCNTs was assessed, and the superiority of diffusion-weighted (DW-) MRI as sensitive imaging biomarker was investigated. Short Polyvinylpyrrolidone (PVP) stabilized water soluble SWCNTs were first developed, tagged with iron oxide nanoparticles and conjugated with Endoglin/CD105 monoclonal antibodies. They were then conjugated with doxorubicin drugs. SWCNTs conjugates were extensively characterized using TEM, UV-Vis spectrophotometer, dynamic light scattering (DLS) zeta potential analysis and electron spin resonance (ESR) spectroscopy. Their MR relaxivities (i.e. r1 and r2*) were measured at 4.7T and their iron content and metal impurities quantified using ICP-MS. SWCNTs biocompatibility and drug efficacy were then evaluated both in vitro and in vivo using a set of immunological assays. Luciferase enhanced bioluminescence 4T1 mouse mammary tumor cells (4T1-Luc2) were injected into the right inguinal mammary fat pad of Balb/c mice. Tumor bearing mice received either free doxorubicin (DOX) drug or SWCNTs with or without either DOX or iron oxide nanoparticles. A multi-pole 10x10mm high-energy flexible magnet was maintained over the tumor site during 2 hours post-injections and their properties and polarity were optimized to allow enhanced magnetic targeting of SWCNTs toward the primary tumor site. Tumor volume was quantified during the follow-up investigation study using a fast spin echo MRI sequence. In order to detect the homing of SWCNTs to the main tumor site, susceptibility-weighted multi-gradient echo (MGE) sequence was used to generate T2* maps. Apparent diffusion coefficient (ADC) measurements were also performed as a sensitive imaging biomarker providing early and better assessment of disease treatment. At several times post-SWCNT injection, histological analysis were performed on tumor extracts and iron-loaded SWCNT were quantified using ICP-MS in tumor sites, liver, spleen, kidneys, and lung. The optimized multi-poles magnet revealed an enhanced targeting of magnetic SWCNTs to the primary tumor site, which was found to be much higher than the active targeting achieved using antibody-conjugated SWCNTs. Iron-loading allowed their sensitive noninvasive tracking after intravenous administration using MRI. The active targeting of doxorubicin through magnetic antibody-conjugated SWCNTs nanoprobes was found to considerably decrease the primary tumor site and may have inhibited the development of metastasis in the tumor-bearing mice lung. ADC measurements in DW-MRI were found to significantly increase in a time-dependent manner after the injection of DOX-conjugated SWCNTs complexes.

Keywords: single-walled carbon nanotubes, nanomedicine, magnetic resonance imaging, cancer diagnosis and therapy

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Authors: Haijie Li, Xuping Zhang

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This paper presents a computationally efficient method for the modeling of robot manipulators with flexible links and joints. This approach combines the Discrete Time Transfer Matrix Method with the Finite Segment Method, in which the flexible links are discretized by a number of rigid segments connected by torsion springs; and the flexibility of joints are modeled by torsion springs. The proposed method avoids the global dynamics and has the advantage of modeling non-uniform manipulators. Experiments and simulations of a single-link flexible manipulator are conducted for verifying the proposed methodologies. The simulations of a three-link robot arm with links and joints flexibility are also performed.

Keywords: flexible manipulator, transfer matrix method, linearization, finite segment method

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Authors: Mohammed Mustapha Alhaji, Sadiku Salawu

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A clay soil which classified under A-7-6 soil according to AASHTO soil classification system and CH according to the unified soil classification system was stabilized using A-3 soil (AASHTO soil classification system). The clay soil was replaced with 0%, 10%, 20% to 100% A-3 soil, compacted at both the BSL and BSH compaction energy level and using unconfined compressive strength as evaluation criteria. The MDD of the compactions at both the BSL and BSH compaction energy levels showed increase in MDD from 0% A-3 soil replacement to 40% A-3 soil replacement after which the values reduced to 100% A-3 soil replacement. The trend of the OMC with varied A-3 soil replacement is similar to that of MDD but in a reversed order. The OMC reduced from 0% A-3 soil replacement to 40% A-3 soil replacement after which the values increased to 100% A-3 soil replacement. This trend was attributed to the observed reduction in the void ratio from 0% A-3 soil replacement to 40% A-3 soil replacement after which the void ratio increased to 100% A-3 soil replacement. The maximum UCS for clay at varied A-3 soil replacement increased from 272 and 770kN/m2 for BSL and BSH compaction energy level at 0% A-3 soil replacement to 295 and 795kN/m2 for BSL and BSH compaction energy level respectively at 10% A-3 soil replacement after which the values reduced to 22 and 60kN/m2 for BSL and BSH compaction energy level respectively at 70% A-3 soil replacement. Beyond 70% A-3 soil replacement, the mixture cannot be moulded for UCS test.

Keywords: A-3 soil, clay minerals, pozzolanic action, stabilization

Procedia PDF Downloads 445

Authors: O. Afshar

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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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Authors: Ahmed Guerine, Ali El Hafidi, Bruno Martin, Philippe Leclaire

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In this paper, we propose a method for the dynamic response of multi-storey structures with uncertain-but-bounded parameters. The effectiveness of the proposed method is demonstrated by a numerical example of three-storey structures. This equation is integrated numerically using Newmark’s method. The numerical results are obtained by the proposed method. The simulation accounting the interval analysis method results are compared with a probabilistic approach results. The interval analysis method provides a mean curve that is between an upper and lower bound obtained from the probabilistic approach.

Keywords: multi-storey structure, dynamic response, interval analysis method, random parameters

Procedia PDF Downloads 191

Authors: N. Agon, T. Kavka, J. Vierendeels, M. Hrabovský, G. Van Oost

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A plasma jet model was developed with a rigorous method for calculating the thermophysical properties of the gas mixture without mixing rules. A simplified model approach to account for the anode effects was incorporated in this model to allow the valorization of the simulations with experimental results. The radial heat transfer was under-predicted by the model because of the limitations of the radiation model, but the calculated evolution of centerline temperature, velocity and gas composition downstream of the torch exit corresponded well with the measured values. The CFD modeling of thermal plasmas is either focused on development of the plasma arc or the flow of the plasma jet outside of the plasma torch. In the former case, the Maxwell equations are coupled with the Navier-Stokes equations to account for electromagnetic effects which control the movements of the anode arc attachment. In plasma jet simulations, however, the computational domain starts from the exit nozzle of the plasma torch and the influence of the arc attachment fluctuations on the plasma jet flow field is not included in the calculations. In that case, the thermal plasma flow is described by temperature, velocity and concentration profiles at the torch exit nozzle and no electromagnetic effects are taken into account. This simplified approach is widely used in literature and generally acceptable for plasma torches with a circular anode inside the torch chamber. The unique DC hybrid water/gas-stabilized plasma torch developed at the Institute of Plasma Physics of the Czech Academy of Sciences on the other hand, consists of a rotating anode disk, located outside of the torch chamber. Neglecting the effects of the anode arc attachment downstream of the torch exit nozzle leads to erroneous predictions of the flow field. With the simplified approach introduced in this model, the Joule heating between the exit nozzle and the anode attachment position of the plasma arc is modeled by a volume heat source and the jet deflection caused by the anode processes by a momentum source at the anode surface. Furthermore, radiation effects are included by the net emission coefficient (NEC) method and diffusion is modeled with the combined diffusion coefficient method. The time-averaged simulation results are compared with numerous experimental measurements. The radial temperature profiles were obtained by spectroscopic measurements at different axial positions downstream of the exit nozzle. The velocity profiles were evaluated from the time-dependent evolution of flow structures, recorded by photodiode arrays. The shape of the plasma jet was compared with charge-coupled device (CCD) camera pictures. In the cooler regions, the temperature was measured by enthalpy probe downstream of the exit nozzle and by thermocouples in radial direction around the torch nozzle. The model results correspond well with the experimental measurements. The decrease in centerline temperature and velocity is predicted within an acceptable range and the shape of the jet closely resembles the jet structure in the recorded images. The temperatures at the edge of the jet are underestimated due to the absence of radial radiative heat transfer in the model.

Keywords: anode arc attachment, CFD modeling, experimental comparison, thermal plasma jet

Procedia PDF Downloads 367

Authors: Somaya Adwan, Rasha Majed, Lamya'a Majed, Hamzah Arof

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In order to produce images with whole body parts, X-ray of different portions of the body parts is assembled using image stitching methods. A new method for image stitching that exploits mutually feature based method and direct based method to identify and merge pairs of X-ray medical images is presented in this paper. The performance of the proposed method based on this hybrid approach is investigated in this paper. The ability of the proposed method to stitch and merge the overlapping pairs of images is demonstrated. Our proposed method display comparable if not superior performance to other feature based methods that are mentioned in the literature on the standard databases. These results are promising and demonstrate the potential of the proposed method for further development to tackle more advanced stitching problems.

Keywords: image stitching, direct based method, panoramic image, X-ray

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Authors: Huda Aldossari

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Members of the Brassicaceae family, such as rocket species, have high concentrations of glucosinolates (GLSs). GSLs and isothiocyanates (ITCs), the product of GLSs hydrolysis, are the most influential compounds that affect flavour in rocket species. Aside from their contribution to the flavour, GSLs and ITCs are of particular interest due to their potential ability to inhibit the growth of human pathogenic bacteria such as E. coli O157. Quantitative and qualitative analysis of glucosinolate compounds in rocket extracts was obtained by Liquid Chromatography-Mass Spectrometry (LC–MS).Each individual component of non-volatile GLSs and ITCs was isolated by High-Performance Liquid Chromatography (HPLC) fractionation. The identity and purity of each fraction were confirmed using Ultra High-Performance Liquid Chromatography (UPLC). The separation of glucosinolates in the complex rocket extractions was performed by optimizing a HPLC fractionation method through changing the mobile phase composition, solvent gradient, and the flow rate. As a result, six glucosinolates compounds (Glucosativin, 4-Methoxyglucobrassicin, Glucotropaeolin GTP, Glucoiberin GIB, Diglucothiobenin, and Sinigrin) have been isolated, identified and quantified in the complex samples. This step aims to evaluate the antibacterial activity of glucosinolates and their enzymatic hydrolysis against bacterial growth of E.coli k12. Therefore, fractions from this study will be used to determine the most active compounds by investigating the efficacy of each component of GLSs and ITCs at inhibiting bacterial growth.

Keywords: rocket, glucosinolates, E.coli k12., HPLC fractionatio

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Authors: M. O. Olayiwola

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Numerical solutions of the generalized Burger-Fisher are obtained using a Modified Variational Iteration Method (MVIM) with minimal computational efforts. The computed results with this technique have been compared with other results. The present method is seen to be a very reliable alternative method to some existing techniques for such nonlinear problems.

Keywords: burger-fisher, modified variational iteration method, lagrange multiplier, Taylor’s series, partial differential equation

Procedia PDF Downloads 432

Authors: Habtamu Ayenew Asegie

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Wealth, as opposed to income or consumption, implies a more stable and permanent status. Due to natural and human-made difficulties, households' economies will be diminished, and their well-being will fall into trouble. Hence, governments and humanitarian agencies offer considerable resources for poverty and malnutrition reduction efforts. One key factor in the effectiveness of such efforts is the accuracy with which low-income or poor populations can be identified. As a result, this study aims to predict a household’s wealth status using ensemble Machine learning (ML) algorithms. In this study, design science research methodology (DSRM) is employed, and four ML algorithms, Random Forest (RF), Adaptive Boosting (AdaBoost), Light Gradient Boosted Machine (LightGBM), and Extreme Gradient Boosting (XGBoost), have been used to train models. The Ethiopian Demographic and Health Survey (EDHS) dataset is accessed for this purpose from the Central Statistical Agency (CSA)'s database. Various data pre-processing techniques were employed, and the model training has been conducted using the scikit learn Python library functions. Model evaluation is executed using various metrics like Accuracy, Precision, Recall, F1-score, area under curve-the receiver operating characteristics (AUC-ROC), and subjective evaluations of domain experts. An optimal subset of hyper-parameters for the algorithms was selected through the grid search function for the best prediction. The RF model has performed better than the rest of the algorithms by achieving an accuracy of 96.06% and is better suited as a solution model for our purpose. Following RF, LightGBM, XGBoost, and AdaBoost algorithms have an accuracy of 91.53%, 88.44%, and 58.55%, respectively. The findings suggest that some of the features like ‘Age of household head’, ‘Total children ever born’ in a family, ‘Main roof material’ of their house, ‘Region’ they lived in, whether a household uses ‘Electricity’ or not, and ‘Type of toilet facility’ of a household are determinant factors to be a focal point for economic policymakers. The determinant risk factors, extracted rules, and designed artifact achieved 82.28% of the domain expert’s evaluation. Overall, the study shows ML techniques are effective in predicting the wealth status of households.

Keywords: ensemble machine learning, households wealth status, predictive model, wealth status prediction

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Authors: Tahira Pirzada, Zahra Ashrafi, Saad Khan

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We present a facile and sustainable solid templating approach to fabricate highly porous, flexible and superhydrophobic aerogels of composite nanofibers of cellulose diacetate and silica which are produced through sol gel electrospinning. Scanning electron microscopy, contact angle measurement, and attenuated total reflection-Fourier transform infrared spectrometry are used to understand the structural features of the resultant aerogels while thermogravimetric analysis and differential scanning calorimetry demonstrate their thermal stability. These aerogels exhibit a self-supportive three-dimensional network abundant in large secondary pores surrounded by primary pores resulting in a highly porous structure. Thermal crosslinking of the aerogels has further stabilized their structure and flexibility without compromising on the porosity. Ease of processing, thermal stability, high porosity and oleophilic nature of these aerogels make them promising candidate for a wide variety of applications including acoustic and thermal insulation and oil and water separation.

Keywords: hybrid aerogels, sol-gel electrospinning, oil-water separation, nanofibers

Procedia PDF Downloads 159

Authors: Mohammad Ahmad, Dayalan Kasilingam

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In this paper, a spectral domain implementation of the fast multipole method is presented. It is shown that the aggregation, translation, and disaggregation stages of the fast multipole method (FMM) can be performed using the spectral domain (SD) analysis. The spectral domain fast multipole method (SD-FMM) has the advantage of eliminating the near field/far field classification used in conventional FMM formulation. The study focuses on the application of SD-FMM to one-dimensional (1D) and two-dimensional (2D) electric field integral equation (EFIE). The case of perfectly conducting strip, circular and square cylinders are numerically analyzed and compared with the results from the standard method of moments (MoM).

Keywords: electric field integral equation, fast multipole method, method of moments, wave scattering, spectral domain

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Authors: Alkaben Patel

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The proposed RP-HPLC method is easy, rapid, economical, precise and accurate stability indicating RP-HPLC method for simultaneous estimation of Astorvastatin and Methylcobalamine in their combined dosage form has been developed.The separation was achieved by LC-20 AT C18(250mm*4.6mm*2.6mm)Colum and water (pH 3.5): methanol 70:30 as mobile phase, at a flow rate of 1ml/min. wavelength of this dosage form is 215nm.The drug is related to stress condition of hydrolysis, oxidation, photolysis and thermal degradation.

Keywords: RP- HPLC, atorvastatin, methylcobalamine, method, development, validation

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Authors: Morteza Shayan Arani, Mohammadamin Esmailzadehazimi, Mohammadreza Moeini, Mohammad Toorani, Aouni A. Lakis

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This paper investigates the nonlinear response of thin, incompressible, hyperelastic cylindrical shells in the presence of a time-varying temperature field while considering initial geometric imperfections. The governing equations of motion are derived using an improved Donnell's shallow shell theory. The hyperelastic material is modeled using the Mooney-Rivlin model with two parameters, incorporating temperature-dependent terms. The Lagrangian method is applied to obtain the equation of motion. The resulting governing equation is addressed through the Lindstedt-Poincaré and Multiple Scale methods. The linear and nonlinear models presented in this study are verified against existing open literature, demonstrating the accuracy and reliability of the presented model. The study focuses on understanding the influence of temperature variations and geometrical imperfections on the natural frequency and amplitude-frequency response of the systems. Notably, the investigation reveals the coexistence of hardening and softening peaks in the amplitude-frequency response, which vary in magnitude depending on these parameters. Additionally, resonance peaks exhibit changes as a result of temperature and geometric imperfections.

Keywords: hyperelastic material, cylindrical shell, geometrical nonlinearity, material naolinearity, initial geometric imperfection, temperature gradient, hardening and softening

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Authors: Tomas Menard

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The design of control-law for engineering systems has been investigated for many decades. While many results are concerned with continuous systems with continuous output, nowadays, many controlled systems have to transmit their output measurements through network, hence making it discrete-time. But it is well known that the sampling of a system whose control-law is based on the continuous output may render the system unstable, especially when this sampling period is long compared to the system dynamics. The control design then has to be adapted in order to cope with this issue. In this paper, we consider systems which can be modeled as double integrator with uncertainty on the input since many mechanical systems can be put under such form. We present a control scheme based on an observer using only discrete time measurement and which provides continuous time estimation of the state, combined with a continuous control law, which stabilized a system with second-order dynamics even in the presence of uncertainty. It is further shown that arbitrarily long sampling periods can be dealt with properly setting the control scheme parameters.

Keywords: dynamical system, control law design, sampled output, observer design

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Authors: V. Radulescu, S. Dumitru

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Introduction: Determination of the temperature field inside a fluid in motion has many practical issues, especially in the case of turbulent flow. The phenomenon is greater when the solid walls have a different temperature than the fluid. The turbulent heat and mass transfer have an essential role in case of the thermal pollution, as it was the recorded during the damage of the Thermoelectric Power-plant Oradea (closed even today). Basic Methods: Solving the theoretical turbulent thermal pollution represents a particularly difficult problem. By using the semi-empirical theories or by simplifying the made assumptions, based on the experimental measurements may be assured the elaboration of the mathematical model for further numerical simulations. The three zones of flow are analyzed separately: the vicinity of the solid wall, the turbulent transition zone, and the turbulent core. For each area are determined the distribution law of temperature. It is determined the dependence of between the Stanton and Prandtl numbers with correction factors, based on measurements experimental. Major Findings/Results: The limitation of the laminar thermal substrate was determined based on the theory of Landau and Levice, using the assumption that the longitudinal component of the velocity pulsation and the pulsation’s frequency varies proportionally with the distance to the wall. For the calculation of the average temperature, the formula is used a similar solution as for the velocity, by an analogous mediation. On these assumptions, the numerical modeling was performed with a gradient of temperature for the turbulent flow in pipes (intact or damaged, with cracks) having 4 different diameters, between 200-500 mm, as there were in the Thermoelectric Power-plant Oradea. Conclusions: It was made a superposition between the molecular viscosity and the turbulent one, followed by addition between the molecular and the turbulent transfer coefficients, necessary to elaborate the theoretical and the numerical modeling. The concept of laminar boundary layer has a different thickness when it is compared the flow with heat transfer and that one without a temperature gradient. The obtained results are within the margin of error of 5%, between the semi-empirical classical theories and the developed model, based on the experimental data. Finally, it is obtained a general correlation between the Stanton number and the Prandtl number, for a specific flow (with associated Reynolds number).

Keywords: experimental measurements, numerical correlations, thermal pollution through pipelines, turbulent thermal flow

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Authors: Ferid Hammami

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The molecular geometries of the possible conformations of pyruvic acid-water complexes (PA-(H₂O)ₙ = 1- 4) have been fully optimized at DFT/B3LYP/6-311G ++ (d, p) levels of calculation. Among several optimized molecular clusters, the most stable molecular arrangements obtained when one, two, three, and four water molecules are hydrogen-bonded to a central pyruvic acid molecule are presented in this paper. Apposite topological and geometrical parameters are considered as primary indicators of H-bond strength. Atoms in molecules (AIM) analysis shows that pyruvic acid can form a ring structure with water, and the molecular structures are stabilized by both strong O-H...O and C-H...O hydrogen bonds. In large clusters, classical O-H...O hydrogen bonds still exist between water molecules, and a cage-like structure is built around some parts of the central molecule of pyruvic acid. The electrostatic potential energy map (MEP) and the HOMO-LUMO molecular orbital (highest occupied molecular orbital-lowest unoccupied molecular orbital) analysis has been performed for all considered complexes.

Keywords: pyruvic acid, PA-water complex, hydrogen bonding, DFT, AIM, MEP, HOMO-LUMO

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Authors: Gabriel Wosiak, Felipe Staciaki, Eryka Nobrega, Ernesto Pereira

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Hydrogen is an energy carrier with potential applications in various industries. Alkaline electrolysis is a commonly used method for hydrogen production; however, its energy cost remains relatively high compared to other methods. This is due in part to interfacial pH changes that occur during the electrolysis process. Interfacial pH changes refer to the changes in pH that occur at the interface between the cathode electrode and the electrolyte solution. These changes are caused by the electrochemical reactions at both electrodes, which consume or produces hydroxide ions (OH-) from the electrolyte solution. This results in an important change in the local pH at the electrode surface, which can have several impacts on the energy consumption and durability of electrolysers. One impact of interfacial pH changes is an increase in the overpotential required for hydrogen production. Overpotential is the difference between the theoretical potential required for a reaction to occur and the actual potential that is applied to the electrodes. In the case of water electrolysis, the overpotential is caused by a number of factors, including the mass transport of reactants and products to and from the electrodes, the kinetics of the electrochemical reactions, and the interfacial pH. An increase in the interfacial pH at the anode surface in alkaline conditions can lead to an increase in the overpotential for hydrogen production. This is because the lower local pH makes it more difficult for the hydroxide ions to be oxidized. As a result, there is an increase in the required energy to the process occur. In addition to increasing the overpotential, interfacial pH changes can also lead to the degradation of the electrodes. This is because the lower pH can make the electrode more susceptible to corrosion. As a result, the electrodes may need to be replaced more frequently, which can increase the overall cost of water electrolysis. The method presented in the paper addresses the issue of interfacial pH changes by using a cell design with a different cell design, introducing the electrode asymmetry. This design helps to mitigate the pH gradient at the anode/electrolyte interface, which reduces the overpotential and improves the energy efficiency of the electrolyser. The method was tested using a multivariate approach in both laboratory and industrial current density conditions and validated the results with numerical simulations. The results demonstrated a clear improvement (11.6%) in energy efficiency, providing an important contribution to the field of sustainable energy production. The findings of the paper have important implications for the development of cost-effective and sustainable hydrogen production methods. By mitigating interfacial pH changes, it is possible to improve the energy efficiency of alkaline electrolysis and make it a more competitive option for hydrogen production.

Keywords: electrolyser, interfacial pH, numerical simulation, optimization, asymmetric cell

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Authors: Neda Azimi, Masoud Rahimi, Faezeh Mohammadi

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Computational fluid dynamics (CFD) simulation was performed to investigate the effect of ferrofluid stimulation on hydrodynamic and mass transfer characteristics of two immiscible liquid phases in a Y-micromixer. The main purpose of this work was to develop a numerical model that is able to simulate hydrodynamic of the ferrofluid flow under magnetic field and determine its effect on mass transfer characteristics. A uniform external magnetic field was applied perpendicular to the flow direction. The volume of fluid (VOF) approach was used for simulating the multiphase flow of ferrofluid and two-immiscible liquid flows. The geometric reconstruction scheme (Geo-Reconstruct) based on piecewise linear interpolation (PLIC) was used for reconstruction of the interface in the VOF approach. The mass transfer rate was defined via an equation as a function of mass concentration gradient of the transported species and added into the phase interaction panel using the user-defined function (UDF). The magnetic field was solved numerically by Fluent MHD module based on solving the magnetic induction equation method. CFD results were validated by experimental data and good agreements have been achieved, which maximum relative error for extraction efficiency was about 7.52 %. It was showed that ferrofluid actuation by a magnetic field can be considered as an efficient mixing agent for liquid-liquid two-phase mass transfer in microdevices.

Keywords: CFD modeling, hydrodynamic, micromixer, ferrofluid, mixing

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Authors: Sumachaya Harnsukworapanich, Tetsuo Ichimori

Abstract:

The apportionment method is used by many countries, to calculate the distribution of seats in political bodies. For example, this method is used in the United States (U.S.) to distribute house seats proportionally based on the population of the electoral district. Famous apportionment methods include the divisor methods called the Adams Method, Dean Method, Hill Method, Jefferson Method and Webster Method. Sometimes the results from the implementation of these divisor methods are unfair and include errors. Therefore, it is important to examine the optimization of this method by using a bias measurement to figure out precise and fair results. In this research we investigate the bias of divisor methods in the U.S. Houses of Representatives toward large and small states by applying the Stolarsky Mean Method. We compare the bias of the apportionment method by using two famous bias measurements: The Balinski and Young measurement and the Ernst measurement. Both measurements have a formula for large and small states. The Third measurement however, which was created by the researchers, did not factor in the element of large and small states into the formula. All three measurements are compared and the results show that our measurement produces similar results to the other two famous measurements.

Keywords: apportionment, bias, divisor, fair, measurement

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Authors: Mei-Jie Xu, Yang Zhong

Abstract:

Based on the symplectic geometry method, the theory of Hamilton system can be applied in the analysis of problem solved using the theory of elasticity and in the solution of elliptic partial differential equations. With this technique, this paper derives the theoretical solution for a thick rectangular plate with four free edges supported on a Winkler foundation by variable separation method. In this method, the governing equation of thick plate was first transformed into state equations in the Hamilton space. The theoretical solution of this problem was next obtained by applying the method of variable separation based on the Hamilton system. Compared with traditional theoretical solutions for rectangular plates, this method has the advantage of not having to assume the form of deflection functions in the solution process. Numerical examples are presented to verify the validity of the proposed solution method.

Keywords: symplectic geometry method, Winkler foundation, thick rectangular plate, variable separation method, Hamilton system

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Authors: Igor B. Sivaev

Abstract:

Design of molecular machines is an extraordinary growing and very important area of research that it was recognized by awarding Sauvage, Stoddart and Feringa the Nobel Prize in Chemistry in 2016 'for the design and synthesis of molecular machines'. Based on the type of motion being performed, molecular machines can be divided into two main types: molecular motors and molecular switches. Molecular switches are molecules or supramolecular complexes having bistability, i.e., the ability to exist in two or more stable forms, among which may be reversible transitions under external influence (heating, lighting, changing the medium acidity, the action of chemicals, exposure to magnetic or electric field). Molecular switches are the main structural element of any molecular electronics devices. Therefore, the design and the study of molecules and supramolecular systems capable of performing mechanical movement is an important and urgent problem of modern chemistry. There is growing interest in molecular switches and other devices of molecular electronics based on transition metal complexes; therefore choice of suitable stable organometallic unit is of great importance. An example of such unit is bis(dicarbollide) complexes of transition metals [3,3’-M(1,2-C₂B₉H₁₁)₂]ⁿ⁻. The control on the ligand rotation in such complexes can be reached by introducing substituents which could provide stabilization of certain rotamers due to specific interactions between the ligands, on the one hand, and which can participate as Lewis bases in complex formation with external metals resulting in a change in the rotation angle of the ligands, on the other hand. A series of isomeric methyl sulfide derivatives of cobalt bis(dicarbollide) complexes containing methyl sulfide substituents at boron atoms in different positions of the pentagonal face of the dicarbollide ligands [8,8’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻, rac-[4,4’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ and meso-[4,7’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ were synthesized by the reaction of CoCl₂ with the corresponding methyl sulfide carborane derivatives [10-MeS-7,8-C₂B₉H₁₁)₂]⁻ and [10-MeS-7,8-C₂B₉H₁₁)₂]⁻. In the case of asymmetrically substituted cobalt bis(dicarbollide) complexes the corresponding rac- and meso-isomers were successfully separated by column chromatography as the tetrabutylammonium salts. The compounds obtained were studied by the methods of ¹H, ¹³C, and ¹¹B NMR spectroscopy, single crystal X-ray diffraction, cyclic voltammetry, controlled potential coulometry and quantum chemical calculations. It was found that in the solid state, the transoid- and gauche-conformations of the 8,8’- and 4,4’-isomers are stabilized by four intramolecular CH···S(Me)B hydrogen bonds each one (2.683-2.712 Å and 2.709-2.752 Å, respectively), whereas gauche-conformation of the 4,7’-isomer is stabilized by two intramolecular CH···S hydrogen bonds (2.699-2.711 Å). The existence of the intramolecular CH·S(Me)B hydrogen bonding in solutions was supported by the 1H NMR spectroscopy. These data are in a good agreement with results of the quantum chemical calculations. The corresponding iron and nickel complexes were synthesized as well. The reaction of the methyl sulfide derivatives of cobalt bis(dicarbollide) with various labile transition metal complexes results in rupture of intramolecular hydrogen bonds and complexation of the methyl sulfide groups with external metal. This results in stabilization of other rotational conformation of cobalt bis(dicarbollide) and can be used in design of molecular switches. This work was supported by the Russian Science Foundation (16-13-10331).

Keywords: molecular switches, NMR spectroscopy, single crystal X-ray diffraction, transition metal bis(dicarbollide) complexes, quantum chemical calculations

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Authors: Sajjad Shalsouz, Hamid karamipour

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Islamic civilization after a period of glory in the ninth and tenth centuries AD, known as the Islamic Renaissance, stagnated and declined from the eleventh century, despite the political and military power of Islamic governments, faced a scientific and cultural decline in later, foreign invaders such as the Mongol invasion, the Crusades, and Timur invasions also caused severe political, social, and economic instability, some of which were never remedied. Lack of growth of intellectual sciences in Islamic societies, which is necessary for the growth and development of any civilization, and lack of attention of the ruling class and the masses to this important factor, the tyranny of kings, social and economic turmoil from the thirteenth century onwards, absence of Islamic societies from global developments all intensified and stabilized the decline Islamic civilizations, the consequences of which are still evident. This article tries to deal with the historical factors of this decline and decadence from the 11th century to the contemporary era by examining historical events and issues and achieves a desirable and efficient result in this field.

Keywords: Islamic civilization, decline, historical factors, intellectual sciences

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Authors: H. N. Agiza, M. A. Sohaly, M. A. Elfouly

Abstract:

Parkinson's disease (PD) is a heterogeneous disorder with common age of onset, symptoms, and progression levels. In this paper we will solve analytically the PD model as a non-linear delay differential equation using the steps method. The step method transforms a system of delay differential equations (DDEs) into systems of ordinary differential equations (ODEs). On some numerical examples, the analytical solution will be difficult. So we will approximate the analytical solution using Picard method and Taylor method to ODEs.

Keywords: Parkinson's disease, step method, delay differential equation, two delays

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