Search results for: TD-DFT calculations

Authors: Yue-Tzu Yang, Peng-Jen Chen

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The present study deals with the numerical optimization of wavy channel with the help of genetic algorithm (GA). Three design variables related to the wave amplitude (A), the wavelength (λ) and the channel aspect ratio (α) are chosen and their ranges are decided through preliminary calculations of three-dimensional Navier-stokes and energy equations. A parametric study is also performed to show the effects of different design variables on the overall performance of the wavy channel. Objective functions related to the heat transfer and pressure drop, performance factor (PF) is formulated to analyze the performance of the wavy channel. The numerical results show that the wave amplitude and the channel aspect ratio have significant effects on the thermal performance. It can improve the performance of the wavy channels by increasing wave amplitude or decreasing the channel aspect ratio. Increasing wavelengths have no significant effects on the heat transfer performance.

Keywords: wavy channel, genetic algorithm, optimization, numerical simulation

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Authors: Saad Bin Saeed, Fayzan Ahmed, Shahbaz Ahmed, Amjad Hussain

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The aim of this study is to evaluate dynamic log files (Dynalogs) at different dose rates by dose-volume histograms (DVH) and used as a (QA) procedure of IMRT. Seven patients of phase one head and neck cancer with similar OAR`s are selected randomly. Reference plans of dose rate 300 and 600 MU/Min with prescribed dose of 50Gy in 25 fractions for each patient is made. Dynalogs produced by delivery of reference plans processed by in-house MATLAB program which produces new field files contain actual positions of multi-leaf collimators (MLC`s) instead of planned positions in reference plans. Copies of reference plans are used to import new field files generated by MATLAB program and renamed as Dyn.plan. After dose calculations of Dyn.plans for different dose rates, DVH, and multiple linear regression tools are used to evaluate reference and Dyn.plans. The results indicate good agreement of correlation between different dose rate plans. The maximum dose difference among PTV and OAR`s are found to be less than 5% and 9% respectively. The study indicates the potential of dynalogs to be used as patient-specific QA of IMRT at different dose rate.

Keywords: IMRT, dynalogs, dose rate, DVH

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Authors: Zainul Huda, Mohammed Hani Ajani

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The design, manufacture, and operation of thin-walled pressure vessels must be based on maximum safe operating pressure and an adequate factor of safety (FoS). This research paper first reports experimental evaluation of longitudinal and hoops stresses based on working pressure as well as maximum pressure; and then includes a critical study of factor of safety (FoS) in the design of a glass fiber pressure vessel. Experimental work involved the use of measuring instruments and the readings from pressure gauges. Design calculations involved the computations of design stress and FoS; the latter was based on breaking strength of 55 MPa for the glass fiber (pressure-vessel material). The experimentally determined FoS value has been critically compared with the general FoS allowed in the design of glass fiber pressure vessels.

Keywords: thin-walled pressure vessel, hoop stress, longitudinal stress, factor of safety (FoS), fiberglass

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Authors: Zainul Huda, Mohammad Hani Ajani

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The design, manufacture, and operation of thin-walled pressure vessels must be based on maximum safe operating pressure and an adequate factor of safety (FoS). This research paper first reports experimental evaluation of longitudinal and hoops stresses based on working pressure as well as maximum pressure; and then includes a critical study of factor of safety (FoS) in the design of a glass fiber pressure vessel. Experimental work involved the use of measuring instruments and the readings from pressure gauges. Design calculations involved the computations of design stress and FoS; the latter was based on breaking strength of 55 MPa for the glass fiber (pressure-vessel material). The experimentally determined FoS value has been critically compared with the general FoS allowed in the design of glass fiber pressure vessels.

Keywords: thin-walled pressure vessel, hoop stress, longitudinal stress, factor of safety (FoS), fiberglass

Procedia PDF Downloads 491

Authors: K. N. Seetharamu, Naveen Teggi, Kiranakumar Dhavalagi, Narayana Kamath

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A method of temperature calculations is developed to study the conditions leading to hot spot occurrence on multicore chips. A physical model which has salient features of multicore chips is incorporated for the analysis. The model consists of active and background cell laid out in a checkered pattern, and this pattern repeats itself in each fine grain active cells. The die has three layers i) body ii) buried oxide layer iii) wiring layer, stacked one above the other with heat source placed at the interface between wiring and buried oxide layer. With this model we propose analytical method to calculate the target hotspot temperature, heat flow to top and bottom layers of the die and thermal resistance components at each granularity level, assuming appropriate values of die dimensions and parameters. Finally we attempt to find an easier method for the calculation of the target hotspot temperature using graph.

Keywords: checkered pattern, granularity level, heat conduction, multicore chips, target hotspot temperature

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Authors: Nasiri Ahmadullah, Shimozato Tetsuhiro, Masayuki Tai

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This paper presents the step-by-step procedure for using Elastic Theory to calculate the internal stresses in composite bridge girders prestressed by the Preflexing Technology, called Prebeam in Japan and Preflex beam worldwide. Elastic Theory approaches preflex beams the same way as it does the conventional composite girders. Since preflex beam undergoes different stages of construction, calculations are made using different sectional and material properties. Stresses are calculated in every stage using the properties of the specific section. Stress accumulation gives the available stress in a section of interest. Concrete presence in the section implies prestress loss due to creep and shrinkage, however; more work is required to be done in this field. In addition to the graphical presentation of this application, this paper further discusses important notes of graphical comparison between the results of an experimental-only research carried out on a preflex beam, with the results of simulation based on the elastic theory approach, for an identical beam using Finite Element Modeling (FEM) by the author.

Keywords: composite girder, Elastic Theory, preflex beam, prestressing

Procedia PDF Downloads 279

Authors: Francesco Pandolfi, Georgios Baltzopoulos, Iunio Iervolino

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The impact of extreme winds on industrial assets and the built environment is gaining increasing attention from stakeholders, including the corporate insurance industry. This has led to a progressively more in-depth study of building vulnerability and fragility to wind. Wind vulnerability models are used in probabilistic risk assessment to relate a loss metric to an intensity measure of the natural event, usually a gust or a mean wind speed. In fact, vulnerability models can be integrated with the wind hazard, which consists of associating a probability to each intensity level in a time interval (e.g., by means of return periods) to provide an assessment of future losses due to extreme wind. This has also given impulse to the world- and regional-scale wind hazard studies.Another approach often adopted for the probabilistic description of building vulnerability to the wind is the use of fragility functions, which provide the conditional probability that selected building components will exceed certain damage states, given wind intensity. In fact, in wind engineering literature, it is more common to find structural system- or component-level fragility functions rather than wind vulnerability models for an entire building. Loss assessment based on component fragilities requires some logical combination rules that define the building’s damage state given the damage state of each component and the availability of a consequence model that provides the losses associated with each damage state. When risk calculations are based on numerical simulation of a structure’s behavior during extreme wind scenarios, the interaction of component fragilities is intertwined with the computational procedure. However, simulation-based approaches are usually computationally demanding and case-specific. In this context, the present work introduces the ExtReMe wind risk assESsment prototype Software, ERMESS, which is being developed at the University of Naples Federico II. ERMESS is a wind risk assessment tool for insurance applications to industrial facilities, collecting a wide assortment of available wind vulnerability models and fragility functions to facilitate their incorporation into risk calculations based on in-built or user-defined wind hazard data. This software implements an alternative method for building-specific risk assessment based on existing component-level fragility functions and on a number of simplifying assumptions for their interactions. The applicability of this alternative procedure is explored by means of an illustrative proof-of-concept example, which considers four main building components, namely: the roof covering, roof structure, envelope wall and envelope openings. The application shows that, despite the simplifying assumptions, the procedure can yield risk evaluations that are comparable to those obtained via more rigorous building-level simulation-based methods, at least in the considered example. The advantage of this approach is shown to lie in the fact that a database of building component fragility curves can be put to use for the development of new wind vulnerability models to cover building typologies not yet adequately covered by existing works and whose rigorous development is usually beyond the budget of portfolio-related industrial applications.

Keywords: component wind fragility, probabilistic risk assessment, vulnerability model, wind-induced losses

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Authors: Christina Eleftheria Tzeliou, Demeter Tzeli

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Introduction: Molecular Logic Gates (MLGs) are molecular machines that can perform complex work, such as solving logic operations. Molecular switches, which are molecules that can experience chemical changes are examples of successful types of MLGs. Recently, Quintana-Romero and Ariza-Castolo studied experimentally six stable pseudo-hemi-indigo-derived MLGs capable of solving complex logic operations. The MLG design relies on a molecular switch that experiences Z and E isomerism, thus the molecular switch's axis has to be a double bond. The hemi-indigo structure was preferred for the assembly of molecular switches due to its interaction with visible light. Z and E pseudo-hemi-indigo isomers can also be utilized for selective isomerization as they have distinct absorption spectra. Methodology: Here, the photophysical properties of pseudo-hemi-indigo derivatives are examined, i.e., derivatives of molecule 1 with anthracene, naphthalene, phenanthrene, pyrene, and pyrrole. In conjunction with some trials that were conducted, the level of theory mentioned subsequently was determined. The structures under study were optimized in both cis and trans conformations at the PBE0/6-31G(d,p) level of theory. The absorption spectra of the structures were calculated at PBE0/DEF2TZVP. In all cases, the absorption spectra of the studied systems were calculated including up to 50 singlet- and triplet-spin excited electronic states. Transition states (cis → cis, cis → trans, and trans → trans) were obtained in cases where it was possible, with PBE0/6-31G(d,p) for the optimization of the transition states and PBE0/DEF2TZVP for the respective absorption spectra. Emission spectra were obtained for the first singlet state of each molecule in cis both and trans conformations in PBE0/DEF2TZVP as well. All studies were performed in chloroform solvent that was added as a dielectric constant and the polarizable continuum model was also employed. Findings: Shifts of up to 25 nm are observed in the absorption spectra due to cis-trans isomerization, while the transition state is shifted up to about 150 nm. The electron density distribution is also examined, where charge transfer and electron transfer phenomena are observed regarding the three excitations of interest, i.e., H-1 → L, H → L and H → L+1. Emission spectra calculations were also carried out at PBE0/DEF2TZVP for the complete investigation of these molecules. Using protonation as input, selected molecules act as MLGs. Conclusion: Theoretical data so far indicate that both cis-trans isomerization, and cis-cis and trans-trans conformer isomerization affect the UV-visible absorption and emission spectra. Specifically, shifts of up to 30 nm are observed, while the transition state is shifted up to about 150 nm in cis-cis isomerization. The computational data obtained are in agreement with available experimental data, which have predicted that the pyrrole derivative is a MLG at 445 nm and 400 nm using protonation as input, while the anthracene derivative is a MLG that operates at 445 nm using protonation as input. Finally, it was found that selected molecules are candidates as MLG using protonation and light as inputs. These MLGs could be used as chemical sensors or as particular intracellular indicators, among several other applications. Acknowledgements: The author acknowledges the Hellenic Foundation for Research and Innovation for the financial support of this project (Fellowship Number: 21006).

Keywords: absorption spectra, DFT calculations, isomerization, molecular logic gates

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Authors: M. M. El-Awad

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This paper deals with the introduction of thermal-design optimisation to engineering students by using Microsoft's Excel as a modelling platform. Thermal-design optimisation is an iterative process which involves the evaluation of many thermo-physical properties that vary with temperature and/or pressure. Therefore, suitable modelling software, such as Engineering Equation Solver (EES) or Interactive Thermodynamics (IT), is usually used for this purpose. However, such proprietary applications may not be available to many educational institutions in developing countries. This paper presents a simple thermal-design case that demonstrates how the principles of thermo-fluids and economics can be jointly applied so as to find an optimum solution to a thermal-design problem. The paper describes the solution steps and provides all the equations needed to solve the case with Microsoft Excel. The paper also highlights the advantage of using VBA (Visual Basic for Applications) for developing user-defined functions when repetitive or complex calculations are met. VBA makes Excel a powerful, yet affordable, the computational platform for introducing various engineering principles.

Keywords: engineering education, thermal design, Excel, VBA, user-defined functions

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Authors: Sukron Makmun, Topan Firmandha, Siswanto

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Ultimate Strength Assessment on ship cross section in accordance with Biro Klasifikasi Indonesia (BKI) Rules for Hull, follows step by step incremental iterative approach. In this approach, ship cross section is divided into plate-stiffener combinations and hard corners element. The average stress-strain relationship (σ-ε) for all structural elements will be defined, where the subscript k refers to the modes 0, 1, 2, 3 or 4. These results would be verified with a commercial software calculation in similar cases. The numerical calculations of buckling strength are in accordance with the commercial software (GL Rules ND). Then the comparison of failure behaviours of stiffened panels and hard corners are presented. Where failure modes 3 are likely to occur first follows the failure mode 4 and the last one is the failure mode 1.

Keywords: ultimate strength assessment, BKI rules, incremental, plate-stiffener combination and hard corner, commercial software

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Authors: Mohammad S. Rouhi, Magdalena Juntikka

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Processing of polymer fiber composites has a remarkable influence on their mechanical performance. These mechanical properties are even more influenced when using recycled reinforcement. Therefore, we place particular attention on the evaluation of micromechanical models to estimate the mechanical properties and compare them against the experimental results of the manufactured composites. For the manufacturing process, an epoxy matrix and carbon fiber production cut-offs as reinforcing material are incorporated using a vacuum infusion process. In addition, continuous textile reinforcement in combination with the epoxy matrix is used as reference material to evaluate the kick-down in mechanical performance of the recycled composite. The experimental results show less degradation of the composite stiffness compared to the strength properties. Observations from the modeling also show the same trend as the error between the theoretical and experimental results is lower for stiffness comparisons than the strength calculations. Yet still, good mechanical performance for specific applications can be expected from these materials.

Keywords: composite recycling, carbon fibers, mechanical properties, micromechanics

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Authors: Yasemin Kaya, Ahmet N. Eraslan

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In this study, the thermoelastic behavior of a long tube is studied by taking into account the temperature dependency of all mechanical and thermal properties. As the tube is heated slowly, an uncoupled solution procedure is adopted under free and radially constrained boundary conditions. The nonlinear heat conduction equation is solved by a finite element collocation procedure and the corresponding distributions of stress and strain are computed by shooting iterations. The computational model is verified in comparison to the analytical solution by shutting down the temperature dependency of physical properties. In the analysis, experimental data available in the literature is used to describe the coefficient of thermal expansion $\alpha$, the thermal conductivity $k$, the modulus of rigidity $G$, the yield strength $\sigma_{0}$, and the Poisson's ratio $\nu$ of Nickel. Results of the analysis are presented in comparison to those having constant physical properties. As a result of the calculations, the temperature dependency of the material properties should be taken into account at higher temperature ranges.

Keywords: thermoelasticity, long tube, temperature-dependent properties, internal heating

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Authors: Michaela Chovancova, Jakub Elcner

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Real bronchial tree is very complicated piping system. Analysis of flow and pressure losses in this system is very difficult. Due to the complex geometry and the very small size in the lower generations is examination by CFD possible only in the central part of bronchial tree. For specify the pressure losses of lower generations is necessary to provide a mathematical equation. Determination of mathematical formulas for calculating the pressure losses in the real lungs is due to its complexity and diversity lengthy and inefficient process. For these calculations is necessary the lungs to slightly simplify (same cross-section over the length of individual generation) or use one of the models of lungs. The simplification could cause deviations from real values. The article compares the values of pressure losses obtained from CFD simulation of air flow in the central part of the real bronchial tree with the values calculated in a slightly simplified real lungs by using a mathematical relationship derived from the Bernoulli equation and continuity equation. Then, evaluate the desirability of using this formula to determine the pressure loss across the bronchial tree.

Keywords: pressure gradient, airways resistance, real geometry of bronchial tree, breathing

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Authors: Natalie Hoyer

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Bridges in both roadway and railway systems depend on bearings to ensure extended service life and functionality. These bearings enable proper load distribution from the superstructure to the substructure while permitting controlled movement of the superstructure. The design of bridge bearings, according to Eurocode DIN EN 1337 and the relevant sections of DIN EN 1993, increasingly requires the use of thick plates, especially for long-span bridges. However, these plate thicknesses exceed the limits specified in the national appendix of DIN EN 1993-2. Furthermore, compliance with DIN EN 1993-1-10 regulations regarding material toughness and through-thickness properties necessitates further modifications. Consequently, these standards cannot be directly applied to the selection of bearing materials without supplementary guidance and design rules. In this context, a recommendation was developed in 2011 to regulate the selection of appropriate steel grades for bearing components. Prior to the initiation of the research project underlying this contribution, this recommendation had only been available as a technical bulletin. Since July 2023, it has been integrated into guideline 804 of the German railway. However, recent findings indicate that certain bridge-bearing components are exposed to high fatigue loads, which necessitate consideration in structural design, material selection, and calculations. Therefore, the German Centre for Rail Traffic Research called a research project with the objective of defining a proposal to expand the current standards in order to implement a sufficient choice of steel material for bridge bearings to avoid brittle fracture, even for thick plates and components subjected to specific fatigue loads. The results obtained from theoretical considerations, such as finite element simulations and analytical calculations, are validated through large-scale component tests. Additionally, experimental observations are used to calibrate the calculation models and modify the input parameters of the design concept. Within the large-scale component tests, a brittle failure is artificially induced in a bearing component. For this purpose, an artificially generated initial defect is introduced at the previously defined hotspot into the specimen using spark erosion. Then, a dynamic load is applied until the crack initiation process occurs to achieve realistic conditions in the form of a sharp notch similar to a fatigue crack. This initiation process continues until the crack length reaches a predetermined size. Afterward, the actual test begins, which requires cooling the specimen with liquid nitrogen until a temperature is reached where brittle fracture failure is expected. In the next step, the component is subjected to a quasi-static tensile test until failure occurs in the form of a brittle failure. The proposed paper will present the latest research findings, including the results of the conducted component tests and the derived definition of the initial crack size in bridge bearings.

Keywords: bridge bearings, brittle fracture, fatigue, initial crack size, large-scale tests

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Authors: Getnet Ayele Kebede, Tasew Tadiwose Zewdie

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In this study, a novel design of a wind-powered water pump for small-scale irrigation application by using the Savonius wind turbine of Vertical Axis Wind Turbine(VAWT) with 2 blades has been used. Calculations have been made on the energy available in the wind and an energy analysis was then performed to see what wind speed is required for the system to work. The rotor has a radius of 0.53 m giving a swept area of 1.27 m2 and this gives a solidity of 0.5, which is the minimum theoretical optimum value for wind turbine. The average extracted torque of the wind turbine is 0.922 Nm and Tip speed ratio is one this shows, the tips are moving at equal the speed of the wind and by 2 rotating of blades. This is sufficient to sustain the desired flow rate of (0.3125X 10-3) m3 per second with a maximum head of 10m and the expected working is 4hr/day, and also overcome other barriers to motion such as friction. Based on this novel design, we are able to achieve a cost-effective solution and simultaneously effective in self-starting under low wind speeds and it can catch the wind from all directions.

Keywords: Savonius wind turbine, Small-scale irrigation, Vertical Axis Wind Turbine, Water pump

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Authors: Salem El-Tohami Ashoor

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Here we show that the reduction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, this was optimization by using density functional theory (DFT) and then was comparing with experimental data, also other possibility of Cp interacted with ion metal were tested like η1 ,η2 ,η3 and η4 under optimization system. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP ( Becke)( Lee–Yang–Parr ) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) was found to be thermally more stable than others of chromium cyclopentadienyl. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium(III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO

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Authors: Chen Niu, Xuesong Zhang, Dejiang Shang, Yongwei Liu

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Fishes can secrete high molecular weight fluid on their body skin to enable their rapid movement in the water. In this work, we employ a hybrid method that combines Computational Fluid Dynamics (CFD) and Finite Element Method (FEM) to investigate the effects of different mucus viscosities and injection velocities on fluctuation pressure in the boundary layer and flow-induced structural vibration noise of a flat plate model. To accurately capture the transient flow distribution on the plate surface, we use Large Eddy Simulation (LES) while the mucus inlet is positioned at a sufficient distance from the model to ensure effective coverage. Mucus injection is modeled using the Volume of Fluid (VOF) method for multiphase flow calculations. The results demonstrate that mucus control of pulsating pressure effectively reduces flow-induced structural vibration noise, providing an approach for controlling flow-induced noise in underwater vehicles.

Keywords: mucus, flow control, noise control, flow-induced noise

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Authors: Wisam K. Hussam, Ali Alfeeli, Gergory J. Sheard

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Solar panels that use photovoltaic (PV) cells are popular for converting solar radiation into electricity. One of the major problems impacting the performance of PV panels is the overheating caused by excessive solar radiation and high ambient temperatures, which degrades the efficiency of the PV panels remarkably. To overcome this issue, an aluminum heat sink was used to dissipate unwanted heat from PV cells. The dimensions of the heat sink were determined considering the optimal fin spacing that fulfils hot climatic conditions. In this study, the effects of cooling on the efficiency and power output of a PV panel were studied experimentally. Two PV modules were used: one without and one with a heat sink. The experiments ran for 11 hours from 6:00 a.m. to 5:30 p.m. where temperature readings in the rear and front of both PV modules were recorded at an interval of 15 minutes using sensors and an Arduino microprocessor. Results are recorded for both panels simultaneously for analysis, temperate comparison, and for power and efficiency calculations. A maximum increase in the solar to electrical conversion efficiency of 35% and almost 55% in the power output were achieved with the use of a heat sink, while temperatures at the front and back of the panel were reduced by 9% and 11%, respectively.

Keywords: photovoltaic cell, natural convection, heat sink, efficiency

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Authors: Mohammad Moonesun, Ehsan Asadi Asrami, Julia Bodnarchuk

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In the case of Solar Autonomous Underwater Vehicle, which uses photovoltaic panels to provide its required power, due to limitation of energy, accurate estimation of resistance and energy has major sensitivity. In this work, hydrodynamic calculations by numerical method for a solar autonomous underwater vehicle equipped by two 50 W photovoltaic panels has been studied. To evaluate the required power and energy, hull hydrodynamic resistance in several velocities should be taken into account. To do this assessment, the ANSYS FLUENT 18 applied as Computational Fluid Dynamics (CFD) tool that solves Reynolds Average Navier Stokes (RANS) equations around AUV hull, and K-ω SST is used as turbulence model. To validate of solution method and modeling approach, the model of Myring submarine that it’s experimental data was available, is simulated. There is good agreement between numerical and experimental results. Also, these results showed that the K-ω SST Turbulence model is an ideal method to simulate the AUV motion in low velocities.

Keywords: underwater vehicle, hydrodynamic resistance, numerical modelling, CFD, RANS

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Authors: Najiya Omar, Hamed Aly, Timothy Little

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The optimal size of a photovoltaic (PV) array is considered a critical factor in designing an efficient PV system due to the dependence of the PV cell performance on temperature. A high temperature can lead to voltage losses of solar panels, whereas a low temperature can cause voltage overproduction. There are two possible scenarios of the inverter’s operation in which they are associated with the erroneous calculations of the number of PV panels: 1) If the number of the panels is scant and the temperature is high, the minimum voltage required to operate the inverter will not be reached. As a result, the inverter will shut down. 2) Comparably, if the number of panels is excessive and the temperature is low, the produced voltage will be more than the maximum limit of the inverter which can cause the inverter to get disconnected or even damaged. This article aims to assess theoretical and practical methodologies to calculate size and determine the topology of a PV array. The results are validated by applying an experimental evaluation for a 100 kW Grid-connected PV system for a location in Halifax, Nova Scotia and achieving a satisfactory system performance compared to the previous work done.

Keywords: sizing PV panels, theoretical and practical methodologies, topology of PV array, grid-connected PV

Procedia PDF Downloads 365

Authors: Utkan Caliskan

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Two types of numerical codes based on finite volume method are developed in order to solve compressible Euler equations to simulate the flow through forward facing step channel. Both algorithms have AUSM+- up (Advection Upstream Splitting Method) scheme for flux splitting and two-stage Runge-Kutta scheme for time stepping. In this study, the flux calculations differentiate between the algorithm based on OpenFOAM mesh format which is called 'face-based' algorithm and the basic algorithm which is called 'element-based' algorithm. The face-based algorithm avoids redundant flux computations and also is more flexible with hybrid grids. Moreover, some of OpenFOAM’s preprocessing utilities can be used on the mesh. Parallelization of the face based algorithm for which atomic operations are needed due to the shared memory model, is also presented. For several mesh sizes, 2.13x speed up is obtained with face-based approach over the element-based approach.

Keywords: cell centered finite volume method, compressible Euler equations, OpenFOAM mesh format, OpenMP

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Authors: Csilla Dudás, Éva Böszörményi, Bence Kutus, István Pálinkó, Pál Sipos

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In this study the behavior of alpha-D-isosaccharinate (2-hydroxymethyl-3-deoxy-D-erythro-pentonate, ISA−) in alkaline medium in the presence of calcium was studied. At first the Ca–ISA system was studied by Ca-ion selective electrode (Ca-ISE) in neutral medium at T = 25 °C and I = 1 M NaCl to determine the formation constant of the CaISA+ monocomplex, which was found to be logK = 1.01 ± 0.01 for the reaction of Ca2+ + ISA– = CaISA+. In alkaline medium pH potentiometric titrations were carried out to determine the composition and stability constant of the complex(es) formed. It was found that in these systems above pH = 12.5 the predominant species is the CaISAOH complex. Its formation constant was found to be logK = 3.04 ± 0.05 for the reaction of Ca2+ + ISA– + H2O = CaISAOH + H+ at T = 25 °C and I = 1 M NaCl. Solubility measurements resulted in data consistent with those of the potentiometric titrations. Temperature dependent NMR spectra showed that the slow exchange range between the complex and the free ligand is below 5 °C. It was also showed that ISA– acts as a multidentate ligand forming macrochelate Ca-complexes. The structure of the complexes was determined by using ab initio quantum chemical calculations.

Keywords: Ca-ISE potentiometry, calcium complexes, isosaccharinate ion, NMR spectroscopy, pH potentiometry

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Authors: Olusola Bamisile, Ferdinard Dika, Mustafa Dagbasi, Serkan Abbasoglu

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The aim of this study was to model an air conditioning system that brings about effective cooling and reduce fossil fuel consumption with solar energy as an alternative source of energy. The objective of the study is to design a system with high COP, low usage of electricity and to integrate solar energy into AC systems. A hybrid solar assisted air conditioning system is designed to produce 30kW cooling capacity and R744 (CO₂) is used as a refrigerant. The effect of discharge pressure on the performance of the system is studied. The subcool temperature, evaporating temperature (5°C) and suction gas return temperature (12°C) are kept constant for the four different discharge pressures considered. The cooling gas temperature is set at 25°C, and the discharge pressure includes 80, 85, 90 and 95 bars. Copeland Scroll software is used for the simulation. A pressure-enthalpy graph is also used to deduce each enthalpy point while numerical methods were used in making other calculations. From the result of the study, it is observed that a higher COP is achieved with the use of solar assisted systems. As much as 46% of electricity requirements will be save using solar input at compressor stage.

Keywords: air conditioning, solar energy, performance, energy saving

Procedia PDF Downloads 146

Authors: Y. Benmalem , A. Abbad, W. Benstaali, T. Lantri

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Density functional theory is used to investigate the.the structural, electronic, and magnetic properties of the cubic anti-perovskites InNNi3 and ZnNNi3. The structure of antiperovskite also called (perovskite-inverse) identical to the perovskite structure of the general formula ABX3, where A is a main group (III–V) element or a metallic element, B is carbon or nitrogen, and X is a transition metal, displays a wide range of interesting physical properties, such as giant magnetoresistance. Elastic and electronic properties were determined using generalized gradient approximation (GGA), and local spin density approximation (LSDA) approaches, ), as implemented in the Wien2k computer package. The results show that the two compounds are strong ductile and satisfy the Born-Huang criteria, so they are mechanically stable at normal conditions. Electronic properties show that the two compounds studied are metallic and non-magnetic. The studies of these compounds have confirmed the effectiveness of the two approximations and the ground-state properties are in good agreement with experimental data and theoretical results available.

Keywords: anti-perovskites, elastic anisotropy, electronic band structure, first-principles calculations

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Authors: A. Shafaghat, H. Khabbaz, S. Moravej, Ah. Shafaghat

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The bearing capacity of closely spaced shallow footings alters with their spacing and the shape of footing. In this study, the bearing capacity and settlement of two adjacent footings constructed on a sand layer are investigated. The effect of different footing shapes including square, circular, ring and strip on sandy soil is captured in the calculations. The investigations are carried out numerically using PLAXIS-3D software and analytically employing conventional settlement equations. For this purpose, foundations are modelled in the program with practical dimensions and various spacing ratios ranging from 1 to 5. The spacing ratio is defined as the centre-to-centre distance to the width of foundations (S/B). Overall, 24 models are analyzed; and the results are compared and discussed in detail. It can be concluded that the presence of adjacent foundation leads to the reduction in bearing capacity for round shape footings while it can increase the bearing capacity of rectangular footings in some specific distances.

Keywords: bearing capacity, finite element analysis, loose sand, settlement equations, shallow foundation

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Authors: O. J. G. Somsen, G. P. M. Wagemakers

Abstract:

Magnetic signature detection provides sensitive detection of metal objects, especially in the natural environment. Our group is developing a tabletop setup for magnetic signatures of various small and model objects. A particular issue is the separation of permanent and induced magnetization. While the latter depends only on the composition and shape of the object, the former also depends on the magnetization history. With common deperming techniques, a significant permanent signature may still remain, which confuses measurements of the induced component. We investigate a basic technique of separating the two. Measurements were done by moving the object along an aluminum rail while the three field components are recorded by a detector attached near the center. This is done first with the rail parallel to the Earth magnetic field and then with anti-parallel orientation. The reversal changes the sign of the induced- but not the permanent magnetization so that the two can be separated. Our preliminary results on a small iron block show excellent reproducibility. A considerable permanent magnetization was indeed present, resulting in a complex asymmetric signature. After separation, a much more symmetric induced signature was obtained that can be studied in detail and compared with theoretical calculations.

Keywords: magnetic signature, data analysis, magnetization, deperming techniques

Procedia PDF Downloads 451

Authors: N. Fusun Oyman Serteller

Abstract:

In this paper, the techniques to solve time dependent electromagnetic wave propagation equations based on the Finite Difference Method (FDM) are proposed by comparing the results with Finite Element Method (FEM) in 2D while discussing some special simulation examples.  Here, 2D dynamical wave equations for lossy media, even with a constant source, are discussed for establishing symbolic manipulation of wave propagation problems. The main objective of this contribution is to introduce a comparative study of two suitable numerical methods and to show that both methods can be applied effectively and efficiently to all types of wave propagation problems, both linear and nonlinear cases, by using symbolic computation. However, the results show that the FDM is more appropriate for solving the nonlinear cases in the symbolic solution. Furthermore, some specific complex domain examples of the comparison of electromagnetic waves equations are considered. Calculations are performed through Mathematica software by making some useful contribution to the programme and leveraging symbolic evaluations of FEM and FDM.

Keywords: finite difference method, finite element method, linear-nonlinear PDEs, symbolic computation, wave propagation equations

Procedia PDF Downloads 147

Authors: Nguyen Lan, Le Tan Kien, Nguyen Pham Gia Bao

Abstract:

The cable-stayed bridge belongs to the combined system, in which the cables is a major strutual element. Cable-stayed bridges with large spans are often arranged with structural health monitoring systems to collect data for bridge health diagnosis. Cables tension monitoring is a structural monitoring content. It is common to measure cable tension by a direct force sensor or cable vibration accelerometer sensor, thereby inferring the indirect cable tension through the cable vibration frequency. To translate cable-stayed vibration acceleration data to real-time tension requires some necessary calculations and programming. This paper introduces the algorithm, labview program that converts cable-stayed vibration acceleration data to real-time tension. The research results are applied to the monitoring system of Tran Thi Ly cable-stayed bridge and Song Hieu cable-stayed bridge in Vietnam.

Keywords: cable-stayed bridge, cable fore, structural heath monitoring (SHM), fast fourie transformed (FFT), real time, vibrations

Procedia PDF Downloads 71

Authors: A. Miloud

Abstract:

In this work, the results of numerical simulations of the turbulent flow with 3D heat transfer are presented for the case of two U-shaped channels and rotating rectangular section. The purpose of this investigation was to study the effect of the corrugated walls of the heated portion on the improved cooling, in particular the influence of the wavelength. The calculations were performed for a Reynolds number ranging from 10 000 to 100 000, two values of the number of rotation (Ro = 0.0 to 0.14) and a ratio of the restricted density to 0.13. In these simulations, ANSYS FLUENT code was used to solve the Reynolds equations expressing relations between different fields averaged variables over time. Model performance k-omega SST model and RSM are evaluated through a comparison of the numerical results for each model and the experimental and numerical data available. In this work, detailed average temperature predictions, the scope of the secondary flow and distributions of local Nusselt are presented. It turns out that the corrugated configuration further urges the heat exchange provided to reduce the velocity of the coolant inside the channel.

Keywords: cooling blades, corrugated walls, model k-omega SST and RSM, fluent code, rotation effect

Procedia PDF Downloads 251

Authors: Ömer Ateş, Atilla Savaş

Abstract:

Reducers and transmission systems are power and speed transfer tools that have been used for many years in the technology world and in all engineering fields. Since today's transmissions have a threaded tap system, torque interruption occurs during tap change. besides, breakdown and manufacturing costs are high. Another problem is the limited torque and rpm setting in stepped gearbox systems. In this study, a new type of transmission system is designed to solve these problems. This new type of transmission system has been called the Continuously Variable Pulley. The most important feature of the transmission system in the study is that it can be adjusted Revolutions Per Minute-wise and torque-wise at the millimeter (precision) adjustment level. In order to make adjustments at this level, an adjustable pulley with the help of hydraulic piston is designed. The efficiency of the designed transmission system is 97 percent, the efficiency of today's transmissions is in the range of 85-95 percent. examined at the analysis and calculations, it is seen that the designed system gives realistic results and can be compared with today's transmissions and reducers. Therefore, this new type of transmission has been proven to be usable in production areas and the world of technology.

Keywords: gearbox, reducer, transmission, torque

Procedia PDF Downloads 121