Search results for: ab-initio calculations
420 Theoretical Study of Structural and Electronic Properties of Matlockite CaFX (X = I and Br) Compounds
Authors: Meriem Harmel, Houari Khachai
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The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.Keywords: DFT, matlockite, structural properties, electronic structure
Procedia PDF Downloads 309419 Environmental Modeling of Storm Water Channels
Authors: L. Grinis
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Turbulent flow in complex geometries receives considerable attention due to its importance in many engineering applications. It has been the subject of interest for many researchers. Some of these interests include the design of storm water channels. The design of these channels requires testing through physical models. The main practical limitation of physical models is the so called “scale effect”, that is, the fact that in many cases only primary physical mechanisms can be correctly represented, while secondary mechanisms are often distorted. These observations form the basis of our study, which centered on problems associated with the design of storm water channels near the Dead Sea, in Israel. To help reach a final design decision we used different physical models. Our research showed good coincidence with the results of laboratory tests and theoretical calculations, and allowed us to study different effects of fluid flow in an open channel. We determined that problems of this nature cannot be solved only by means of theoretical calculation and computer simulation. This study demonstrates the use of physical models to help resolve very complicated problems of fluid flow through baffles and similar structures. The study applies these models and observations to different construction and multiphase water flows, among them, those that include sand and stone particles, a significant attempt to bring to the testing laboratory a closer association with reality.Keywords: open channel, physical modeling, baffles, turbulent flow
Procedia PDF Downloads 279418 Vibration of a Beam on an Elastic Foundation Using the Variational Iteration Method
Authors: Desmond Adair, Kairat Ismailov, Martin Jaeger
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Modelling of Timoshenko beams on elastic foundations has been widely used in the analysis of buildings, geotechnical problems, and, railway and aerospace structures. For the elastic foundation, the most widely used models are one-parameter mechanical models or two-parameter models to include continuity and cohesion of typical foundations, with the two-parameter usually considered the better of the two. Knowledge of free vibration characteristics of beams on an elastic foundation is considered necessary for optimal design solutions in many engineering applications, and in this work, the efficient and accurate variational iteration method is developed and used to calculate natural frequencies of a Timoshenko beam on a two-parameter foundation. The variational iteration method is a technique capable of dealing with some linear and non-linear problems in an easy and efficient way. The calculations are compared with those using a finite-element method and other analytical solutions, and it is shown that the results are accurate and are obtained efficiently. It is found that the effect of the presence of the two-parameter foundation is to increase the beam’s natural frequencies and this is thought to be because of the shear-layer stiffness, which has an effect on the elastic stiffness. By setting the two-parameter model’s stiffness parameter to zero, it is possible to obtain a one-parameter foundation model, and so, comparison between the two foundation models is also made.Keywords: Timoshenko beam, variational iteration method, two-parameter elastic foundation model
Procedia PDF Downloads 186417 A Comprehensive Review of Adaptive Building Energy Management Systems Based on Users’ Feedback
Authors: P. Nafisi Poor, P. Javid
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Over the past few years, the idea of adaptive buildings and specifically, adaptive building energy management systems (ABEMS) has become popular. Well-performed management in terms of energy is to create a balance between energy consumption and user comfort; therefore, in new energy management models, efficient energy consumption is not the sole factor and the user's comfortability is also considered in the calculations. One of the main ways of measuring this factor is by analyzing user feedback on the conditions to understand whether they are satisfied with conditions or not. This paper provides a comprehensive review of recent approaches towards energy management systems based on users' feedbacks and subsequently performs a comparison between them premised upon their efficiency and accuracy to understand which approaches were more accurate and which ones resulted in a more efficient way of minimizing energy consumption while maintaining users' comfortability. It was concluded that the highest accuracy rate among the presented works was 95% accuracy in determining satisfaction and up to 51.08% energy savings can be achieved without disturbing user’s comfort. Considering the growing interest in designing and developing adaptive buildings, these studies can support diverse inquiries about this subject and can be used as a resource to support studies and researches towards efficient energy consumption while maintaining the comfortability of users.Keywords: adaptive buildings, energy efficiency, intelligent buildings, user comfortability
Procedia PDF Downloads 129416 A Simple Computational Method for the Gravitational and Seismic Soil-Structure-Interaction between New and Existent Buildings Sites
Authors: Nicolae Daniel Stoica, Ion Mierlus Mazilu
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This work is one of numerical research and aims to address the issue of the design of new buildings in a 3D location of existing buildings. In today's continuous development and congestion of urban centers is a big question about the influence of the new buildings on an already existent vicinity site. Thus, in this study, we tried to focus on how existent buildings may be affected by any newly constructed buildings and in how far this influence is really decreased. The problem of modeling the influence of interaction between buildings is not simple in any area in the world, and neither in Romania. Unfortunately, most often the designers not done calculations that can determine how close to reality these 3D influences nor the simplified method and the more superior methods. In the most literature making a "shield" (the pilots or molded walls) is absolutely sufficient to stop the influence between the buildings, and so often the soil under the structure is ignored in the calculation models. The main causes for which the soil is neglected in the analysis are related to the complexity modeling of interaction between soil and structure. In this paper, based on a new simple but efficient methodology we tried to determine for a lot of study cases the influence, in terms of assessing the interaction land structure on the behavior of structures that influence a new building on an existing one. The study covers additional subsidence that may occur during the execution of new works and after its completion. It also highlighted the efforts diagrams and deflections in the soil for both the original case and the final stage. This is necessary to see to what extent the expected impact of the new building on existing areas.Keywords: soil, structure, interaction, piles, earthquakes
Procedia PDF Downloads 286415 Effective Validation Model and Use of Mobile-Health Apps for Elderly People
Authors: Leonardo Ramirez Lopez, Edward Guillen Pinto, Carlos Ramos Linares
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The controversy brought about by the increasing use of mHealth apps and their effectiveness for disease prevention and diagnosis calls for immediate control. Although a critical topic in research areas such as medicine, engineering, economics, among others, this issue lacks reliable implementation models. However, projects such as Open Web Application Security Project (OWASP) and various studies have helped to create useful and reliable apps. This research is conducted under a quality model to optimize two mHealth apps for older adults. Results analysis on the use of two physical activity monitoring apps - AcTiv (physical activity) and SMCa (energy expenditure) - is positive and ideal. Through a theoretical and practical analysis, precision calculations and personal information control of older adults for disease prevention and diagnosis were performed. Finally, apps are validated by a physician and, as a result, they may be used as health monitoring tools in physical performance centers or any other physical activity. The results obtained provide an effective validation model for this type of mobile apps, which, in turn, may be applied by other software developers that along with medical staff would offer digital healthcare tools for elderly people.Keywords: model, validation, effective, healthcare, elderly people, mobile app
Procedia PDF Downloads 212414 Computational Studies of the Reactivity Descriptors and the Optoelectronic Properties on the Efficiency Free-Base- and Zn-Porphyrin-Sensitized Solar Cells
Authors: Soraya Abtouche, Zeyneb Ghoualem, Syrine Daoudi, Lina Ouldmohamed, Xavier Assfeld
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This work reports density functional theory calculations of the optimized geometries, molecular reactivity, energy gap,and thermodynamic properties of the free base (H2P) and their Zn (II) metallated (ZnP), bearing one, two, or three carboxylic acid groups using the hybrid functional B3LYP, Cam-B3lYP, wb97xd with 6-31G(d,p) basis sets. When donating groups are attached to the molecular dye, the bond lengths are slightly decreased, which is important for the easy transfer of an electron from donating to the accepting group. For all dyes, the highest occupied molecular orbital/lowest occupied molecular orbital analysis results in positive outcomes upon electron injection to the semiconductor and subsequent dye regeneration by the electrolyte. The ionization potential increases with increasing conjugation; therefore, the compound dye attached to one carboxylic acid group has the highest ionization potential. The results show higher efficiencies of those sensitized with ZnP. These results have been explained, taking into account the electronic character of the metal ion, which acts as a mediator in the injection step, and, on the other hand, considering the number of anchoring groups to which it binds to the surface of TiO2.Keywords: DSSC, porphyrin, TD-DFT, electronic properties, donor-acceptor groups
Procedia PDF Downloads 68413 Field Production Data Collection, Analysis and Reporting Using Automated System
Authors: Amir AlAmeeri, Mohamed Ibrahim
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Various data points are constantly being measured in the production system, and due to the nature of the wells, these data points, such as pressure, temperature, water cut, etc.., fluctuations are constant, which requires high frequency monitoring and collection. It is a very difficult task to analyze these parameters manually using spreadsheets and email. An automated system greatly enhances efficiency, reduce errors, the need for constant emails which take up disk space, and frees up time for the operator to perform other critical tasks. Various production data is being recorded in an oil field, and this huge volume of data can be seen as irrelevant to some, especially when viewed on its own with no context. In order to fully utilize all this information, it needs to be properly collected, verified and stored in one common place and analyzed for surveillance and monitoring purposes. This paper describes how data is recorded by different parties and departments in the field, and verified numerous times as it is being loaded into a repository. Once it is loaded, a final check is done before being entered into a production monitoring system. Once all this is collected, various calculations are performed to report allocated production. Calculated production data is used to report field production automatically. It is also used to monitor well and surface facility performance. Engineers can use this for their studies and analyses to ensure field is performing as it should be, predict and forecast production, and monitor any changes in wells that could affect field performance.Keywords: automation, oil production, Cheleken, exploration and production (E&P), Caspian Sea, allocation, forecast
Procedia PDF Downloads 148412 Settlement Analysis of Axially Loaded Bored Piles: A Case History
Authors: M. Mert, M. T. Ozkan
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Pile load tests should be applied to check the bearing capacity calculations and to determine the settlement of the pile corresponding to test load. Strain gauges can be installed into pile in order to determine the shaft resistance of the piles for every soil layer respectively. Detailed results can be obtained by means of strain gauges placed at certain levels into test piles. In the scope of this study, pile load test data obtained from two different projects are examined. Instrumented static pile load tests were applied on totally 7 test bored piles of different diameters (80 cm, 150 cm, and 200 cm) and different lengths (between 30-76 m) in two different project site. Settlement analysis of test piles is done by using some of load transfer methods and finite element method. Plaxis 3D which is a three-dimensional finite element program is also used for settlement analysis of the test piles. In this study, firstly bearing capacity of test piles are determined and compared with strain gauge data which is required for settlement analysis. Then, settlement values of the test piles are estimated by using load transfer methods developed in recent years and finite element method. The aim of this study is to show similarities and differences between the results obtained from settlement analysis methods and instrumented pile load tests.Keywords: failure, finite element method, monitoring and instrumentation, pile, settlement
Procedia PDF Downloads 161411 A Quantum Leap: Developing Quantum Semi-Structured Complex Numbers to Solve the “Division by Zero” Problem
Authors: Peter Jean-Paul, Shanaz Wahid
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The problem of division by zero can be stated as: “what is the value of 0 x 1/0?” This expression has been considered undefined by mathematicians because it can have two equally valid solutions either 0 or 1. Recently semi-structured complex number set was invented to solve “division by zero”. However, whilst the number set had some merits it was considered to have a poor theoretical foundation and did not provide a quality solution to “division by zero”. Moreover, the set lacked consistency in simple algebraic calculations producing contradictory results when dividing by zero. To overcome these issues this research starts by treating the expression " 0 x 1/0" as a quantum mechanical system that produces two tangled results 0 and 1. Dirac Notation (a tool from quantum mechanics) was then used to redefine the unstructured unit p in semi-structured complex numbers so that p represents the superposition of two results (0 and 1) and collapses into a single value when used in algebraic expressions. In the process, this paper describes a new number set called Quantum Semi-structured Complex Numbers that provides a valid solution to the problem of “division by zero”. This research shows that this new set (1) forms a “Field”, (2) can produce consistent results when solving division by zero problems, (3) can be used to accurately describe systems whose mathematical descriptions involve division by zero. This research served to provide a firm foundation for Quantum Semi-structured Complex Numbers and support their practical use.Keywords: division by zero, semi-structured complex numbers, quantum mechanics, Hilbert space, Euclidean space
Procedia PDF Downloads 147410 Design of an Eddy Current Brake System for the Use of Roller Coasters Based on a Human Factors Engineering Approach
Authors: Adam L. Yanagihara, Yong Seok Park
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The goal of this paper is to converge upon a design of a brake system that could be used for a roller coaster found at an amusement park. It was necessary to find what could be deemed as a “comfortable” deceleration so that passengers do not feel as if they are suddenly jerked and pressed against the restraining harnesses. A human factors engineering approach was taken in order to determine this deceleration. Using a previous study that tested the deceleration of transit vehicles, it was found that a -0.45 G deceleration would be used as a design requirement to build this system around. An adjustable linear eddy current brake using permanent magnets would be the ideal system to use in order to meet this design requirement. Anthropometric data were then used to determine a realistic weight and length of the roller coaster that the brake was being designed for. The weight and length data were then factored into magnetic brake force equations. These equations were used to determine how the brake system and the brake run layout would be designed. A final design for the brake was determined and it was found that a total of 12 brakes would be needed with a maximum braking distance of 53.6 m in order to stop a roller coaster travelling at its top speed and loaded to maximum capacity. This design is derived from theoretical calculations, but is within the realm of feasibility.Keywords: eddy current brake, engineering design, design synthesis, human factors engineering
Procedia PDF Downloads 118409 A Fuzzy Inference Tool for Assessing Cancer Risk from Radiation Exposure
Authors: Bouharati Lokman, Bouharati Imen, Bouharati Khaoula, Bouharati Oussama, Bouharati Saddek
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Ionizing radiation exposure is an established cancer risk factor. Compared to other common environmental carcinogens, it is relatively easy to determine organ-specific radiation dose and, as a result, radiation dose-response relationships tend to be highly quantified. Nevertheless, there can be considerable uncertainty about questions of radiation-related cancer risk as they apply to risk protection and public policy, and the interpretations of interested parties can differ from one person to another. Examples of tools used in the analysis of the risk of developing cancer due to radiation are characterized by uncertainty. These uncertainties are related to the history of exposure and different assumptions involved in the calculation. We believe that the results of statistical calculations are characterized by uncertainty and imprecision. Having regard to the physiological variation from one person to another. In this study, we develop a tool based on fuzzy logic inference. As fuzzy logic deals with imprecise and uncertain, its application in this area is adequate. We propose a fuzzy system with three input variables (age, sex and body attainable cancer). The output variable expresses the risk of infringement rate of each organ. A base rule is established from recorded actual data. After successful simulation, this will instantly predict the risk of infringement rate of each body following chronic exposure to 0.1 Gy.Keywords: radiation exposure, cancer, modeling, fuzzy logic
Procedia PDF Downloads 301408 Testing a Flexible Manufacturing System Facility Production Capacity through Discrete Event Simulation: Automotive Case Study
Authors: Justyna Rybicka, Ashutosh Tiwari, Shane Enticott
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In the age of automation and computation aiding manufacturing, it is clear that manufacturing systems have become more complex than ever before. Although technological advances provide the capability to gain more value with fewer resources, sometimes utilisation of the manufacturing capabilities available to organisations is difficult to achieve. Flexible manufacturing systems (FMS) provide a unique capability to manufacturing organisations where there is a need for product range diversification by providing line efficiency through production flexibility. This is very valuable in trend driven production set-ups or niche volume production requirements. Although FMS provides flexible and efficient facilities, its optimal set-up is key in achieving production performance. As many variables are interlinked due to the flexibility provided by the FMS, analytical calculations are not always sufficient to predict the FMS’ performance. Simulation modelling is capable of capturing the complexity and constraints associated with FMS. This paper demonstrates how discrete event simulation (DES) can address complexity in an FMS to optimise the production line performance. A case study of an automotive FMS is presented. The DES model demonstrates different configuration options depending on prioritising objectives: utilisation and throughput. Additionally, this paper provides insight into understanding the impact of system set-up constraints on the FMS performance and demonstrates the exploration into the optimal production set-up.Keywords: discrete event simulation, flexible manufacturing system, capacity performance, automotive
Procedia PDF Downloads 321407 The Importance of Industrial Work Experience, Career Information, and Work Motivation to Increase Work Readiness
Authors: Nyaris Pambudiyatno, Asto Buditjahjanto, Eppy Yundra, Arie Wardhono, Eko Hariadi
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Vocational education is part of the national education system that is prepared to produce graduates who have the skills and knowledge according to the needs and requirements required by the job. Vocational Education is a secondary education that prepares students to work in a particular field. The purpose of this study was to analyze and find out the effect of industrial work practice experience and career information on work readiness through work motivation. This type of research is causal research with a quantitative approach. The population in this study was 359 cadets of Aviation Polytechnic Surabaya. While the number of samples calculates using slovin calculations obtained by 189 cadets of Surabaya Aviation Polytechnic. The type of data used is quantitative data with the primary data source. Data collection techniques are by distributing questionnaires. Analysis of this study is with Lisrel. The findings prove that: (1) Industrial Work Experience experience has a positive and significant effect on work motivation; (2) Industrial Work Experience has a positive and significant impact on work readiness; (3) Career information has a positive and significant effect on job readiness; (4) Career information has a positive and significant impact on job readiness; Dan (5) Work motivation has a positive and significant effect on work readiness.Keywords: career information, increase work readiness, industrial work experience, work motivation
Procedia PDF Downloads 130406 Decay Analysis of 118Xe* Nucleus Formed in 28Si Induced Reaction
Authors: Manoj K. Sharma, Neha Grover
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Dynamical cluster decay model (DCM) is applied to study the decay mechanism of 118Xe* nucleus in reference to recent data on 28Si + 90Zr → 118Xe* reaction, as an extension of our previous work on the dynamics of 112Xe* nucleus. It is relevant to mention here that DCM is based on collective clusterization approach, where emission probability of different decay paths such as evaporation residue (ER), intermediate mass fragments (IMF) and fission etc. is worked out on parallel scale. Calculations have been done over a wide range of center of mass energies with Ec.m. = 65 - 92 MeV. The evaporation residue (ER) cross-sections of 118Xe* compound nucleus are fitted in reference to available data, using spherical and quadrupole (β2) deformed choice of decaying fragments within the optimum orientations approach. It may be noted that our calculated cross-sections find decent agreement with experimental data and hence provide an opportunity to analyze the exclusive role of deformations in view of fragmentation behavior of 118Xe* nucleus. The possible contribution of IMF fragments is worked out and an extensive effort is being made to analyze the role of excitation energy, angular momentum, diffuseness parameter and level density parameter to have better understanding of the decay patterns governed in the dynamics of 28Si + 90Zr → 118Xe* reaction.Keywords: cross-sections, deformations, fragmentation, angular momentum
Procedia PDF Downloads 306405 Geometrically Nonlinear Analysis of Initially Stressed Hybrid Laminated Composite Structures
Authors: Moumita Sit, Chaitali Ray
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The present article deals with the free vibration analysis of hybrid laminated composite structures with initial stresses developed in the laminates. Generally initial stresses may be developed in the laminates by temperature and moisture effect. In this study, an eight noded isoparametric plate bending element has been used for the finite element analysis of composite plates. A numerical model has been developed to assess the geometric nonlinear response of composite plates based on higher order shear deformation theory (HSDT) considering the Green–Lagrange type nonlinearity. A computer code based on finite element method (FEM) has also been developed in MATLAB to perform the numerical calculations. To validate the accuracy of the proposed numerical model, the results obtained from the present study are compared with those available in published literature. Effects of the side to thickness ratio, different boundary conditions and initial stresses on the natural frequency of composite plates have been studied. The free vibration analysis of a hollow stiffened hybrid laminated panel has also been carried out considering initial stresses and presented as case study.Keywords: geometric nonlinearity, higher order shear deformation theory (HSDT), hybrid composite laminate, the initial stress
Procedia PDF Downloads 142404 Enhancing Aerodynamic Performance of Savonius Vertical Axis Turbine Used with Triboelectric Generator
Authors: Bhavesh Dadhich, Fenil Bamnoliya, Akshita Swaminathan
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This project aims to design a system to generate energy from flowing wind due to the motion of a vehicle on the road or from the flow of wind in compact areas to utilize the wasteful energy into a useful one. It is envisaged through a design and aerodynamic performance improvement of a Savonius vertical axis wind turbine rotor and used in an integrated system with a Triboelectric Nanogenerator (TENG) that can generate a good amount of electrical energy. Aerodynamic calculations are performed numerically using Computational Fluid Dynamics software, and TENG's performance is evaluated analytically. The Turbine's coefficient of power is validated with published results for an inlet velocity of 7 m/s with a Tip Speed Ratio of 0.75 and found to reasonably agree with that of experiment results. The baseline design is modified with a new blade arc angle and rotor position angle based on the recommended parameter ranges suggested by previous researchers. Simulations have been performed for different T.S.R. values ranging from 0.25 to 1.5 with an interval of 0.25 with two applicable free stream velocities of 5 m/s and 7m/s. Finally, the newly designed VAWT CFD performance results are used as input for the analytical performance prediction of the triboelectric nanogenerator. The results show that this approach could be feasible and useful for small power source applications.Keywords: savonius turbine, power, overlap ratio, tip speed ratio, TENG
Procedia PDF Downloads 113403 Modified Single-Folded Potentials for the Alpha-²⁴Mg and Alpha-²⁸Si Elastic Scattering
Authors: M. N. A. Abdullah, Pritha Roy, R. R. Shil, D. R. Sarker
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Alpha-nucleus interaction is obscured because it produces enhanced cross-sections at large scattering angles known as anomaly in large angle scattering (ALAS). ALAS is prominent in the elastic scattering of α-particles as well as in non-elastic processes involving α-particles for incident energies up to 50 MeV and for targets of mass A ≤ 50. The Woods-Saxon type of optical model potential fails to describe the processes in a consistent manner. Folded potential is a good candidate and often used to construct the potential which is derived from the microscopic as well as semi-microscopic folding calculations. The present work reports the analyses of the elastic scattering of α-particles from ²⁴Mg and ²⁸Si at Eα=22-100 MeV and 14.4-120 MeV incident energies respectively in terms of the modified single-folded (MSF) potential. To derive the MSF potential, we take the view that the nucleons in the target nuclei ²⁴Mg and ²⁸Si are primarily in α-like clusters and the rest of the time in unclustered nucleonic configuration. The MSF potential, found in this study, does not need any renormalization over the whole range of incident α energies, and the renormalization factor has been found to be exactly 1 for both the targets. The best-fit parameters yield 4Aα = 21 and AN = 3 for α-²⁴Mg potential, and 4Aα = 26 and AN = 2 for α-²⁸Si potential in time-average pictures. The root-mean-square radii of both ²⁴Mg and ²⁸Si are also deduced, and the results obtained from this work agree well with the outcomes of other studies.Keywords: elastic scattering, optical model, folded potential, renormalization
Procedia PDF Downloads 218402 Solar Calculations of Modified Arch (Semi-Spherical) Type Greenhouse System for Bayburt City
Authors: Uğur Çakir, Erol Şahin, Kemal Çomakli, Ayşegül Çokgez Kuş
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Solar energy is thought as main source of all energy sources on the world and it can be used in many applications like agricultural areas, heating cooling or direct electricity production directly or indirectly. Greenhousing is the first one of the agricultural activities that solar energy can be used directly in. Greenhouses offer us suitable conditions which can be controlled easily for the growth of the plant and they are made by using a covering material that allows the sun light entering into the system. Covering material can be glass, fiber glass, plastic or another transparent element. This study investigates the solar energy usability rates and solar energy benefiting rates of a semi-spherical (modified arch) type greenhouse system according to different orientations and positions which exists under climatic conditions of Bayburt. In the concept of this study it is tried to determine the best direction and best sizes of a semi-spherical greenhouse to get best solar benefit from the sun. To achieve this aim a modeling study is made by using MATLAB. However this modeling study is running for some determined shapes and greenhouses it can be used for different shaped greenhouses or buildings. The basic parameters are determined as greenhouse azimuth angle, the rate of size of long edge to short and seasonal solar energy gaining of greenhouse.Keywords: greenhousing, solar energy, direct radiation, renewable energy
Procedia PDF Downloads 469401 Investigation of Physical Properties of W-Doped CeO₂ and Mo-Doped CeO₂: A Density Functional Theory Study
Authors: Aicha Bouhlala, Sabah Chettibi
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A systematic investigation on structural, electronic, and magnetic properties of Ce₀.₇₅A₀.₂₅O₂ (A = W, Mo) is performed using first-principles calculations within the framework Full-Potential Linear Augmented Plane Wave (FP-LAPW) method based on the Density Functional Theory (DFT). The exchange-correlation potential has been treated using the generalized gradient approximation (WC-GGA) developed by Wu-Cohen. The host compound CeO2 was doped with transition metal atoms W and Mo in the doping concentration of 25% to replace the Ce atom. In structural properties, the equilibrium lattice constant is observed for the W-doped CeO₂ compound which exists within the value of 5.314 A° and the value of 5.317 A° for Mo-doped CeO2. The present results show that Ce₀.₇₅A₀.₂₅O₂ (A=W, Mo) systems exhibit semiconducting behavior in both spin channels. Although undoped CeO₂ is a non-magnetic semiconductor. The band structure of these doped compounds was plotted and they exhibit direct band gap at the Fermi level (EF) in the majority and minority spin channels. In the magnetic properties, the doped atoms W and Mo play a vital role in increasing the magnetic moments of the supercell and the values of the total magnetic moment are found to be 1.998 μB for Ce₀.₇₅W₀.₂₅O₂ and to be 2.002 μB for Ce₀.₇₅Mo₀.₂₅O₂ compounds. Calculated results indicate that the magneto-electronic properties of the Ce₁₋ₓAₓO₂(A= W, Mo) oxides supply a new way to the experimentalist for the potential applications in spintronics devices.Keywords: FP-LAPW, DFT, CeO₂, properties
Procedia PDF Downloads 205400 Fuel Oxidation Reactions: Pathways and Reactive Intermediates Characterization via Synchrotron Photoionization Mass Spectrometry
Authors: Giovanni Meloni
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Recent results are presented from experiments carried out at the Advanced Light Source (ALS) at the Chemical Dynamics Beamline of Lawrence Berkeley National Laboratory using multiplexed synchrotron photoionization mass spectrometry. The reaction mixture and a buffer gas (He) are introduced through individually calibrated mass flow controllers into a quartz slow flow reactor held at constant pressure and temperature. The gaseous mixture effuses through a 650 μm pinhole into a 1.5 mm skimmer, forming a molecular beam that enters a differentially pumped ionizing chamber. The molecular beam is orthogonally intersected by a tunable synchrotron radiation produced by the ALS in the 8-11 eV energy range. Resultant ions are accelerated, collimated, and focused into an orthogonal time-of-flight mass spectrometer. Reaction species are identified by their mass-to-charge ratios and photoionization (PI) spectra. Comparison of experimental PI spectra with literature and/or simulated curves is routinely done to assure the identity of a given species. With the aid of electronic structure calculations, potential energy surface scans are performed, and Franck-Condon spectral simulations are obtained. Examples of these experiments are discussed, ranging from new intermediates characterization to reaction mechanisms elucidation and biofuels oxidation pathways identification.Keywords: mass spectrometry, reaction intermediates, synchrotron photoionization, oxidation reactions
Procedia PDF Downloads 64399 The Effects of Oxygen Partial Pressure to the Anti-Corrosion Layer in the Liquid Metal Coolant: A Density Functional Theory Simulation
Authors: Rui Tu, Yakui Bai, Huailin Li
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The lead-bismuth eutectic (LBE) alloy is a promising candidate of coolant in the fast neutron reactors and accelerator-driven systems (ADS) because of its good properties, such as low melting point, high neutron yields and high thermal conductivity. Although the corrosion of the structure materials caused by the liquid metal (LM) coolant is a challenge to the safe operating of a lead-bismuth eutectic nuclear reactor. Thermodynamic theories, experiential formulas and experimental data can be used for explaining the maintenance of the protective oxide layers on stainless steels under satisfaction oxygen concentration, but the atomic scale insights of such anti-corrosion mechanisms are little known. In the present work, the first-principles calculations are carried out to study the effects of oxygen partial pressure on the formation energies of the liquid metal coolant relevant impurity defects in the anti-corrosion oxide films on the surfaces of the structure materials. These approaches reveal the microscope mechanisms of the corrosion of the structure materials, especially for the influences from the oxygen partial pressure. The results are helpful for identifying a crucial oxygen concentration for corrosion control, which can ensure the systems to be operated safely under certain temperatures.Keywords: oxygen partial pressure, liquid metal coolant, TDDFT, anti-corrosion layer, formation energy
Procedia PDF Downloads 121398 Application of Bim Model Data to Estimate ROI for Robots and Automation in Construction Projects
Authors: Brian Romansky
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There are many practical, commercially available robots and semi-autonomous systems that are currently available for use in a wide variety of construction tasks. Adoption of these technologies has the potential to reduce the time and cost to deliver a project, reduce variability and risk in delivery time, increase quality, and improve safety on the job site. These benefits come with a cost for equipment rental or contract fees, access to specialists to configure the system, and time needed for set-up and support of the machines while in use. Calculation of the net ROI (Return on Investment) requires detailed information about the geometry of the site, the volume of work to be done, the overall project schedule, as well as data on the capabilities and past performance of available robotic systems. Assembling the required data and comparing the ROI for several options is complex and tedious. Many project managers will only consider the use of a robot in targeted applications where the benefits are obvious, resulting in low levels of adoption of automation in the construction industry. This work demonstrates how data already resident in many BIM (Building Information Model) projects can be used to automate ROI estimation for a sample set of commercially available construction robots. Calculations account for set-up and operating time along with scheduling support tasks required while the automated technology is in use. Configuration parameters allow for prioritization of time, cost, or safety as the primary benefit of the technology. A path toward integration and use of automatic ROI calculation with a database of available robots in a BIM platform is described.Keywords: automation, BIM, robot, ROI.
Procedia PDF Downloads 78397 Design Optimization of Doubly Fed Induction Generator Performance by Differential Evolution
Authors: Mamidi Ramakrishna Rao
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Doubly-fed induction generators (DFIG) due to their advantages like speed variation and four-quadrant operation, find its application in wind turbines. DFIG besides supplying power to the grid has to support reactive power (kvar) under grid voltage variations, should contribute minimum fault current during faults, have high efficiency, minimum weight, adequate rotor protection during crow-bar-operation from +20% to -20% of rated speed. To achieve the optimum performance, a good electromagnetic design of DFIG is required. In this paper, a simple and heuristic global optimization – Differential Evolution has been used. Variables considered are lamination details such as slot dimensions, stack diameters, air gap length, and generator stator and rotor stack length. Two operating conditions have been considered - voltage and speed variations. Constraints included were reactive power supplied to the grid and limiting fault current and torque. The optimization has been executed separately for three objective functions - maximum efficiency, weight reduction, and grid fault stator currents. Subsequent calculations led to the conclusion that designs determined through differential evolution help in determining an optimum electrical design for each objective function.Keywords: design optimization, performance, DFIG, differential evolution
Procedia PDF Downloads 139396 Influence of Kinematic, Physical and Mechanical Structure Parameters on Aeroelastic GTU Shaft Vibrations in Magnetic Bearings
Authors: Evgeniia V. Mekhonoshina, Vladimir Ya. Modorskii, Vasilii Yu. Petrov
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At present, vibrations of rotors of gas transmittal unit evade sustainable forecasting. This paper describes elastic oscillation modes in resilient supports and rotor impellers modeled during computational experiments with regard to interference in the system of gas-dynamic flow and compressor rotor. Verification of aeroelastic approach was done on model problem of interaction between supersonic jet in shock tube with deformed plate. ANSYS 15.0 engineering analysis system was used as a modeling tool of numerical simulation in this paper. Finite volume method for gas dynamics and finite elements method for assessment of the strain stress state (SSS) components were used as research methods. Rotation speed and material’s elasticity modulus varied during calculations, and SSS components and gas-dynamic parameters in the dynamic system of gas-dynamic flow and compressor rotor were evaluated. The analysis of time dependence demonstrated that gas-dynamic parameters near the rotor blades oscillate at 200 Hz, and SSS parameters at the upper blade edge oscillate four times higher, i.e. with blade frequency. It has been detected that vibration amplitudes correction in the test points at magnetic bearings by aeroelasticity may correspond up to 50%, and about -π/4 for phases.Keywords: Centrifugal compressor, aeroelasticity, interdisciplinary calculation, oscillation phase displacement, vibration, nonstationarity
Procedia PDF Downloads 251395 Recombination Rate Coefficients for NIII and OIV Ions
Authors: Shahin A. Abdel-Naby, Asad T. Hassan
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Electron-ion recombination data are needed for plasma modeling. The recombination processes include radiative recombination (RR), dielectronic recombination (DR), and trielectronic recombination (TR). When a free electron is captured by an ion with simultaneous excitation of its core, a doubly-exited intermediate state may be formed. The doubly excited state relaxes either by electron emission (autoionization) or by radiative decay (photon emission). DR process takes place when the relaxation occurs to a bound state by photon emission. Reliable laboratory astrophysics data (theory and experiment) for DR rate coefficients are needed to determine the charge state distribution in photoionized sources such as X-ray binaries and active galactic nuclei. DR rate coefficients for NIII and OIV ions are calculated using state-of-the-art multi-configuration Breit-Pauli atomic structure AUTOSTRUCTURE collisional package within the generalized collisional-radiative framework. Level-resolved calculations for RR and DR rate coefficients from the ground and metastable initial states are produced in an intermediate coupling scheme associated with Δn = 0 (2→2) and Δn = 1 (2 →3) core-excitations. DR cross sections for these ions are convoluted with the experimental electron-cooler temperatures to produce DR rate coefficients. Good agreements are found between these rate coefficients and the experimental measurements performed at the CRYRING heavy-ion storage ring for both ions.Keywords: atomic data, atomic process, electron-ion collision, plasmas
Procedia PDF Downloads 141394 Hard Disk Failure Predictions in Supercomputing System Based on CNN-LSTM and Oversampling Technique
Authors: Yingkun Huang, Li Guo, Zekang Lan, Kai Tian
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Hard disk drives (HDD) failure of the exascale supercomputing system may lead to service interruption and invalidate previous calculations, and it will cause permanent data loss. Therefore, initiating corrective actions before hard drive failures materialize is critical to the continued operation of jobs. In this paper, a highly accurate analysis model based on CNN-LSTM and oversampling technique was proposed, which can correctly predict the necessity of a disk replacement even ten days in advance. Generally, the learning-based method performs poorly on a training dataset with long-tail distribution, especially fault prediction is a very classic situation as the scarcity of failure data. To overcome the puzzle, a new oversampling was employed to augment the data, and then, an improved CNN-LSTM with the shortcut was built to learn more effective features. The shortcut transmits the results of the previous layer of CNN and is used as the input of the LSTM model after weighted fusion with the output of the next layer. Finally, a detailed, empirical comparison of 6 prediction methods is presented and discussed on a public dataset for evaluation. The experiments indicate that the proposed method predicts disk failure with 0.91 Precision, 0.91 Recall, 0.91 F-measure, and 0.90 MCC for 10 days prediction horizon. Thus, the proposed algorithm is an efficient algorithm for predicting HDD failure in supercomputing.Keywords: HDD replacement, failure, CNN-LSTM, oversampling, prediction
Procedia PDF Downloads 70393 Polarization Effects in Cosmic-Ray Acceleration by Cyclotron Auto-Resonance
Authors: Yousef I. Salamin
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Theoretical investigations, analytical as well as numerical, have shown that electrons can be accelerated to GeV energies by the process of cyclotron auto-resonance acceleration (CARA). In CARA, the particle would be injected along the lines of a uniform magnetic field aligned parallel to the direction of propagation of a plane-wave radiation field. Unfortunately, an accelerator based on CARA would be prohibitively too long and too expensive to build and maintain. However, the process stands a better chance of success near the polar cap of a compact object (such as a neutron star, a black hole or a magnetar) or in an environment created in the wake of a binary neutron-star or blackhole merger. Dynamics of the nuclides ₁H¹, ₂He⁴, ₂₆Fe⁵⁶, and ₂₈Ni⁶², in such astrophysical conditions, have been investigated by single-particle calculations and many-particle simulations. The investigations show that these nuclides can reach ZeV energies (1 ZeV = 10²¹ eV) due to interaction with super-intense radiation of wavelengths = 1 and 10 m and = 50 pm and magnetic fields of strengths at the mega- and giga-tesla levels. Examples employing radiation intensities in the range 10³²-10⁴² W/m² have been used. Employing a two-parameter model for representing the radiation field, CARA is analytically generalized to include any state of polarization, and the basic working equations are derived rigorously and in closed analytic form.Keywords: compact objects, cosmic-ray acceleration, cyclotron auto-resonance, polarization effects, zevatron
Procedia PDF Downloads 115392 Performance Evaluation of a Prioritized, Limited Multi-Server Processor-Sharing System that Includes Servers with Various Capacities
Authors: Yoshiaki Shikata, Nobutane Hanayama
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We present a prioritized, limited multi-server processor sharing (PS) system where each server has various capacities, and N (≥2) priority classes are allowed in each PS server. In each prioritized, limited server, different service ratio is assigned to each class request, and the number of requests to be processed is limited to less than a certain number. Routing strategies of such prioritized, limited multi-server PS systems that take into account the capacity of each server are also presented, and a performance evaluation procedure for these strategies is discussed. Practical performance measures of these strategies, such as loss probability, mean waiting time, and mean sojourn time, are evaluated via simulation. In the PS server, at the arrival (or departure) of a request, the extension (shortening) of the remaining sojourn time of each request receiving service can be calculated by using the number of requests of each class and the priority ratio. Utilising a simulation program which executes these events and calculations, the performance of the proposed prioritized, limited multi-server PS rule can be analyzed. From the evaluation results, most suitable routing strategy for the loss or waiting system is clarified.Keywords: processor sharing, multi-server, various capacity, N-priority classes, routing strategy, loss probability, mean sojourn time, mean waiting time, simulation
Procedia PDF Downloads 324391 X-Ray Dynamical Diffraction Rocking Curves in Case of Third Order Nonlinear Renninger Effect
Authors: Minas Balyan
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In the third-order nonlinear Takagi’s equations for monochromatic waves and in the third-order nonlinear time-dependent dynamical diffraction equations for X-ray pulses for forbidden reflections the Fourier-coefficients of the linear and the third order nonlinear susceptibilities are zero. The dynamical diffraction in the nonlinear case is related to the presence in the nonlinear equations the terms proportional to the zero order and the second order nonzero Fourier coefficients of the third order nonlinear susceptibility. Thus in the third order nonlinear Bragg diffraction case a nonlinear analogue of the well known Renninger effect takes place. In this work, the ‘third order nonlinear Renninger effect’ is considered theoretically and numerically. If the reflection exactly is forbidden the diffracted wave’s amplitude is zero both in Laue and Bragg cases since the boundary conditions and dynamical diffraction equations are compatible with zero solution. But in real crystals due to some percent of dislocations and other localized defects, the atoms are displaced with respect to their equilibrium positions. Thus in real crystals susceptibilities of forbidden reflection are by some order small than for usual not forbidden reflections but are not exactly equal to zero. The numerical calculations for susceptibilities two order less than for not forbidden reflection show that in Bragg geometry case the nonlinear reflection curve’s behavior is the same as for not forbidden reflection, but for forbidden reflection the rocking curves’ width, center and boundaries are two order sensitive on the input intensity value. This gives an opportunity to investigate third order nonlinear X-ray dynamical diffraction for not intense beams – 0.001 in the units of critical intensity.Keywords: third order nonlinearity, Bragg diffraction, nonlinear Renninger effect, rocking curves
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