Search results for: theoretical calculations

Authors: Amit Kumar, Archana Gupta, Poonam Tandon, E. D. D’Silva

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Nonlinear optical (NLO) materials are the key materials for the fast processing of information and optical data storage applications. In the last decade, materials showing nonlinear optical properties have been the object of increasing attention by both experimental and computational points of view. Chalcones are one of the most important classes of cross conjugated NLO chromophores that are reported to exhibit good SHG efficiency, ultra fast optical nonlinearities and are easily crystallizable. The basic structure of chalcones is based on the π-conjugated system in which two aromatic rings are connected by a three-carbon α, β-unsaturated carbonyl system. Due to the overlap of π orbitals, delocalization of electronic charge distribution leads to a high mobility of the electron density. On a molecular scale, the extent of charge transfer across the NLO chromophore determines the level of SHG output. Hence, the functionalization of both ends of the π-bond system with appropriate electron donor and acceptor groups can enhance the asymmetric electronic distribution in either or both ground and excited states, leading to an increased optical nonlinearity. In this research, the experimental and theoretical study on the structure and vibrations of (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one (3Br4MSP) is presented. The FT-IR and FT-Raman spectra of the NLO material in the solid phase have been recorded. Density functional theory (DFT) calculations at B3LYP with 6-311++G(d,p) basis set were carried out to study the equilibrium geometry, vibrational wavenumbers, infrared absorbance and Raman scattering activities. The interpretation of vibrational features (normal mode assignments, for instance) has an invaluable aid from DFT calculations that provide a quantum-mechanical description of the electronic energies and forces involved. Perturbation theory allows one to obtain the vibrational normal modes by estimating the derivatives of the Kohn−Sham energy with respect to atomic displacements. The molecular hyperpolarizability β plays a chief role in the NLO properties, and a systematical study on β has been carried out. Furthermore, the first order hyperpolarizability (β) and the related properties such as dipole moment (μ) and polarizability (α) of the title molecule are evaluated by Finite Field (FF) approach. The electronic α and β of the studied molecule are 41.907×10-24 and 79.035×10-24 e.s.u. respectively, indicating that 3Br4MSP can be used as a good nonlinear optical material.

Keywords: DFT, MEP, NLO, vibrational spectra

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Authors: M. Saadi, S. E. H. Abaidia, M. Y. Mokeddem.

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We present the results of a systematic and comparative study of the bulk, the structural properties, and phonon calculations of aluminum alloys using several exchange–correlations functional theory (DFT) with different plane-wave basis pseudo potential techniques. Density functional theory implemented by the Vienna Ab Initio Simulation Package (VASP) technique is applied to calculate the bulk and the structural properties of several structures. The calculations were performed for within several exchange–correlation functional and pseudo pententials available in this code (local density approximation (LDA), generalized gradient approximation (GGA), projector augmented wave (PAW)). The lattice dynamic code “PHON” developed by Dario Alfè was used to calculate some thermodynamics properties and phonon dispersion relation frequency distribution of Aluminium alloys using the VASP LDA PAW and GGA PAW results. The bulk and structural properties of the calculated structures were compared to different experimental and calculated works.

Keywords: DFT, exchange-correlation functional, LDA, GGA, pseudopotential, PAW, VASP, PHON, phonon dispersion

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Authors: Hui-Yun Cao, Hai-Qing Zhou

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The high precision measurements and experiments play more and more important roles in particle physics and atomic physics. To analyse the precise experimental data sets, the corresponding precise and reliable theoretical calculations are necessary. Until now, the form factors of elemental constituents such as pion and proton are still attractive issues in current Quantum Chromodynamics (QCD). In this work, the two-photon-exchange (TPE) effects in ep→enπ⁺ at small -t are discussed within a hadronic model. Under the pion dominance approximation and the limit mₑ→0, the TPE contribution to the amplitude can be described by a scalar function. We calculate TPE contributions to the amplitude, and the unpolarized differential cross section with the only elastic intermediate state is considered. The results show that the TPE corrections to the unpolarized differential cross section are about from -4% to -20% at Q²=1-1.6 GeV². After considering the TPE corrections to the experimental data sets of unpolarized differential cross section, we analyze the TPE corrections to the separated cross sections σ(L,T,LT,TT). We find that the TPE corrections (at Q²=1-1.6 GeV²) to σL are about from -10% to -30%, to σT are about 20%, and to σ(LT,TT) are much larger. By these analyses, we conclude that the TPE contributions in ep→enπ⁺ at small -t are important to extract the separated cross sections σ(L,T,LT,TT) and the electromagnetic form factor of π⁺ in the experimental analysis.

Keywords: differential cross section, form factor, hadronic, two-photon

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Authors: Julio Franco

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Water is used, directly and indirectly, in all activities of the construction productive chain, making it a subject of worldwide relevance for sustainable development. The ongoing expansion of urban areas leads to a high demand for natural resources, which in turn cause significant environmental impacts. The present work proposes the application of BIM tools to assist the measurement of the water footprint (WF) of civil construction supplies. Data was inserted into the model as element properties, allowing them to be analyzed by element or in the whole model. The WF calculation was automated using parameterization in Autodesk Revit software. Parameterization was associated to the materials of each element in the model so that any changes in these elements directly alter the results of WF calculations. As a case study, we applied into a building project model to test the parameterized calculus of WF. Results show that the proposed parameterization successfully automated WF calculations according to design changes. We envision this tool to assist the measurement and rationalization of the environmental impact in terms of WF of construction projects.

Keywords: building information modeling, BIM, sustainable development, water footprint

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Authors: Reini S. Ilmiaty, Muhammad B. Al Amin, Sarino, Muzamil Jariski

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Kedukan River is an artificial river which serves as a Watershed Boang drainage channel in Palembang. The river has upstream and downstream connected to Musi River, that often overflowing and flooding caused by the huge runoff discharge and high tide water level of Musi River. This study aimed to analyze the flood water surface profile on Kedukan River continued with flood inundation simulation to determine flooding prone areas in research area. The analysis starts from the peak runoff discharge calculations using rational method followed by water surface profile analysis using HEC-RAS program controlled by manual calculations using standard stages. The analysis followed by running flood inundation simulation using ArcGIS program that has been integrated with HEC-GeoRAS. Flood inundation simulation on Kedukan River creates inundation characteristic maps with depth, area, and circumference of inundation as the parameters. The inundation maps are very useful in providing an overview of flood prone areas in Kedukan River.

Keywords: flood modelling, HEC-GeoRAS, HEC-RAS, inundation map

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Authors: M. Madigoe, R. Modiba

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High alloyed beta (β) phase-stabilized titanium alloys are known to have a low elastic modulus comparable to that of the human bone (≈30 GPa). The β phase in titanium alloys exhibits an elastic Young’s modulus of about 60-80 GPa, which is nearly half that of α-phase (100-120 GPa). In this work, a theoretical investigation of structural stability and thermodynamic stability, as well as the elastic properties of a quaternary Ti-Nb-Ta-Zr alloy, will be presented with an attempt to lower Young’s modulus. The structural stability and elastic properties of the alloy were evaluated using the first-principles approach within the density functional theory (DFT) framework implemented in the CASTEP code. The elastic properties include bulk modulus B, elastic Young’s modulus E, shear modulus cʹ and Poisson’s ratio v. Thermodynamic stability, as well as the fraction of β phase in the alloy, was evaluated using the Thermo-Calc software package. Thermodynamic properties such as Gibbs free energy (Δ?⁰?) and enthalpy of formation will be presented in addition to phase proportion diagrams. The stoichiometric compositions of the alloy is Ti-Nbx-Ta5-Zr5 (x = 5, 10, 20, 30, 40 at.%). An optimum alloy composition must satisfy the Born stability criteria and also possess low elastic Young’s modulus. In addition, the alloy must be thermodynamically stable, i.e., Δ?⁰? < 0.

Keywords: elastic modulus, phase proportion diagram, thermo-calc, titanium alloys

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Authors: Ellis D. Cooper

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“Circularchy” is supposed to be an adjustable formal framework with enough expressive power to articulate biological theory about Earthly Life in the sense of multi-scale biological autonomy constrained by non-equilibrium thermodynamics. “Formal framework” means specifically a multi-sorted first-order-theorywithequality (for each sort). Philosophically, such a theory is one kind of “microlect,” which means a “way of speaking” (or, more generally, a “way of behaving”) for overtly expressing a “mental model” of some “referent.” Other kinds of microlect include “natural microlect,” “diagrammatic microlect,” and “behavioral microlect,” with examples such as “political theory,” “Euclidean geometry,” and “dance choreography,” respectively. These are all describable in terms of a vocabulary conforming to grammar. As aspects of human culture, they are possibly reminiscent of Ernst Cassirer’s idea of “symbolic form;” as vocabularies, they are akin to Richard Rorty’s idea of “final vocabulary” for expressing a mental model of one’s life. A formal microlect is presented by stipulating sorts, variables, calculations, predicates, and postulates. Calculations (a.k.a., “terms”) may be composed to form more complicated calculations; predicates (a.k.a., “relations”) may be logically combined to form more complicated predicates; and statements (a.k.a., “sentences”) are grammatically correct expressions which are true or false. Conclusions are statements derived using logical rules of deduction from postulates, other assumed statements, or previously derived conclusions. A circularchy is a formal microlect constituted by two or more sub-microlects, each with its distinct stipulations of sorts, variables, calculations, predicates, and postulates. Within a sub-microlect some postulates or conclusions are equations which are statements that declare equality of specified calculations. An equational bond between an equation in one sub-microlect and an equation in either the same sub-microlect or in another sub-microlect is a predicate that declares equality of symbols occurring in a side of one equation with symbols occurring in a side of the other equation. Briefly, a circularchy is a network of equational bonds between sub-microlects. A circularchy is solvable if there exist solutions for all equations that satisfy all equational bonds. If a circularchy is not solvable, then a challenge would be to discover the obstruction to solvability and then conjecture what adjustments might remove the obstruction. Adjustment means changes in stipulated ingredients (sorts, etc.) of sub-microlects, or changes in equational bonds between sub-microlects, or introduction of new sub-microlects and new equational bonds. A circularchy is modular insofar as each sub-microlect is a node in a network of equation bonds. Solvability of a circularchy may be conjectured. Efforts to prove solvability may be thwarted by a counter-example or may lead to the construction of a solution. An automated theorem-proof assistant would likely be necessary for investigating a substantial circularchy, such as one purported to represent Earthly Life. Such investigations (chains of statements) would be concurrent with and no substitute for simulations (chains of numbers).

Keywords: autonomy, first-order theory, mathematics, thermodynamics

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Authors: Lara Bettinelli, Bernhard Glatz, Josef Fink

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Planning engineers and researchers use various calculation models with different levels of complexity, calculation efficiency and accuracy in dynamic calculations of railway bridges under high-speed traffic. When choosing a vehicle model to depict the dynamic loading on the bridge structure caused by passing high-speed trains, different goals are pursued: On the one hand, the selected vehicle models should allow the calculation of a bridge’s vibrations as realistic as possible. On the other hand, the computational efficiency and manageability of the models should be preferably high to enable a wide range of applications. The commonly adopted and straightforward vehicle model is the moving load model (MLM), which simplifies the train to a sequence of static axle loads moving at a constant speed over the structure. However, the MLM can significantly overestimate the structure vibrations, especially when resonance events occur. More complex vehicle models, which depict the train as a system of oscillating and coupled masses, can reproduce the interaction dynamics between the vehicle and the bridge superstructure to some extent and enable the calculation of more realistic bridge accelerations. At the same time, such multi-body models require significantly greater processing capacities and precise knowledge of various vehicle properties. The European standards allow for applying the so-called additional damping method when simple load models, such as the MLM, are used in dynamic calculations. An additional damping factor depending on the bridge span, which should take into account the vibration-reducing benefits of the vehicle-bridge interaction, is assigned to the supporting structure in the calculations. However, numerous studies show that when the current standard specifications are applied, the calculation results for the bridge accelerations are in many cases still too high compared to the measured bridge accelerations, while in other cases, they are not on the safe side. A proposal to calculate the additional damping based on extensive dynamic calculations for a parametric field of simply supported bridges with a ballasted track was developed to address this issue. In this contribution, several different approaches to determine the additional damping of the supporting structure considering the vehicle-bridge interaction when using the MLM are compared with one another. Besides the standard specifications, this includes the approach mentioned above and two additional recently published alternative formulations derived from analytical approaches. For a bridge catalogue of 65 existing bridges in Austria in steel, concrete or composite construction, calculations are carried out with the MLM for two different high-speed trains and the different approaches for additional damping. The results are compared with the calculation results obtained by applying a more sophisticated multi-body model of the trains used. The evaluation and comparison of the results allow assessing the benefits of different calculation concepts for the additional damping regarding their accuracy and possible applications. The evaluation shows that by applying one of the recently published redesigned additional damping methods, the calculation results can reflect the influence of the vehicle-bridge interaction on the design-relevant structural accelerations considerably more reliable than by using normative specifications.

Keywords: Additional Damping Method, Bridge Dynamics, High-Speed Railway Traffic, Vehicle-Bridge-Interaction

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Authors: Abdulrahman S. Alqahtani

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The revolution of computing and networks could revolutionise terrorism in the same way that it has brought about changes in other aspects of life. The modern technological era has faced countries with a new set of security challenges. There are many states and potential adversaries who have the potential and capacity in cyberspace, which makes them able to carry out cyber-attacks in the future. Some of them are currently conducting surveillance, gathering and analysis of technical information, and mapping of networks and nodes and infrastructure of opponents, which may be exploited in future conflicts. This poster presents the results of the quantitative study (survey) to test the validity of the proposed theoretical framework for the cyber terrorist threats. This theoretical framework will help to in-depth understand these new digital terrorist threats. It may also be a practical guide for managers and technicians in critical infrastructure, to understand and assess the threats they face. It might also be the foundation for building a national strategy to counter cyberterrorism. In the beginning, it provides basic information about the data. To purify the data, reliability and exploratory factor analysis, as well as confirmatory factor analysis (CFA) were performed. Then, Structural Equation Modelling (SEM) was utilised to test the final model of the theory and to assess the overall goodness-of-fit between the proposed model and the collected data set.

Keywords: cyberterrorism, critical infrastructure, , national security, theoretical framework, terrorism

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Authors: Sherif M. Hafez, Remon F. Aziz, May S. A. Elalim

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Project managers today rely on scheduling tools based on the Critical Path Method (CPM) to determine the overall project duration and the activities’ float times which lead to greater efficiency in planning and control of projects. CPM was useful for scheduling construction projects, but researchers had highlighted a number of serious drawbacks that limit its use as a decision support tool and lacks the ability to clearly record and represent detailed information. This paper discusses the drawbacks of CPM as a scheduling technique and presents a modified critical path method (CPM) model which is called critical path segments (CPS). The CPS scheduling mechanism addresses the problems of CPM in three ways: decomposing the activity duration of separated but connected time segments; all relationships among activities are converted into finish–to–start relationship; and analysis and calculations are made with forward path. Sample cases are included to illustrate the shortages in CPM, CPS full analysis and calculations are explained in details, and how schedules can be handled better with the CPS technique.

Keywords: construction management, scheduling, critical path method, critical path segments, forward pass, float, project control

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Authors: Zeineb Deymi-Gheriani

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In the last two decades, one can clearly observe a boom of interest for e-learning and web-supported programs. However, one can also notice that many of these programs focus on the accumulation and delivery of content generally as a business industry with no much concern for theoretical underpinnings. The existing research, at least in online English language teaching (ELT), has demonstrated a lack of an effective online teaching pedagogy anchored in a well-defined theoretical framework. Hence, this paper comes as an attempt to present constructivism as one of the theoretical bases for the design of an effective online language teaching pedagogy which is at the same time technologically intelligent and theoretically informed to help envision how education can best take advantage of the information and communication technology (ICT) tools. The present paper discusses the key principles underlying constructivism, its implications for online language teaching design, as well as its limitations that should be avoided in the e-learning instructional design. Although the paper is theoretical in nature, essentially based on an extensive literature survey on constructivism, it does have practical illustrations from an action research conducted by the author both as an e-tutor of English using Moodle online educational platform at the Virtual University of Tunis (VUT) from 2007 up to 2010 and as a face-to-face (F2F) English teaching practitioner in the Professional Certificate of English Language Teaching Training (PCELT) at AMIDEAST, Tunisia (April-May, 2013).

Keywords: active learning, constructivism, experiential learning, Piaget, Vygotsky

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Authors: S. Holly, R. Schnitzer, P. Haslberger, D. Zügner

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The development of new filler consumables necessitates a high effort regarding samples and experiments to achieve the required mechanical properties and chemistry. In the scope of the development of a metal-cored wire with the target tensile strength of 1150 MPa and acceptable impact toughness, thermodynamic and kinetic calculations via MatCalc were used to reduce the experimental work and the resources required. Micro alloying elements were used to reach the high strength as an alternative approach compared to the conventional solid solution hardening. In order to understand the influence of different micro alloying elements in more detail, the influence of different elements on the precipitation behavior in the weld metal was evaluated. Investigations of the microstructure were made via atom probe and EBSD to understand the effect of micro alloying elements. The calculated results are in accordance with the results obtained by experiments and can be explained by the microstructural investigations. On the example of aluminium, the approach is exemplified and clarifies the efficient way of development.

Keywords: alloy development, high strength steel, MatCalc, metal-cored wire

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Authors: Mariya V. Yanyukina, Michael A. Bolotov

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Assembling accuracy is the degree of accordance between the actual values of the parameters obtained during assembly, and the values specified in the assembly drawings and technical specifications. However, the assembling accuracy depends not only on the quality of the production process but also on the correctness of the assembly process. Therefore, preliminary calculations of assembly stages are carried out to verify the correspondence of real geometric parameters to their acceptable values. In the aviation industry, most calculations involve interacting dimensional chains. This greatly complicates the task. Solving such problems requires a special approach. The purpose of this article is to carry out the problem of improving the technology of assembly of aviation units by use of computer calculations. One of the actual examples of the assembly unit, in which there is an interacting dimensional chain, is the turbine wheel of gas turbine engine. Dimensional chain of turbine wheel is formed by geometric parameters of disk and set of blades. The interaction of the dimensional chain consists in the formation of two chains. The first chain is formed by the dimensions that determine the location of the grooves for the installation of the blades, and the dimensions of the blade roots. The second dimensional chain is formed by the dimensions of the airfoil shroud platform. The interaction of the dimensional chain of the turbine wheel is the interdependence of the first and second chains by means of power circuits formed by a plurality of middle parts of the turbine blades. The timeliness of the calculation of the dimensional chain of the turbine wheel is the need to improve the technology of assembly of this unit. The task at hand contains geometric and mathematical components; therefore, its solution can be implemented following the algorithm: 1) research and analysis of production errors by geometric parameters; 2) development of a parametric model in the CAD system; 3) creation of set of CAD-models of details taking into account actual or generalized distributions of errors of geometrical parameters; 4) calculation model in the CAE-system, loading of various combinations of models of parts; 5) the accumulation of statistics and analysis. The main task is to pre-simulate the assembly process by calculating the interacting dimensional chains. The article describes the approach to the solution from the point of view of mathematical statistics, implemented in the software package Matlab. Within the framework of the study, there are data on the measurement of the components of the turbine wheel-blades and disks, as a result of which it is expected that the assembly process of the unit will be optimized by solving dimensional chains.

Keywords: accuracy, assembly, interacting dimension chains, turbine

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Authors: Timothy William Lawrence

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The goal of this paper is to research and categorize the four basic verb types found in the Spanish descriptive grammar book Método de los Relojes using verb clauses as representation as found in M.A.K. Halliday's Systemic-Functional Grammar with the purpose of establishing theoretical along with syntactical parallels and deviations between English and Spanish. Results confirm theoretical correlations exist therefore leading to an analysis of English grammar syntax resulting in delineating commonalities and differences from Spanish. Corpora searches were carried out on different patterns of syntactical structures confirming divergences in verb syntax, making it possible to establish parameters to adapt English verbs to the criteria of the four basic Método de los Relojes verb types.

Keywords: corpus studies, Método de los Relojes, structural-functional grammar, verb syntax

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Authors: Hany M. Abd El-Lateef

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Two novel Schiff bases, 5-bromo-2-[(E)-(pyridin-3-ylimino) methyl] phenol (HBSAP) and 5-bromo-2-[(E)-(quinolin-8-ylimino) methyl] phenol (HBSAQ) have been synthesized. They have been characterized by elemental analysis and spectroscopic techniques (UV–Vis, IR and NMR). Moreover, the molecular structure of HBSAP and HBSAQ compounds are determined by single crystal X-ray diffraction technique. The inhibition activity of HBSAP and HBSAQ for carbon steel in 3.5 %NaCl+0.1 M HCl for both short and long immersion time, at different temperatures (20-50 ºC), was investigated using electrochemistry and surface characterization. The potentiodynamic polarization shows that the inhibitors molecule is more adsorbed on the cathodic sites. Its efficiency increases with increasing inhibitor concentrations (92.8 % at the optimal concentration of 10-3 M for HBSAQ). Adsorption of the inhibitors on the carbon steel surface was found to obey Langmuir’s adsorption isotherm with physical/chemical nature of the adsorption, as it is shown also by scanning electron microscopy. Further, the electronic structural calculations using quantum chemical methods were found to be in a good agreement with the results of the experimental studies.

Keywords: carbon steel, Schiff bases, corrosion inhibition, SEM, electrochemical techniques

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Authors: K. K. Riabchenko, T. V Rybitskaya, A. A. Starostenko

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Sper Charm-Tau Factory is a double ring e+e- collider to be operated in the center-of-mass energy range from 2 to 6 GeV, with a peak luminosity of about 1035 cm-2s-1 (Crab Waist collision) and with longitudinally polarized electrons at the IP (interaction point). One of the important elements of the cτ-factory is the superconducting two-aperture quadrupole of the final focus. It was decided to make a full-scale prototype quadrupole. The main objectives of our study included: 1) 3D modeling of the quadrupole in the Opera program, 2) Optimization of the geometry of the quadrupole lens, 3) Study of the influence of magnetic properties and geometry of a quadrupole on integral harmonics. In addition to this, the ways of producing unwanted harmonics have been studied. In the course of this work, a 3D model of a two-aperture iron superconducting quadrupole lens was created. A three-dimensional simulation of the magnetic field was performed, and the geometrical parameters of the lens were selected. Calculations helped to find sources of possible errors and methods for correcting unwanted harmonics. In addition to this, calculations show that there are no obstacles to the production of a prototype lens.

Keywords: super cτ-factory, final focus, twin aperture quadrupole lens, integral harmonics

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Authors: Kingfahd Adewale Adedapo, Adekunle Ajisebiyawo

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The focus of this paper is to explore the different theoretical perspectives that underline academic attempts at understanding and explaining the nature of conflicts in Africa. The African environment is riddled with the past history of conflicts among groups either for an economic outlet or imperial space, and most often, such past negative interactions have made it difficult even now for some of these groups to live harmoniously together within the present state system and to trust each other. The paper observed that no one theory or explanatory schema could offer a holistic explanation of conflict in Africa. At best, each of the possible theories can only offer a partial explanation of the causes and nature of conflict in a particular African society or state. This paper, therefore, attempted to synthesize the many sources of theories of conflicts and provided the intellectual background from which these different theories emanated. Therefore, if this paper has done anything at all, it is to offer the basis for assessing different theoretical strands aimed at offering cogent and reliable explanations for most of the conflicts in Africa and especially in the West African sub-region.

Keywords: conflict, functionalism, humanitarianism, structuralism, theory

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Authors: Ming-Yen Chang, Sheng-Hung Ke

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This research focuses on the development of a speed bump identification system for real-time control of adjustable shock absorbers in vehicular suspension systems. The study initially involved the collection of images of various speed bumps, and rubber speed bump profiles found on roadways. These images were utilized for training and recognition purposes through the deep learning object detection algorithm YOLOv5. Subsequently, the trained speed bump identification program was integrated with an in-vehicle camera system for live image capture during driving. These images were instantly transmitted to a computer for processing. Using the principles of monocular vision ranging, the distance between the vehicle and an approaching speed bump was determined. The appropriate control distance was established through both practical vehicle measurements and theoretical calculations. Collaboratively, with the electronically adjustable shock absorbers equipped in the vehicle, a shock absorber control system was devised to dynamically adapt the damping force just prior to encountering a speed bump. This system effectively mitigates passenger discomfort and enhances ride quality.

Keywords: adjustable shock absorbers, image recognition, monocular vision ranging, ride

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Authors: Maya Saade, Rafic Younes, Pascal Lafon

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This paper explores the transformative impact of smartphones on pedagogy and presents a smartphone application developed specifically for engineering problem-solving and educational purposes. The widespread availability and advanced capabilities of smartphones have revolutionized the way we interact with technology, including in education. The ubiquity of smartphones allows learners to access educational resources anytime and anywhere, promoting personalized and self-directed learning. The first part of this paper discusses the overall influence of smartphones on pedagogy, emphasizing their potential to improve learning experiences through mobile technology. In the context of engineering education, this paper focuses on the development of a dedicated smartphone application that serves as a powerful tool for both engineering problem-solving and education. The application features an intuitive and user-friendly interface, allowing engineering students and professionals to perform complex calculations and analyses on their smartphones. The smartphone application primarily focuses on beam calculations and serves as a comprehensive beam calculator tailored to engineering education. It caters to various engineering disciplines by offering interactive modules that allow students to learn key concepts through hands-on activities and simulations. With a primary emphasis on beam analysis, this application empowers users to perform calculations for statically determinate beams, statically indeterminate beams, and beam buckling phenomena. Furthermore, the app includes a comprehensive library of engineering formulas and reference materials, facilitating a deeper understanding and practical application of the fundamental principles in beam analysis. By offering a wide range of features specifically tailored for beam calculation, this application provides an invaluable tool for engineering students and professionals looking to enhance their understanding and proficiency in this crucial aspect of a structural engineer.

Keywords: mobile devices in education, solving engineering problems, smartphone application, engineering education

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Authors: Jiang Hua Zhou

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According to the article "New Theoretical System of Physics in the 21st Century" published by the author, it is proposed to use the "scientific principle" of the "balanced distance" between "gravity" and "repulsion" between "planets" to "research" - "space flying saucer", and The formula for the law of universal repulsion between substances is proposed. Under the guidance of the new theoretical system, according to the principle of "planet" gravitational and repulsive force, the research and development idea of developing discharge-type "space flying saucer" is put forward. This paper expounds the reasons why flying saucers have the following characteristics: Flying Saucers can fly at high speed, change direction immediately, hover at any height on the earth, and there is no sound when flying. With the birth of the theoretical system of physics in the 21st century advocated by the author, a era of interstellar "space flying saucer" research will be created.

Keywords: planet, attraction, repulsive force, balance spacing, scientific principles, research, space, flying saucer

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Authors: Karkour Selma

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We conducted first principles full potential calculations using the Wien2k code to explore the structural, electronic, magnetic, and optical properties of SiNi₂O₄, a cubic normal spinel oxide. Our calculations, based on the GGA-PBEsol of the generalized gradient approximation, revealed several key findings. The spinel oxides exhibited a stable cubic structure in the ferromagnetic phase and showed 100% spin polarization. We determined the equilibrium lattice constant and internal parameter values. In terms of the electronic properties, we observed a direct bandgap of 2.68 eV for the spin-up configuration, while the spin-down configuration exhibited an indirect bandgap of 0.82 eV. Additionally, we calculated the total density of states and partial densities for each atom, finding a magnetic moment spin density of states of 8.0 μB per formula unit. The optical properties have been calculated. The real, Ԑ₁(ω) and the imaginary, Ԑ₂(ω) parts of the complex dielectric constants, refractivity, reflection and energy loss when light scattered from the material. The absorption region spanned from 1.5 eV to 14 eV, with significant intensity. The calculated results confirm the suitability of this material for optical and spintronic devices application.

Keywords: DFT, spintronic, GGA, spinel

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Authors: J. Scott Kenney

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Not all pain is created equal. In recent decades, the concept of Illegitimate pain has begun to shed light on the phenomena of emotional and physical pain that is misunderstood, neglected, or stigmatized, broadly conceptualized along dimensions of relative legitimation and physicality. Yet, beyond a pioneering study of the suffering of closeted LGBTQ + individuals, along with an analysis of the pains experienced by students at a religious boarding school, there has been insufficient attention to what lies behind such marginalized suffering beyond the original claim that it relates to broad interpretive standards and structured power relations, mediated through interaction in various groups/settings. This paper seeks to delve theoretically into this underdeveloped terrain. Building on earlier work, it takes direct aim at the definitional aspect that lies analytically prior to such matters, theoretically unpacking the role of ideology. Following a general introduction focused on theoretical relationships between social structure, power, and ideas, the paper reviews a range of sociological literature on relevant matters. After condensing the insights from these various literatures into a series of theoretical statements, the paper analytically engages with these to articulate a series of theoretical and methodological elaborations intended to practically assist researchers in empirically examining such matters in today's complex social environment.

Keywords: deviance, ideology, illegitimate pain, social theory, victimization

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Authors: Radomir Perzina, Jaroslav Ramik

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The Analytic Hierarchy Process is frequently used approach for solving decision making problems. There exists wide range of software programs utilizing that approach. Their main disadvantage is that they are relatively expensive and missing intermediate calculations. This work introduces a Microsoft Excel add-in called DAME – Decision Analysis Module for Excel. Comparing to other computer programs DAME is free, can work with scenarios or multiple decision makers and displays intermediate calculations. Users can structure their decision models into three levels – scenarios/users, criteria and variants. Items on all levels can be evaluated either by weights or pair-wise comparisons. There are provided three different methods for the evaluation of the weights of criteria, the variants as well as the scenarios – Saaty’s Method, Geometric Mean Method and Fuller’s Triangle Method. Multiplicative and additive syntheses are supported. The proposed software package is demonstrated on couple of illustrating examples of real life decision problems.

Keywords: analytic hierarchy process, multi-criteria decision making, pair-wise comparisons, Microsoft Excel, scenarios

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Authors: Mauricio Filho, Carina Castro

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The object of this project is to analyze long-time public agents that passed through several governments and see themselves in the position of having to deliberate with new agents, recently settled in the public administration. For theoretical ends, internal deliberation is understood as the one practiced on the public administration agencies, without any direct participation from the general public in the process. The assumption is: agents with longer periods of public service tend to step away from momentary political discussions that guide the current administration and seek to concentrate on institutionalized routines and procedures, making the most politically aligned individuals with the current government deliberate with less "passion" and more exchanging of knowledge and information. The theoretical framework of this research is institutionalism, which is guided by a more pragmatic view, facing the fluidity of reality in ways showing the multiple relations between agents and their respective institutions. The critical aspirations of this project rest on the works of professors Cass Sunstein, Adrian Vermeule, Philipp Pettit and in literature from both institutional theory and economic analysis of law, greatly influenced by the Chicago Law School. Methodologically, the paper is a theoretical review and pretends to be unfolded, in a future moment, in empirical tests for verification. This work has as its main analytical tool the appeal to theoretical and doctrinaire areas from the Juridical Sciences, by adopting the deductive and analytical method.

Keywords: institutions, state, law, agencies

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Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

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

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

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Authors: Carlos Alberto Santamaria Velasco

Abstract:

The study object of this chapter analyzes the case of the Centro Regional para la Calidad Empresarial (CreCE) starting from an analysis of the theoretical discussion about the universities as actors of the development and generation of enterprises. As well as the promotion of the entrepreneurial culture that they carry out in their environment of influence as part of the linkage and extension actions that have as one of their substantive functions, in addition to teaching and research. The objective is to know the theoretical discussion and the state of art about the entrepreneurial universities from the institutional theory of Douglas North, carrying out a theoretical analysis of the formal and informal factors from the universities linking the specific case of the CReCE. A literature review was carried out in the main journals in the topic of entrepreneurship, about the factors that influence the creation and development of entrepreneurial universities, complementing research in the study of a particular case, CreCE, and how this affects in the transformation of the CUVALLES(Centro Universitario de los Valles) in its way towards an entrepreneurial university.

Keywords: entrepreneurial university, institutional theory, university, entrepreneurial universities

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Authors: K. E. Oyetade, S. D. Eyono Obono

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One of the fundamental characteristics of Information and Communication Technology (ICT) has been the ever-changing nature of continuous release and models of ICTs with its impact on the academic, social, and psychological benefits of its introduction in schools. However, there seems to be a growing concern about its negative impact on students when introduced early in schools for teaching and learning. This study aims to design a model of child development factors affecting the early introduction of ICTs in schools in an attempt to improve the understanding of child development and introduction of ICTs in schools. The proposed model is based on a sound theoretical framework. It was designed following a literature review of child development theories and child development factors. The child development theoretical framework that fitted to the best of all child development factors was then chosen as the basis for the proposed model. This study hence found that the Jean Piaget cognitive developmental theory is the most adequate theoretical frameworks for modeling child development factors for ICT introduction in schools.

Keywords: child development factors, child development theories, ICTs, theory

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Authors: S. Benkraouda, Z. Djelloul-Khedda, B. Yagoubi

Abstract:

we present a method for early detection of forest fires from a thermal infrared satellite image, using the image matrix of the probability of belonging. The principle of the method is to compare a theoretical mathematical model to an experimental model. We considered that each line of the image matrix, as an embodiment of a non-stationary random process. Since the distribution of pixels in the satellite image is statistically dependent, we divided these lines into small stationary and ergodic intervals to characterize the image by an adequate mathematical model. A standard deviation was chosen to generate random variables, so each interval behaves naturally like white Gaussian noise. The latter has been selected as the mathematical model that represents a set of very majority pixels, which we can be considered as the image background. Before modeling the image, we made a few pretreatments, then the parameters of the theoretical Gaussian model were extracted from the modeled image, these settings will be used to calculate the probability of each interval of the modeled image to belong to the theoretical Gaussian model. The high intensities pixels are regarded as foreign elements to it, so they will have a low probability, and the pixels that belong to the background image will have a high probability. Finally, we did present the reverse of the matrix of probabilities of these intervals for a better fire detection.

Keywords: forest fire, forest fire detection, satellite image, normal distribution, theoretical gaussian model, thermal infrared matrix image

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Authors: E. Al Daoud

Abstract:

In many cases, theoretical treatments are available for models for which there is no perfect physical realization. In this situation, the only possible test for an approximate theoretical solution is to compare with data generated from a computer simulation. In this paper, Monte Carlo tools are used to study and compare the elementary particles models. All the experiments are implemented using 10000 events, and the simulated energy is 13 TeV. The mean and the curves of several variables are calculated for each model using MadAnalysis 5. Anomalies in the results can be seen in the muons masses of the minimal supersymmetric standard model and the two Higgs doublet model.

Keywords: Feynman rules, hadrons, Lagrangian, Monte Carlo, simulation

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Authors: Mei-Jie Xu, Yang Zhong

Abstract:

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

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

Procedia PDF Downloads 274