Search results for: density functional theoretical

Authors: Sangwoo Han, Saeed Khaleghi Rahimian, Ying Liu

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Vehicle electrification is gaining momentum, and many car manufacturers promise to deliver more electric vehicle (EV) models to consumers in the coming years. In controlling the battery pack, the battery management system (BMS) must maintain optimal battery performance while ensuring the safety of a battery pack. Tasks related to battery performance include determining state-of-charge (SOC), state-of-power (SOP), state-of-health (SOH), cell balancing, and battery charging. Safety related functions include making sure cells operate within specified, static and dynamic voltage window and temperature range, derating power, detecting faulty cells, and warning the user if necessary. The BMS often utilizes an RC circuit model to model a Li-ion cell because of its robustness and low computation cost among other benefits. Because an equivalent circuit model such as the RC model is not a physics-based model, it can never be a prognostic model to predict battery state-of-health and avoid any safety risk even before it occurs. A physics-based Li-ion cell model, on the other hand, is more capable at the expense of computation cost. To avoid the high computation cost associated with a full-order model, many researchers have demonstrated the use of a single particle model (SPM) for BMS applications. One drawback associated with the single particle modeling approach is that it forces to use the average current density in the calculation. The SPM would be appropriate for simulating drive cycles where there is insufficient time to develop a significant current distribution within an electrode. However, under a continuous or high-pulse electrical load, the model may fail to predict cell voltage or Li⁺ plating potential. To overcome this issue, a multi-particle reduced-order model is proposed here. The use of multiple particles combined with either linear or nonlinear charge-transfer reaction kinetics enables to capture current density distribution within an electrode under any type of electrical load. To maintain computational complexity like that of an SPM, governing equations are solved sequentially to minimize iterative solving processes. Furthermore, the model is validated against a full-order model implemented in COMSOL Multiphysics.

Keywords: battery management system, physics-based li-ion cell model, reduced-order model, single-particle and multi-particle model

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Authors: Bing Zhang, Jingyi Zhang, Mudan Chen

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Fibre-reinforced polymer (FRP) composites have been extensively utilised in various industries due to their high specific strength, e.g., aerospace, renewable energy, automotive, and marine. However, they have relatively low electrical conductivity than metals, especially in the out-of-plane direction. Conductive metal strips or meshes are typically employed to protect composites when designing lightweight structures that may be subjected to lightning strikes, such as composite wings. Unfortunately, this approach downplays the lightweight advantages of FRP composites, thereby limiting their potential applications. Extensive studies have been undertaken to improve the electrical conductivity of FRP composites. The authors are amongst the pioneers who use through-thickness reinforcement (TTR) to tailor the electrical conductivity of composites. Compared to the conventional approaches using conductive fillers, the through-thickness reinforcement approach has been proven to be able to offer a much larger improvement to the through-thickness conductivity of composites. In this study, an advanced high-fidelity numerical modelling strategy is presented to investigate the effects of through-thickness reinforcement on both the in-plane and out-of-plane electrical conductivities of FRP composites. The critical micro-structural features of through-thickness reinforced composites incorporated in the modelling framework are 1) the fibre waviness formed due to TTR insertion; 2) the resin-rich pockets formed due to resin flow in the curing process following TTR insertion; 3) the fibre crimp, i.e., fibre distortion in the thickness direction of composites caused by TTR insertion forces. In addition, each interlaminar interface is described separately. An IMA/M21 composite laminate with a quasi-isotropic stacking sequence is employed to calibrate and verify the modelling framework. The modelling results agree well with experimental measurements for bothering in-plane and out-plane conductivities. It has been found that the presence of conductive TTR can increase the out-of-plane conductivity by around one order, but there is less improvement in the in-plane conductivity, even at the TTR areal density of 0.1%. This numerical tool provides valuable references as a design tool for through-thickness reinforced composites when exploring their electrical applications. Parametric studies are undertaken using the numerical tool to investigate critical parameters that affect the electrical conductivities of composites, including TTR material, TTR areal density, stacking sequence, and interlaminar conductivity. Suggestions regarding the design of electrical through-thickness reinforced composites are derived from the numerical modelling campaign.

Keywords: composite structures, design, electrical conductivity, numerical modelling, through-thickness reinforcement

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Authors: Sunil Tumkur Dakshinamurthy, Mamootil Zachariah Kurian

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Change requirement traceability in object oriented software systems is one of the challenging areas in research. We know that the traces between links of different artifacts are to be automated or semi-automated in the software development life cycle (SDLC). The aim of this paper is discussing and implementing aspects of dynamically linking the artifacts such as requirements, high level design, code and test cases through the Extensible Markup Language (XML) or by dynamically generating Object Oriented (OO) metrics. Also, non-functional requirements (NFR) aspects such as stability, completeness, clarity, validity, feasibility and precision are discussed. We discuss this as a Fifth Taxonomy, which is a system vulnerability concern.

Keywords: artifacts, NFRs, OO metrics, SDLC, XML

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Authors: M. Atef Gabr, M. H. Abdel Latif, Ramadan El Gamsy

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Sandwich panels comprise a thick, light-weight plastic foam such as polyurethane (PU) sandwiched between two relatively thin faces. One or both faces may be flat, lightly profiled or fully profiled. Until recently sandwich panel construction in Egypt has been widely used in cold-storage buildings, cold trucks, prefabricated buildings and insulation in construction. Recently new techniques are used in mass production of Sandwich Materials such as Reaction Injection Molding (RIM) and Vacuum bagging technique. However, in recent times their use has increased significantly due to their widespread structural applications in building systems. Structural sandwich panels generally used in Egypt comprise polyurethane foam core and thinner (0.42 mm) and high strength about 550 MPa (yield strength) flat steel faces bonded together using separate adhesives and By RIM technique. In this paper, we will use a new technique in sandwich panel preparation by using different face sheet materials in combination with polyurethane foam to form sandwich panel structures. Previously, PU Foam core with same thin 2 faces material was used, but in this work, we use different face materials and thicknesses for the upper face sheet such as Galvanized steel sheets (G.S),Aluminum sheets (Al),Fiberglass sheets (F.G) and Aluminum-Rubber composite sheets (Al/R) with polyurethane foam core 10 mm thickness and 45 Kg/m3 Density and Galvanized steel as lower face sheet. Using Aluminum-Rubber composite sheets as face sheet is considered a hybrid composite sandwich panel which is built by Hand-Layup technique by using PU glue as adhesive. This modification increases the benefits of the face sheet that will withstand different working environments with relatively small increase in its weight and will be useful in several applications. In this work, a 3-point bending test is used assistant professor to measure the most important factor in sandwich materials that is strength to weight ratio(STW) for different combinations of sandwich structures and make a comparison to study the effect of changing the face sheet material on the mechanical behavior of PU sandwich material. Also, the density of the different prepared sandwich materials will be measured to obtain the specific bending strength.

Keywords: hybrid sandwich panel, mechanical behavior, PU foam, sandwich panel, 3-point bending, flexural strength

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Authors: T. Tahri, H. Zahloul, K. E. Meddah, H. Lazergue

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This paper presents a theoretical study that leads to the design of a photovoltaic pumping system to irrigate six hectares of oranges in the valley of Chlef using the software "PVSYST". It was shown that the site of Chlef presents a favorable climate to this type of energy with an irradiation of over 5 kWh/m2/day, and significant resources underground water. Another very important coincidence still promotes the use of this type of energy for pumping water in Chlef is that the demand for water, especially in agriculture, peaked in hot and dry where it is precisely when one has access to the maximum of solar energy.

Keywords: solar energy, irradiation, water pumping, design, Valley of Chlef

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Authors: Zylfi Shehu, Shpetim Madani, Bashkim Delia

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Context: The study focuses on the interest and engagement of high school students in Tirana, Albania, in physical activity, sports, and foreign languages. It acknowledges the numerous physiological benefits of physical activity, such as cardiovascular health and improved mood. It also recognizes the importance of physical activity in childhood and adolescence for proper skeletal development and long-term health. Research Aim: The main purpose of the study is to investigate and analyze the preferences and interests of male and female high school students in Tirana regarding their functional development, physical activity, sports participation, and choice of foreign languages. The aim is to provide insights for the students and teachers to guide future objectives and improve the quality of physical education. Methodology: The study employed a survey-based approach, targeting both male and female students in public high schools in Tirana. A total of 410 students aged 15 to 19 years old, participated in the study. The data collected from the survey were processed using Excel and presented through tables and graphs. Findings: The results revealed that team sports were more favored by the students, with football being the preferred choice among males, while basketball and volleyball were more popular among females. Additionally, English was found to be the most preferred foreign language, selected by a higher percentage of females (38.57%) compared to males (16.90%). German followed as the second preferred language. Theoretical Importance: This study contributes to the understanding of students' interests in physical activity, sports, and foreign languages in Tirana's high schools. The findings highlight the need to focus on specific sports and languages to cater to students' preferences and guide future educational objectives. It also emphasizes the importance of physical education in promoting students' overall well-being and highlights potential areas for policy and program improvement. Data Collection and Analysis Procedures: The study collected data through surveys administered to high school students in Tirana. The survey responses were processed and analyzed using Excel, and the findings were presented through tables and graphs. The data analysis allowed for the identification of preferences and trends among male and female students, providing valuable insights for future decision-making. Question Addressed: The study aimed to address the question of high school students' interest in physical activity, sports, and foreign languages. It sought to understand the preferences and choices made by students in Tirana and investigate factors such as gender, family income, and accessibility to extracurricular sports activities. Conclusion: The study revealed that high school students in Tirana show a preference for team sports, with football being the most favored among males and basketball and volleyball among females. English was found to be the most preferred foreign language. The findings provide important insights for educators and policymakers to enhance physical education programs and consider students' preferences and interests to foster a more effective learning environment. The study also emphasizes the importance of physical activity and sports in promoting students' physical and mental well-being.

Keywords: female, male, foreign languages, sports, physical education, high school students

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Authors: Harri Jalonen

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Social media has changed the ways we communicate, collaborate and connect with each other. It has also influenced our habits of consuming sports. Social media has allowed direct interaction between sponsoring companies, athletes/players and fans. Drawing on the service dominant logic of value co-creation, the conceptual paper identifies three operant resources which are beneficial for value co-creation: i) social identity and sense of community, ii) congruence and brand personality, and iii) participatory culture and fan activation. The paper contributes to the theoretical discussion on how social can be media used for value co-creation purposes in the sports industry.

Keywords: sports, value co-creation, social media, service

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Authors: Fakhreldin O. Suliman, Alia H. Al-Battashi

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This work explored the interaction of three different imidazoline drugs, naphazoline nitrate (NPH), oxymetazoline hydrochloride (OXY) and xylometazoline hydrochloride (XYL) with two different synthesized cucurbit[n]urils CB[n], cucurbit[7]uril (CB[7]) and cucuribit[8]uril (CB[8]). Three binary inclusion complexes have been investigated in solution and in the solid state. The solid complexes were obtained by lyophilization, whereas the physical mixtures of guests and hosts at a stoichiometric ratio of 1:1 were obtained for each drug. 1HNMR, electrospray ionization mass spectrometry (ESI-MS), and matrix-assisted laser desorption-ionization time-of-flight (MALDI-TOF) mass spectrometry was used to study the complexes prepared in aqueous media. The lyophilized solid complexes were characterized by Fourier transform-infrared spectroscopy (FT-IR), powder X-ray diffractometry (PXRD), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). MS, FT-IR and PXRD experimental results established in this work reveal that NPH, OXY and XYL molecules form stable inclusion complexes with the two hosts. The TGA and DSC confirmed the enhancement of the thermal stability of each drug and the production of a thermally stable solid complex. The 1HNMR has shown that the protons of the guests faced shifting in ppm and broadening of their peaks upon the formation of inclusion complexes with the selected CB[n]. The aromatic protons of the guest exhibited the highest changes in the chemical shifts and shape of the NMR peaks, suggesting their inclusion into the cavity of the CB[n]. The diffusion coefficients (D), developed from the diffusion-controlled NMR Spectroscopy (DOSY) measurements, for the complexation of the selected imidazoline drugs with CB[7] and CB[8], were decreased in the presence of hosts compared to the free guests indicating the formation of the guest-host adduct. Furthermore, we conducted molecular dynamic simulations and quantum mechanics calculations on these complexes. The results of the theoretical study corroborate the experimental findings and have also shed light on the mechanism of inclusion of the guests into the two hosts. This study generates initial data for potential drug delivery or drug formulation systems for these three selected imidazoline drug compounds based on their inclusion into the CB[n] cavities.

Keywords: cucurbit[n]urils, imidazoline, inclusion complexes, molecular dynamics, DFT calculations, mass spectrometry

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Authors: Mohamed Abdelkareem

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Remote sensing data contributed on predicting the prospective areas of water resources. Integration of microwave and multispectral data along with climatic, hydrologic, and geological data has been used here. In this article, Sentinel-2, Landsat-8 Operational Land Imager (OLI), Shuttle Radar Topography Mission (SRTM), Tropical Rainfall Measuring Mission (TRMM), and Advanced Land Observing Satellite (ALOS) Phased Array Type L‐band Synthetic Aperture Radar (PALSAR) data were utilized to identify the geological, hydrologic and structural features of Wadi Asyuti which represents a defunct tributary of the Nile basin, in the eastern Sahara. The image transformation of Sentinel-2 and Landsat-8 data allowed characterizing the different varieties of rock units. Integration of microwave remotely-sensed data and GIS techniques provided information on physical characteristics of catchments and rainfall zones that are of a crucial role for mapping groundwater prospective zones. A fused Landsat-8 OLI and ALOS/PALSAR data improved the structural elements that difficult to reveal using optical data. Lineament extraction and interpretation indicated that the area is clearly shaped by the NE-SW graben that is cut by NW-SE trend. Such structures allowed the accumulation of thick sediments in the downstream area. Processing of recent OLI data acquired on March 15, 2014, verified the flood potential maps and offered the opportunity to extract the extent of the flooding zone of the recent flash flood event (March 9, 2014), as well as revealed infiltration characteristics. Several layers including geology, slope, topography, drainage density, lineament density, soil characteristics, rainfall, and morphometric characteristics were combined after assigning a weight for each using a GIS-based knowledge-driven approach. The results revealed that the predicted groundwater potential zones (GPZs) can be arranged into six distinctive groups, depending on their probability for groundwater, namely very low, low, moderate, high very, high, and excellent. Field and well data validated the delineated zones.

Keywords: GIS, remote sensing, groundwater, Egypt

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Authors: Wasan Ismail Khalil, Hisham Khalid Ahmed, Zainab Ali

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Structural Lightweight Aggregate Concrete (SLWAC) has been developed in recent years because it reduces the dead load, cost, thermal conductivity and coefficient of thermal expansion of the structure. So SLWAC has the advantage of being a relatively green building material. Lightweight Aggregate (LWA) is either occurs as natural material such as pumice, scoria, etc. or as artificial material produced from different raw materials such as expanded shale, clay, slate, etc. The use of SLWAC in Iraq is limited due to the lack in natural LWA. The existence of Iraqi clay deposit with different types and characteristics leads to the idea of producing artificial expanded clay aggregate. The main aim in this work is to present of the properties of artificial LWA produced in the laboratory. Available local bentonite clay which occurs in the Western region of Iraq was used as raw material to produce the LWA. Sodium silicate as liquid industrial waste material from glass plant was mixed with bentonite clay in mix proportion 1:1 by weight. The manufacturing method of the lightweight aggregate including, preparation and mixing of clay and sodium silicate, burning of the mixture in the furnace at the temperature between 750-800˚C for two hours, and finally gradually cooling process. The produced LWA was then crushed to small pieces then screened on standard sieve series and prepared with grading which conforms to the specifications of LWA. The maximum aggregate size used in this investigation is 10 mm. The chemical composition and the physical properties of the produced LWA are investigated. The results indicate that the specific gravity of the produced LWA is 1.5 with the density of 543kg/m3 and water absorption of 20.7% which is in conformity with the international standard of LWA. Many trail mixes were carried out in order to produce LWAC containing the artificial LWA produced in this research. The selected mix proportion is 1:1.5:2 (cement: sand: aggregate) by weight with water to cement ratio of 0.45. The experimental results show that LWAC has oven dry density of 1720 kg/m3, water absorption of 8.5%, the thermal conductivity of 0.723 W/m.K and compressive strength of 23 N/mm2. The SLWAC produced in this research can be used in the construction of different thermal insulated buildings and masonry units. It can be concluded that the SLWA produced in this study contributes to sustainable development by, using industrial waste materials, conserving energy, enhancing the thermal and structural efficiency of concrete.

Keywords: expanded clay, lightweight aggregate, structural lightweight aggregate concrete, sustainable

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Authors: Pomozova Kseniia, Gorlachev Gennadiy, Chernyaev Aleksandr, Golanov Andrey

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In clinical practice, and especially in stereotactic radiosurgery planning, the significance of diffusion-weighted imaging (DWI) is growing. This makes the existence of software capable of quickly processing and reliably visualizing diffusion data, as well as equipped with tools for their analysis in terms of different tasks. We are developing the «MRDiffusionImaging» software on the standard C++ language. The subject part has been moved to separate class libraries and can be used on various platforms. The user interface is Windows WPF (Windows Presentation Foundation), which is a technology for managing Windows applications with access to all components of the .NET 5 or .NET Framework platform ecosystem. One of the important features is the use of a declarative markup language, XAML (eXtensible Application Markup Language), with which you can conveniently create, initialize and set properties of objects with hierarchical relationships. Graphics are generated using the DirectX environment. The MRDiffusionImaging software package has been implemented for processing diffusion magnetic resonance imaging (dMRI), which allows loading and viewing images sorted by series. An algorithm for "masking" dMRI series based on T2-weighted images was developed using a deformable surface model to exclude tissues that are not related to the area of interest from the analysis. An algorithm of distortion correction using deformable image registration based on autocorrelation of local structure has been developed. Maximum voxel dimension was 1,03 ± 0,12 mm. In an elementary brain's volume, the diffusion tensor is geometrically interpreted using an ellipsoid, which is an isosurface of the probability density of a molecule's diffusion. For the first time, non-parametric intensity distributions, neighborhood correlations, and inhomogeneities are combined in one segmentation of white matter (WM), grey matter (GM), and cerebrospinal fluid (CSF) algorithm. A tool for calculating the coefficient of average diffusion and fractional anisotropy has been created, on the basis of which it is possible to build quantitative maps for solving various clinical problems. Functionality has been created that allows clustering and segmenting images to individualize the clinical volume of radiation treatment and further assess the response (Median Dice Score = 0.963 ± 0,137). White matter tracts of the brain were visualized using two algorithms: deterministic (fiber assignment by continuous tracking) and probabilistic using the Hough transform. The proposed algorithms test candidate curves in the voxel, assigning to each one a score computed from the diffusion data, and then selects the curves with the highest scores as the potential anatomical connections. White matter fibers were visualized using a Hough transform tractography algorithm. In the context of functional radiosurgery, it is possible to reduce the irradiation volume of the internal capsule receiving 12 Gy from 0,402 cc to 0,254 cc. The «MRDiffusionImaging» will improve the efficiency and accuracy of diagnostics and stereotactic radiotherapy of intracranial pathology. We develop software with integrated, intuitive support for processing, analysis, and inclusion in the process of radiotherapy planning and evaluating its results.

Keywords: diffusion-weighted imaging, medical imaging, stereotactic radiosurgery, tractography

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Authors: Andrea Leon, J. M. Florez, P. Vargas

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The effect of hydrogen adsorption on the magnetic properties of fcc Ni has been calculated using the linear-muffin-tin-orbital formalism and using the local-density approximation for the exchange y correlation. The calculations for the ground state show that the sequential addition of hydrogen atoms is found to monotonically reduce the total magnetic moment of the Ni fcc structure, as a result of changes in the exchange-splitting parameter and in the Fermi energy. In order to physically explain the effect of magnetization reduction as the Hydrogen concentration increases, we propose a Stoner impurity model to describe the influence of H impurity on the magnetic properties of Nickel.

Keywords: electronic structure, magnetic properties, Nickel hydride, stoner model

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Authors: Talya Alon-Altman

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This article examines communication between a human being and God in the Jewish philosophy of the German-Jewish philosopher, Hermann Cohen (1842–1918). It observes Cohen’s Jewish philosophy in light of communication theories, using the theoretical wealth of a relatively new discipline – communication, in order to deepen the philosophical and theological discussion. This new perspective enriches our view of philosophy, theology, and offers a fresh and novel approach to the philosophical and theological study of communication, and media theology in particular.

Keywords: hermann cohen, media theology, modern jewish philosophy, jewish philosphy, communication

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Authors: Della Saddam Housseyn

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Gold, the quintessential noble metal, is one of the most popular metals today, given its ever-increasing cost in the international market. The Amesmessa gold deposit is one of the gold-producing deposits. The first step in our job is to analyze the ore (considered rich ore). Mineralogical and chemical analysis has shown that the general constitution of the ore is quartz in addition to other phases such as Al2O3, Fe2O3, CaO, dolomite. The second step consists of all the leaching tests carried out in rolling bottles. These tests were carried out on 14 samples to determine the maximum recovery rate and the optimum consumption of reagent (NaCN and CaO). Tests carried out on a pulp density at 50% solid, 500 ppm cyanide concentration and particle size less than 0.6 mm at alkaline pH gave a recovery rate of 94.37%.

Keywords: cyanide, DRX, FX, gold, leaching, rate of recovery, SAA

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Authors: Valeria Minucciani, Maria Maddalena Margaria

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While mathematical tools that make digital architecture possible are very sophisticated and advanced, theoretical development of digital architecture (intended as a discipline that integrates or replaces the real architecture) is not. The fashion show, that involves interiors architecture, exhibit design and scenography, has been exploiting for ten years the opportunities offered by digital technologies. To gain greater visibility and to reach a wider audience, high-level experimentations have been performed. The aim of this paper is in investigating, through the analysis of some cases of virtual fashion shows, the 'architectural' impact of the virtual conception of interior space.

Keywords: digital interiors, exhibit, fashion catwalk, architectural theory

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Authors: Fazli Idris, Jihad Mohammad

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The study aims to determine the impact of technology and service operations flexibility, which is divided into external flexibility and internal robustness, on operations costs. A mediation model is proposed that links technology to operations costs via operation flexibility. Drawing on a sample of 475 of operations managers of various service sectors in Malaysia and South Africa, Structural Equation Modeling (SEM) was employed to test the relationship using Smart-PLS procedures. It was found that a significant relationship was established between technologies to operations costs via both operations flexibility dimensions. Theoretical and managerial implications are offered to explain the results.

Keywords: Operations flexibility, technology, costs, mediation

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Authors: Jiang-Bei Qin, Rui-Xia Miao, Wei Ren

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In this study, high crystalline gallium oxide microstructures (wires, belts, and sheets) were synthesized by catalyst-free thermal oxidation. Structural studies such as X-ray diffraction, Raman and transmission electron microscope (TEM) investigations on the microstructures showed monoclinic phase of gallium oxide and single crystalline structure. The scanning electron microscopy (SEM) observations revealed that a huge super microsheet even grows up to 450 µm in length and 206 µm in width. Gallium oxide microstructures exhibit high crystallinity along (002) and (401), respectively. The PL spectrum of these microstructures excites a blue light band centered at 441 and 489nm. The growth mechanism of gallium oxide microstructures is discussed. These gallium oxide microstructures have great potential in functional devices.

Keywords: catalyst-free, gallium oxide, microstructures, thermal oxide

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Authors: Soufiene Ilahi

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We have used Photothermal deflection spectroscopy PTD to investigate the impact of doping on electronics properties of bulk. Then, the extraction of these parameters is performed by fitting the theoretical curves to the experimental PTD ones. We have remarked that electron mobility in p type C-doped GaAs is about 300 cm2/V·s. Accordinagly, the diffusion length of minority carrier lifetime is equal to 5 (± 7%), 5 (± 4,4%) and 1.42 µm (± 7,2 %) for the Cr, C and Si doped GaAs respectively. Surface recombination velocity varies randomly that can be found around of 7942 m/s, 100 m/s and 153 m/s GaAs doped Si, Cr, C, respectively.

Keywords: nonradiative lifetime, mobility of minority carrier, diffusion length, surface and interface recombination in GaAs

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Authors: R. Horchani

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Optical pumping technique with laser fields combined with photo-association of ultra-cold atoms leads to control on demand the vibrational and/or the rotational population of molecules. Here, we review the basic concepts and main steps should be followed, including the excitation schemes and detection techniques we use to achieve the ro-vibrational cooling of Cs2 molecules. We also discuss the extension of this technique to other molecules. In addition, we present a theoretical model used to support the experiment. These simulations can be widely used for the preparation of various experiments since they allow the optimization of several important experimental parameters.

Keywords: cold molecule, photo-association, optical pumping, vibrational and rotational cooling

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Authors: Yawen Dai, Ping Cheng, Jian Ru Gong

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Photoelctrochemical (PEC) water splitting using semiconductors (SCs) provides a convenient way to convert sustainable but intermittent solar energy into clean hydrogen energy, and it has been regarded as one of most promising technology to solve the energy crisis and environmental pollution in modern society. However, the record energy conversion efficiency of a PEC cell (~3%) is still far lower than the commercialization requirement (~10%). The sluggish kinetics of oxygen evolution reaction (OER) half reaction on photoanodes is a significant limiting factor of the PEC device efficiency, and electrocatalysts (ECs) are always deposited on SCs to accelerate the hole injection for OER. However, an active EC cannot guarantee enhanced PEC performance, since the newly emerged SC-EC interface complicates the interfacial charge behavior. Herein, α-Fe2O3 photoanodes coated with Co3O4 and CoO ECs are taken as the model system to glean fundamental understanding on the EC-dependent interfacial charge behavior. Intensity modulated photocurrent spectroscopy and electrochemical impedance spectroscopy were used to investigate the competition between interfacial charge transfer and recombination, which was found to be dominated by the charge storage capacities of ECs. The combined results indicate that both ECs can store holes and increase the hole density on photoanode surface. It is like a double-edged sword that benefit the multi-hole participated OER, as well as aggravate the SC-EC interfacial charge recombination due to the Coulomb attraction, thus leading to a nonmonotonic PEC performance variation trend with the increasing surface hole density. Co3O4 has low hole storage capacity which brings limited interfacial charge recombination, and thus the increased surface holes can be efficiently utilized for OER to generate enhanced photocurrent. In contrast, CoO has overlarge hole storage capacity that causes severe interfacial charge recombination, which hinders hole transfer to electrolyte for OER. Therefore, the PEC performance of α-Fe2O3 is improved by Co3O4 but decreased by CoO despite the similar electrocatalytic activity of the two ECs. First-principle calculation was conducted to further reveal how the charge storage capacity depends on the EC’s intrinsic property, demonstrating that the larger hole storage capacity of CoO than that of Co3O4 is determined by their Co valence states and original Fermi levels. This study raises up a new strategy to manipulate interfacial charge behavior and the resultant PEC performance by the charge storage capacity of ECs, providing insightful guidance for the interface design in PEC devices.

Keywords: charge storage capacity, electrocatalyst, interfacial charge behavior, photoelectrochemistry, water-splitting

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Authors: Janusz K. Grabara, Bartłomiej Okwiet, Sebastian Kot

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The purpose of the article is presentation and analysis of the aspect of job security in small and medium-size enterprises in Poland with reference to other EU countries. We show the theoretical aspects of the risk with reference to managing small and medium enterprises, next risk management in small and medium enterprises in Poland, which were subjected to a detailed analysis. We show in detail the risk associated with the operation of the mentioned above companies, as well as analyses its levels on various stages and for different kinds of conducted activity.

Keywords: job safety, SME, work risk, risk management

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Authors: S. Sathiyamoorthi, P. Srinivasan, K. Suganya Devi

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Arylidene derivatives are the subclass of chalcone derivatives. Chalcone derivatives are studied widely for the past decade because of its nonlinearity. To seek new organic group of crystals which suit for fabrication of optical devices, three-member organic arylidene crystals were synthesized by using Claisen–Schmidt condensation reaction. Good quality crystals were grown by slow evaporation method. Functional groups were identified by FT-IR and FT-Raman spectrum. Optical transparency and optical band gap were determined by UV-Vis-IR studies. Thermal stability and melting point were calculated using TGA and DSC. Variation of dielectric loss and dielectric constant with frequency were calculated by dielectric measurement.

Keywords: DSC and TGA studies, nonlinear optic studies, Fourier Transform Infrared Spectroscopy, UV-vis-NIR spectra

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Authors: Hyeuk Ju Ko, Eui Ju Lee

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Many electronic devices are powered by various rechargeable batteries such as lithium-ion today, but occasionally the batteries undergo thermal runaway and cause fire, explosion, and other hazards. If a battery fire should occur in an electronic device of vehicle and aircraft cabin, it is important to quickly extinguish the fire and cool the batteries to minimize safety risks. Attempts to minimize these risks have been carried out by many researchers but the number of study on the successful extinguishment is limited. Because most rechargeable batteries are operated on the ion state with electron during charge and discharge of electricity, and the reaction of this electrolyte has a big difference with normal combustion. Here, we focused on the effect of ions on reaction stability and pollutant emissions during combustion process. The other importance for understanding ionized fuel combustion could be found in high efficient and environment-friendly combustion technologies, which are used to be operated an extreme condition and hence results in unintended flame instability such as extinction and oscillation. The use of electromagnetic energy and non-equilibrium plasma is one of the way to solve the problems, but the application has been still limited because of lack of excited ion effects in the combustion process. Therefore, the understanding of ion role during combustion might be promised to the energy safety society including the battery safety. In this study, the effects of an ionized fuel on the flame stability and pollutant emissions were experimentally investigated in the hydrocarbon jet diffusion flames. The burner used in this experiment consisted of 7.5 mm diameter tube for fuel and the gaseous fuels were ionized with the ionizer (SUNJE, SPN-11). Methane (99.9% purity) and propane (commercial grade) were used as a fuel and open ambient air was used as an oxidizer. As the performance of ionizer used in the experiment was evaluated at first, ion densities of both propane and methane increased linearly with volume flow rate but the ion density of propane is slightly higher than that of methane. The results show that the overall flame stability and shape such as flame length has no significant difference even in the higher ion concentration. However, the fuel ionization affects to the pollutant emissions such as NOx and soot. NOx and CO emissions measured in post flame region decreased with increasing fuel ionization, especially at high fuel velocity, i.e. high ion density. TGA analysis and morphology of soot by TEM indicates that the fuel ionization makes soot to be matured.

Keywords: battery fires, ionization, jet flames, stability, NOx and soot

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Authors: Apeng Dong, Shu Li, Wenguo Zhu, Ming Qi, Qiuyi Xu

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The primary objective of this paper is to focus on the elasticity properties of three-dimensional full five directional (3Df5d) braided composite. A large body of research has been focused on the 3D four directional (4d) and 3D five directional (5d) structure but not much research on the 3Df5d material. Generally, the influence of the yarn shape on mechanical properties of braided materials tends to be ignored, which makes results too ideal. Besides, with the improvement of the computational ability, people are accustomed to using computers to predict the material parameters, which fails to give an explicit and concise result facilitating production and application. Based on the traditional mechanics, this paper firstly deduced the functional relation between elasticity properties and braiding parameters. In addition, considering the actual shape of yarns after consolidation, the longitudinal modulus is modified and defined practically. Firstly, the analytic model is established based on the certain assumptions for the sake of clarity, this paper assumes that: A: the cross section of axial yarns is square; B: The cross section of braiding yarns is hexagonal; C: the characters of braiding yarns and axial yarns are the same; D: The angle between the structure boundary and the projection of braiding yarns in transverse plane is 45°; E: The filling factor ε of composite yarns is π/4; F: The deformation of unit cell is under constant strain condition. Then, the functional relation between material constants and braiding parameters is systematically deduced aimed at the yarn deformation mode. Finally, considering the actual shape of axial yarns after consolidation, the concept of technology factor is proposed and the longitudinal modulus of the material is modified based on the energy theory. In this paper, the analytic solution of material parameters is given for the first time, which provides a good reference for further research and application for 3Df5d materials. Although the analysis model is established based on certain assumptions, the analysis method is also applicable for other braided structures. Meanwhile, it is crucial that the cross section shape and straightness of axial yarns play dominant roles in the longitudinal elastic property. So in the braiding and solidifying process, the stability of the axial yarns should be guaranteed to increase the technology factor to reduce the dispersion of material parameters. Overall, the elastic properties of this materials are closely related to the braiding parameters and can be strongly designable, and although the longitudinal modulus of the material is greatly influenced by the technology factors, it can be defined to certain extent.

Keywords: analytic solution, braided composites, elasticity properties, technology factor

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Authors: Nigmet Koklu, Dundar Yener

Abstract:

Recently, distance education that make use of web technology is used widely all around the world to overcome geographical and time based problems in education. Graphics, animation and other auxiliary visual sources help student to understand the subjects easily. Especially some theoretical courses that are quite difficult to understand such as physics and chemistry require visual material for students to understand topics clearly. In this study, physics applications for laboratory of physics course were developed. All facilities of web-based educational technology were used for students in laboratory studies to avoid making mistakes and to learn better physics subjects.

Keywords: physics education, laboratory, web-based education, distance education

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Authors: Pranjali Sharma, Swati Neogi

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Composite pressure vessels are low weight structures mainly used in a variety of applications such as automobiles, aeronautics and chemical engineering. Fiber reinforced polymer (FRP) composite materials offer the simplicity of design and use, high fuel storage capacity, rapid refueling capability, excellent shelf life, minimal infrastructure impact, high safety due to the inherent strength of the pressure vessel, and little to no development risk. Apart from these preliminary merits, the subsidized weight of composite vessels over metallic cylinders act as the biggest asset to the automotive industry, increasing the fuel efficiency. The result is a lightweight, flexible, non-explosive, and non-fragmenting pressure vessel that can be tailor-made to attune with specific applications. The winding pattern of the composite over-wrap is a primary focus while designing a pressure vessel. The critical stresses in the system depend on the thickness, angle and sequence of the composite layers. The composite over-wrap is wound over a plastic liner, whose geometry can be varied for the ease of winding. In the present study, we aim to optimize the FRP vessel geometry that provides an ease in winding and also aids in weight reduction for enhancing the vessel performance. Finite element analysis is used to study the effect of dome geometry, yielding a design with maximum value of burst pressure and least value of vessel weight. The stress and strain analysis of different dome ends along with the cylindrical portion is carried out in ANSYS 19.2. The failure is predicted using different failure theories like Tsai-Wu theory, Tsai-Hill theory and Maximum stress theory. Corresponding to a given winding sequence, the optimum dome geometry is determined for a fixed internal pressure to identify the theoretical value of burst pressure. Finally, this geometry is used to decrease the number of layers to reach the set value of safety in accordance with the available safety standards. This results in decrease in the weight of the composite over-wrap and manufacturing cost of the pressure vessel. An improvement in the overall weight performance of the pressure vessel gives higher fuel efficiency for its use in automobile applications.

Keywords: Compressed Gas Storage, Dome geometry, Theoretical Analysis, Type-4 Composite Pressure Vessel, Improvement in Vessel Weight Performance

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Authors: Danna Jia, Bin Li

Abstract:

Background: Atopic dermatitis (AD) is a chronic and refractory inflammatory skin disease characterized by relapsing eczematous and pruritic skin lesions. The global prevalence of AD ranges from 1~ 20%, and its incidence rates are increasing. It affects individuals from infancy to adulthood, significantly impacting their daily lives and social activities. Despite its major health burden, the precise mechanisms underlying AD remain unknown. Understanding the genetic differences associated with AD is crucial for advancing diagnosis and targeted treatment development. This study aims to identify candidate genes of AD by using bioinformatics analysis. Methods: We conducted a comprehensive analysis of four pooled transcriptomic datasets (GSE16161, GSE32924, GSE130588, and GSE120721) obtained from the Gene Expression Omnibus (GEO) database. Differential gene expression analysis was performed using the R statistical language. The differentially expressed genes (DEGs) between AD patients and normal individuals were functionally analyzed using Gene Ontology (GO) and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment. Furthermore, a protein-protein interaction (PPI) network was constructed to identify candidate genes. Results: Among the patient-level gene expression datasets, we identified 114 shared DEGs, consisting of 53 upregulated genes and 61 downregulated genes. Functional analysis using GO and KEGG revealed that the DEGs were mainly associated with the negative regulation of transcription from RNA polymerase II promoter, membrane-related functions, protein binding, and the Human papillomavirus infection pathway. Through the PPI network analysis, we identified eight core genes: CD44, STAT1, HMMR, AURKA, MKI67, and SMARCA4. Conclusion: This study elucidates key genes associated with AD, providing potential targets for diagnosis and treatment. The identified genes have the potential to contribute to the understanding and management of AD. The bioinformatics analysis conducted in this study offers new insights and directions for further research on AD. Future studies can focus on validating the functional roles of these genes and exploring their therapeutic potential in AD. While these findings will require further verification as achieved with experiments involving in vivo and in vitro models, these results provided some initial insights into dysfunctional inflammatory and immune responses associated with AD. Such information offers the potential to develop novel therapeutic targets for use in preventing and treating AD.

Keywords: atopic dermatitis, bioinformatics, biomarkers, genes

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Authors: Ali Moafi, Kourosh Kalantarzadeh, Richard Kaner, Parviz Parvin, Ebrahim Asl Soleimani, Dougal McCulloch

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In-situ Raman spectroscopy of flexible graphene-oxide films examined upon exposure to hydrogen gas, air, and synthetic air. The changes in D and G peaks are attributed to defects responding to atomic hydrogen spilled over from the catalytic behavior of Pt nanoparticles distributed all over the film. High-resolution transmission electron microscopy images (HRTEM) as well as electron energy loss spectroscopy (EELS) were carried out to define the density of the samples.

Keywords: in situ Raman Spectroscopy, EELS, TEM, graphene oxide, graphene, atomic hydrogen

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Authors: Solopova Olga

Abstract:

The present paper briefly recalls theoretical preconditions for investigating cognitive-discursive models of future in political discourse. The author reviews theories and methods used for strengthening a future focus in this discourse working out two main tools – a model of future and a metaphorical scenario. The paper examines the implications of metaphorical analogies for modeling future in mass media. It argues that metaphor is not merely a rhetorical ornament in the political discourse of media regulation but a conceptual model that legislates and regulates our understanding of future.

Keywords: cognitive approach, future research, political discourse, model, scenario, metaphor

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Authors: Samaniego Campoverde José Enrique, Rosero Muñoz Jorge Enrique, Luzcando Narea Lorena Elizabeth

Abstract:

This paper presents a practical and theoretical model for the operation of the Tesla coil using digital signal processing. The research is based on the analysis of ten scientific papers exploring the development and operation of the Tesla coil. Starting from the Testa coil, several modifications were carried out on the Tesla coil, with the aim of amplifying the digital signal by making use of digital signal processing. To achieve this, an amplifier with a transistor and digital filters provided by MATLAB software were used, which were chosen according to the characteristics of the signals in question.

Keywords: tesla coil, digital signal process, equalizer, graphical environment

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