Search results for: zero-current transition

Authors: Harris Maduku, Irrshad Kaseeram

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The objective of this paper is to understand the factors behind the formalisation willingness of South African black owned SMMEs. Cross-sectional data were collected using a questionnaire from 390 informal businesses in Johannesburg and Pretoria using stratified random sampling and clustered sampling. This study employed a multinomial logistic regression to quantitatively understand what encourages informal SMMEs to be willing to mainstreaming their operations. We find government support, corruption, employment compensation, family labour, success perception, education status, age and financing as key drivers on willingness of SMMEs to formalize their operations. The findings of our study points to government departments to invest more on both financial and non-financial strategies like capacity building and business education on informal SMMEs to cultivate their willingness to mainstream.

Keywords: mainstreaming, transition, informal, willingness, multinomial logit

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Authors: H. Sezgin, O. B. Berkalp, R. Mishra, J. Militky

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In the last few decades, due to their advanced properties, there has been an increasing interest in hybrid composite materials. In this study, the effect of different stacking sequences of jute and carbon fabric plies on dynamic mechanical properties of composite laminates were investigated. Vacuum bagging system was used to fabricate the composite samples. Each composite laminate was reinforced with two plies of jute fabric and two plies of carbon fabric by varying the position of layers. Dynamic mechanical analyzer (DMA) was used to examine the dynamic mechanical properties of composite laminates with increasing temperature. Results showed that the composite sample, which has carbon fabric at the outer layers, has the highest storage and loss modulus. Besides, it was observed that glass transition temperature (T_g) of samples are close to each other and at about 75 °C.

Keywords: differential scanning calorimetry dynamic mechanical analysis, textile reinforced composites, thermogravimetric analysis

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Authors: Sari Aouatef, Larabi Amina

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First-principles calculations within density functional theory based are used to investigate the influence of doped rare earth elements on some properties of perovskite systems Dy₀.₀₆₂₅Y₀.₉₃₇₅FeO₃ and Dy₀.₁₂₅ Y₀.₈₇₅ FeO₃. The electronic and magnetic properties are studied by means of the full-potential linearized augmented plane wave method with Vasp code. The calculated densities of states presented in this work identify the semiconducting behavior for Dy₀.₁₂₅ Y₀.₈₇₅ FeO₃, and the semi-metallic behavior for Dy₀.₀₆₂₅Y₀.₉₃₇₅ FeO₃. Besides, to investigate magnetic properties of several compounds, four magnetic configurations are considered (ferromagnetic (FM), antiferromagnetic type A (A-AFM), antiferromagnetic type C (C-AFM) and antiferromagnetic type G (G-AFM). By doping the Dy element, the system shows different changes in the magnetic order and electronic structure. It is found that Dy₀.₀₆₂₅Y₀.₉₃₇₅ FeO₃ exhibits the strongest magnetic change corresponding to the transition to the ferromagnetic order with the largest magnetic moment of 4.997.

Keywords: DFT, Perovskites, multiferroic, magnetic properties

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Authors: Abouzar Kaboudian, Ravi Chaithanya Mysa, Boo Cheong Khoo, Rajeev Kumar Jaiman

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The vortex structures observed in the wake of a flexible cylinder can be significantly different from those of a traditional vibrating, spring mounted, rigid cylinder. These differences can significantly affect the VIV characteristics of the flow and subsequently the VIV response of the cylindrical structures. In this work, we present how the aspect ratio of a flexible cylinder can change the vortex structures in its wake. We will discuss different vortex dynamics which can be observed in the wake of the vibrating flexible cylinder, and how they can affect the vibrational response of the cylinder. Moreover, we will study the transition of these structures versus the aspect ratio of the flexible cylinder. We will discuss how these transitions affect the in-line and transverse forces on the structure. In the end, we will provide general guidelines on the minimum acceptable aspect ratio for the offshore riser studies which may have grave implications for future numerical and experimental works.

Keywords: aspect ratio, flexible cylinder, vortex-shedding, VIV

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Authors: Rama Bhargava

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In the current paper, numerical simulation has been performed for the two-dimensional time dependent Pennes’ heat transfer model which is solved for irregular diseased tumor cells. An elliptic cryoprobe of varying sizes is taken at the center of the computational domain in such a manner that the location of the probe is fixed throughout the computation. The phase transition occurs due to the effect of probe with infusion of different nanoparticles Au, Al₂O₃, Fe₃O₄. The cooling performance of these nanoparticles injected at very low temperature, has been studied by implementing a hybrid FEM/EFGM method in which the whole domain is decomposed into two subdomains. The results are shown in terms of temperature profile inside the computational domain. Rate of cooling is obtained for various nanoparticles and it is observed that infusion of Au nanoparticles is very much efficient in increasing the heating rate than other nanoparticles. Such numerical scheme has direct applications where the domain is irregular.

Keywords: cryosurgery, hybrid EFGM/FEM, nanoparticles, simulation

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Authors: S. Zhuiykov, Zh. Hai, H. Xu, C. Xue

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Unique and distinctive properties could be obtained on such two-dimensional (2D) semiconductor as tungsten trioxide (WO₃) when the reduction from multi-layer to one fundamental layer thickness takes place. This transition without damaging single-layer on a large spatial resolution remained elusive until the atomic layer deposition (ALD) technique was utilized. Here we report the ALD-enabled atomic-layer-precision development of a single layer WO₃ with thickness of 0.77±0.07 nm on a large spatial resolution by using (^tBuN)₂W(NMe₂)₂ as tungsten precursor and H₂O as oxygen precursor, without affecting the underlying SiO₂/Si substrate. Versatility of ALD is in tuning recipe in order to achieve the complete WO₃ with desired number of WO₃ layers including monolayer. Governed by self-limiting surface reactions, the ALD-enabled approach is versatile, scalable and applicable for a broader range of 2D semiconductors and various device applications.

Keywords: Atomic Layer Deposition (ALD), tungsten oxide, WO₃, two-dimensional semiconductors, single fundamental layer

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Authors: Anmari Viljamaa, Elina Varamäki

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In this study we compare the profiles of transitory hybrid entrepreneurs and persistent hybrid entrepreneurs to determine how they differ. Hybrid entrepreneurs (HEs) represent a significant share of entrepreneurial activity yet little is known about them. We define HEs as individuals who are active as entrepreneurs but do no support themselves primarily by their enterprise. Persistent HEs (PHEs) are not planning to transition to fulltime entrepreneurship whereas transitory HEs (THEs) consider it probable. Our results show that THEs and PHEs are quite similar in background. THEs are more interested in increasing their turnover than PHEs, as expected, but also emphasize self-fulfillment as a motive for entrepreneurship more than PHEs. The clearest differences between THEs and PHEs are found in their views on how well their immediate circle supports full-time entrepreneurship, and their views of their own entrepreneurial abilities and the market potential of their firm. Our results support earlier arguments that hybrids should be considered separately in research on entrepreneurial entry and self-employment.

Keywords: hybrid entrepreneurship, part-time entrepreneurship, self-employment, Theory of Planned Behavior

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Authors: B. Sudhakara Reddy

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In modern economy, energy is fundamental to virtually every product and service in use. It has been developed on the dependence of abundant and easy-to-transform polluting fossil fuels. On one hand, increase in population and income levels combined with increased per capita energy consumption requires energy production to keep pace with economic growth, and on the other, the impact of fossil fuel use on environmental degradation is enormous. The conflicting policy objectives of protecting the environment while increasing economic growth and employment has resulted in this paradox. Hence, it is important to decouple economic growth from environmental degeneration. Hence, the search for green energy involving affordable, low-carbon, and renewable energies has become global priority. This paper explores a transition to a sustainable energy system using the socio-economic-technical scenario method. This approach takes into account the multifaceted nature of transitions which not only require the development and use of new technologies, but also of changes in user behaviour, policy and regulation. The scenarios that are developed are: baseline business as usual (BAU) as well as green energy (GE). The baseline scenario assumes that the current trends (energy use, efficiency levels, etc.) will continue in future. India’s population is projected to grow by 23% during 2010 –2030, reaching 1.47 billion. The real GDP, as per the model, is projected to grow by 6.5% per year on average between 2010 and 2030 reaching US$5.1 trillion or $3,586 per capita (base year 2010). Due to increase in population and GDP, the primary energy demand will double in two decades reaching 1,397 MTOE in 2030 with the share of fossil fuels remaining around 80%. The increase in energy use corresponds to an increase in energy intensity (TOE/US $ of GDP) from 0.019 to 0.036. The carbon emissions are projected to increase by 2.5 times from 2010 reaching 3,440 million tonnes with per capita emissions of 2.2 tons/annum. However, the carbon intensity (tons per US$ of GDP) decreases from 0.96 to 0.67. As per GE scenario, energy use will reach 1079 MTOE by 2030, a saving of about 30% over BAU. The penetration rate of renewable energy resources will reduce the total primary energy demand by 23% under GE. The reduction in fossil fuel demand and focus on clean energy will reduce the energy intensity to 0.21 (TOE/US$ of GDP) and carbon intensity to 0.42 (ton/US$ of GDP) under the GE scenario. The study develops new ‘pathways out of poverty’ by creating more than 10 million jobs and thus raise the standard of living of low-income people. Our scenarios are, to a great extent, based on the existing technologies. The challenges to this path lie in socio-economic-political domains. However, to attain a green economy the appropriate policy package should be in place which will be critical in determining the kind of investments that will be needed and the incidence of costs and benefits. These results provide a basis for policy discussions on investments, policies and incentives to be put in place by national and local governments.

Keywords: energy, renewables, green technology, scenario

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Authors: L. Le Priol, A. Nesterenko, K. El Kirat, K. Saleh

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Introduction and objectives: Polyunsaturated fatty acids (PUFAs) omega-3 and omega-6 are widely recognized as being beneficial to the health and normal growth. Unfortunately, due to their highly unsaturated nature, these molecules are sensitive to oxidation and thermic degradation leading to the production of toxic compounds and unpleasant flavors and smells. Hence, it is necessary to find out a suitable way to protect them. Microencapsulation by spray-drying is a low-cost encapsulation technology and most commonly used in the food industry. Many compounds can be used as wall materials, but there is a growing interest in the use of biopolymers, such as proteins and polysaccharides, over the last years. The objective of this study is to increase the oxidative stability of sunflower oil by microencapsulation in plant protein matrices using spray-drying technique. Material and methods: Sunflower oil was used as a model substance for oxidable food oils. Proteins from brown rice, hemp, pea, soy and sunflower seeds were used as emulsifiers and microencapsulation wall materials. First, the proteins were solubilized in distilled water. Then, the emulsions were pre-homogenized using a high-speed homogenizer (Ultra-Turrax) and stabilized by using a high-pressure homogenizer (HHP). Drying of the emulsion was performed in a Mini Spray Dryer. The oxidative stability of the encapsulated oil was determined by performing accelerated oxidation tests with a Rancimat. The size of the microparticles was measured using a laser diffraction analyzer. The morphology of the spray-dried microparticles was acquired using environmental scanning microscopy. Results: Pure sunflower oil was used as a reference material. Its induction time was 9.5 ± 0.1 h. The microencapsulation of sunflower oil in pea and soy protein matrices significantly improved its oxidative stability with induction times of 21.3 ± 0.4 h and 12.5 ± 0.4 h respectively. The encapsulation with hemp proteins did not significantly change the oxidative stability of the encapsulated oil. Sunflower and brown rice proteins were ineffective materials for this application, with induction times of 7.2 ± 0.2 h and 7.0 ± 0.1 h respectively. The volume mean diameter of the microparticles formulated with soy and pea proteins were 8.9 ± 0.1 µm and 16.3 ± 1.2 µm respectively. The values for hemp, sunflower and brown rice proteins could not be obtained due to the agglomeration of the microparticles. ESEM images showed smooth and round microparticles with soy and pea proteins. The surfaces of the microparticles obtained with sunflower and hemp proteins were porous. The surface was rough when brown rice proteins were used as the encapsulating agent. Conclusion: Soy and pea proteins appeared to be efficient wall materials for the microencapsulation of sunflower oil by spray drying. These results were partly explained by the higher solubility of soy and pea proteins in water compared to hemp, sunflower, and brown rice proteins. Acknowledgment: This work has been performed, in partnership with the SAS PIVERT, within the frame of the French Institute for the Energy Transition (Institut pour la Transition Energétique (ITE)) P.I.V.E.R.T. (www.institut-pivert.com) selected as an Investments for the Future (Investissements d’Avenir). This work was supported, as part of the Investments for the Future, by the French Government under the reference ANR-001-01.

Keywords: biopolymer, edible oil, microencapsulation, oxidative stability, release, spray-drying

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Authors: Sameh M. Osman, El-Refaie Kenawy, Zeid A. Al-Othman, Mohamed H. El-Newehy, El-Saied A. Aly, Sherine N. Khattab, Ayman El-Faham

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Recently, there has been a huge interest in using cyanuric chloride in a wide range of functional group transformations, as Cyanuric chloride has temperature-dependent differential reactivity for displacement of chlorides with various nucleophiles In the present work, some copolymers based on s-triazine Unit were prepared by microwave-assisted synthesis. For comparison study, the copolymers were synthesized by the conventional method. Synthesized Copolymers were characterized by MP, IR, TGA, DSC and GPC. The result indicated that copolymers are thermally stable and in good in composition and yield. Further studies that involve the test for selected removal of transition elements such as Cu (II), Zn (II) and Mn (II). Moreover, the effects of the polymeric triazine derivatives containing different functional groups which expected to have a good thermal stability and char formation ability on thermal degradation and flame retardancy.

Keywords: flame retardants, heavy metals, microwave-assisted synthesis, s-triazine

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Authors: Khaled Alshammari

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Ciprofloxacin (CIP) is a common antibiotic drug used as a strudy electron donor that interacts with dynamic π -acceptors such as 2,3-dinitrosalsylic acid (HDNS) and Tetracyanoethylene (TCNE) for synthesizing a new model of charge transfer (CT) complexes. The synthesized complexes were identified using diverse analytical methods such as UV–vis spectra, photometric titration measurements, FT-IR, HNMR Spectroscopy, and thermogravimetric analysis techniques (TGA/DTA). The stoichiometries for all the formed complexes were found to be a 1:1 M ratio between the reactants. The characteristic spectroscopic properties such as transition dipole moment (µ), oscillator strength (f), formation constant (KCT), ionization potential (ID), standard free energy (∆G), and energy of interaction (ECT) for the CT-complexes were collected. The developed CT complexes were tested for their toxicity on main organs, antimicrobial activity, antioxidant activity, and biofilm formation.

Keywords: biological, biofilm, toxicity, thermal analysis, charge transfer, spectroscopy

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Authors: Salsabila Rizka Pratama

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In this day and age, delinquency has become common to young children, and it is a violation of the norms, and legal systems of a society that are carried out during adolescenceIt is the transition from childhood to adulthood. PerversionYouth from criminal law are a common problem among adolescents in homes, schools, and communities. Without proper treatment, delinquency can turn into a crime and is likely to send a child to prison. If dug deeper, the development of delinquency is strongly influenced by family and community life. Families play an important role in the prevention of delinquency. One way a family can help prevent delinquency is by using the proper upbringing. The upbringing that parents use affects children's behavior. Improper parenting can lead to delinquency. On the other hand, proper parenting will prevent delinquency. But delinquency is not influenced only by parental upbringing, the appearance of delinquency can be influenced by the environment, religion, economic factors, information technology factors.

Keywords: parenting, parents, juvenile delinquency, family, youth, crime, environment, religion, economy, information technology

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Authors: Jihye Jeon

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This paper analyzes the political and economic issues that people with disabilities face related to globalization; how people with disabilities have been adapting globalization and surviving under worldwide competition system. It explains that economic globalization exacerbates inequality and deprivation of people with disabilities. The rising tide of neo-liberal welfare policies emphasized efficiency, downsized social expenditure for people with disabilities, excluded people with disabilities against labor market, and shifted them from welfare system to nothing. However, there have been people with disabilities' political responses to globalization, which are characterized by a global network of people with disabilities as well as participation to global governance. Their resistance can be seen as an attempt to tackle the problems that economic globalization has produced. It is necessary paradigm shift of disability policy from dependency represented by disability benefits to independency represented by labor market policies for people with disabilities.

Keywords: economic globalization, people with disability, deprivation, welfare cut, disability right movement, resistance

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Authors: Etienne Gatera

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Many studies have been conducted on SDT. Most of them focus on developed countries because of influencing factors such as; education, health, labor force, female labor force participation, industrialization, urbanization and migration. However, this thesis project paper aims to assess the impact of the total fertility rate (TFR) on the trends of the SDR in Rwanda. We will mainly be based in Rwanda after the 1994 genocide. Rwanda is located in East Africa, with approximately 13 million inhabitants. Thus, after the 1994 Tutsi genocide. The population growth rate exploded out of control with 6.17 children per woman in 1995. However, it's declined to 4.2 in 2014-2015 and declining to 4.1% in 2019-2020. Respectively with 3.4 children per woman in urban areas and 4.3 in rural areas. According to the National Institute of Statistics of Rwanda. Rwanda's population is expected to continue to grow for the rest of the century and reach 33.35 million people in 2099, with 2.1 children per woman in 2050. However, this project document aims to demonstrate the impact of the TFR on SDT trends in Rwanda. Thus, the decline in the TFR in Rwanda began with the introduction of family planning practices, which now account for 47.5% in 2019. Childbearing with three children for rural women compared to two children in the city, the increase in Divorce and separation caused by the behavior called "Kuza n'ijoro" or "coming at night" similar to cohabitation in developed countries. The decline in remarriage is caused by single mothers behavior who prefer to raise their children rather than remarry. Therefore, the study used probability sampling with (Stratified random sampling) method with a survey questionnaire of 1067 respondents in the 5 Districts (3 in rural areas and two in urban areas), with the target group of women Age between 15-49. The study demonstrated that the age of marriage in rural areas is two years higher than in urban areas. Divorce is more common in urban is with 6.2% with 5.2% in rural areas. However, separation is more common in rural areas than in urban areas, with a lower rate of 3%, due to the higher system called "Kuza n'ijoro" or "come at night", similar to cohabitation in developed countries. The study revealed that more than 85% of divorced people prefer to remain single, which confirms the low remarriage rate. Childbearing has started to decrease, especially for young singles in urban areas, due to the economic situation, with national statistics showing that unemployment in the youth community is still 16% higher. Therefore, the study concluded by confirming the hypothesis based on the results of the TFR indicators such as marriage, remarriage, divorce, separation, divorce, Kuza n'ijoro, childbearing] and abortion. The study consists of four sections, an introduction and background, a review of the literature, a description of the data and methodology, an analysis of the data, discussion results and a conclusion.

Keywords: Kuza n'ijoro, Rwanda, second demographic transition (SDT), total fertility rate (TFR)

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Authors: Mounir Gaci, Salim Meziani, Atmane Fouathia

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The purpose of the present paper is to model the behavior of metal alloy, type TRIP steel (Transformation Induced Plasticity), during solid/solid phase transition. A two-dimensional micromechanical model is implemented in finite element software (ZEBULON) to simulate the martensitic transformation in Fe-Ni-C steel grain under mechanical tensile stress of 250 MPa. The effects of non-uniform grain boundary and the criterion of mechanical shear load on the transformation and on the TRIP value during martensitic transformation are studied. The suggested mechanical criterion is favourable to the influence of the shear phenomenon on the progression of the martensitic transformation (Magee’s mechanism). The obtained results are in satisfactory agreement with experimental ones and show the influence of the grain boundary shape and the chosen mechanical criterion (SMF) on the transformation parameters.

Keywords: martensitic transformation, non-uniform Grain Boundary, TRIP, shear Mechanical force (SMF)

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Authors: Quentin C.P. Bourgogne, Vanessa Bouchart, Pierre Chevrier, Emmanuel Dattoli

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This study presents an experimental and theoretical work conducted on a PolyPhenylene Sulfide reinforced with 40%wt of short glass fibers (PPS GF40) and its matrix. Thermoplastics are widely used in the automotive industry to lightweight automotive parts. The replacement of metallic parts by thermoplastics is reaching under-the-hood parts, near the engine. In this area, the parts are subjected to high temperatures and are immersed in cooling liquid. This liquid is composed of water and glycol and can affect the mechanical properties of the composite. The aim of this work was thus to quantify the evolution of mechanical properties of the thermoplastic composite, as a function of temperature and liquid aging effects, in order to develop a reliable design of parts. An experimental campaign in the tensile mode was carried out at different temperatures and for various glycol proportions in the cooling liquid, for monotonic and cyclic loadings on a neat and a reinforced PPS. The results of these tests allowed to highlight some of the main physical phenomena occurring during these solicitations under tough hydro-thermal conditions. Indeed, the performed tests showed that temperature and liquid cooling aging can affect the mechanical behavior of the material in several ways. The more the cooling liquid contains water, the more the mechanical behavior is affected. It was observed that PPS showed a higher sensitivity to absorption than to chemical aggressiveness of the cooling liquid, explaining this dominant sensitivity. Two kinds of behaviors were noted: an elasto-plastic type under the glass transition temperature and a visco-pseudo-plastic one above it. It was also shown that viscosity is the leading phenomenon above the glass transition temperature for the PPS and could also be important under this temperature, mostly under cyclic conditions and when the stress rate is low. Finally, it was observed that soliciting this composite at high temperatures is decreasing the advantages of the presence of fibers. A new phenomenological model was then built to take into account these experimental observations. This new model allowed the prediction of the evolution of mechanical properties as a function of the loading environment, with a reduced number of parameters compared to precedent studies. It was also shown that the presented approach enables the description and the prediction of the mechanical response with very good accuracy (2% of average error at worst), over a wide range of hydrothermal conditions. A temperature-humidity equivalence principle was underlined for the PPS, allowing the consideration of aging effects within the proposed model. Then, a limit of improvement of the reachable accuracy was determinate for all models using this set of data by the application of an artificial intelligence-based model allowing a comparison between artificial intelligence-based models and phenomenological based ones.

Keywords: aging, analytical modeling, mechanical testing, polymer matrix composites, sequential model, thermomechanical

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Authors: Abdalla Ahmad Obeidat

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Developing efficient hydrogen storage materials is critical to advancing clean energy technologies, particularly for applications in fuel cells and renewable energy systems. This study explores materials for hydrogen storage through Density Functional Theory (DFT) calculations, addressing one of the most significant challenges in sustainable energy: the safe and efficient storage and release of hydrogen. Our research provides an in-depth analysis of various candidate compounds' structural and electronic properties, aiming to identify materials with enhanced hydrogen storage capacities. By investigating adsorption mechanisms and optimizing key material properties, we aim to contribute to developing high-performance hydrogen storage solutions. The findings from this work have the potential to impact the field of hydrogen fuel technology significantly, offering insights and advancements that support the transition to sustainable energy systems.

Keywords: hydrogen storage, density functional theory, electronic, thermal stability

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Authors: Elham Zamiri

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In this research, we have focused on numeral simulation of a fuel rod in order to examine distribution of heat temperature in components of fuel rod by Fluent software by providing steady state, single phase fluid flow, frequency heat flux in a fuel rod in nuclear reactor to numeral simulation. Results of examining different layers of a fuel rod consist of fuel layer, gap, pod, and fluid cooling flow, also examining thermal properties and fluids such as heat transition rate and pressure drop. The obtained results through analytical method and results of other sources have been compared and have appropriate correspondence. Results show that using heavy water as cooling fluid along with few layers of gas and pod have the ability of reducing the temperature from above 300 ^◦C to 70 ^◦C. This investigation is developable for any geometry and material used in the nuclear reactor.

Keywords: nuclear fuel fission, numberal simulation, fuel rod, reactor, Fluent software

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Authors: Sangil Han, In Su Kim

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Transition-metal-catalyzed C–H bond activation and its subsequent functionalization has been one of the most attractive topics in organic synthesis because of its remarkable potential for atom economy and environmental sustainability. In this addition, a variety of C(sp2)–H functionalization has been developed under metal catalysis in the past decade. Recently, much attention has been moved towards the C(sp3)–H functionalization events, which continue to be a challenging issue. In this area, directing group assisted sp3 C–H functionalization has been explored by use of amides, carboxylic acids, oximes, N-heterocycles, and etc. In particular, 8-methylquinolines have been found as good substrates for sp3 C–H functionalization due to its ability to form cyclometalated complexes. Succinimides have been recognized as privileged structural cores found in a number of bioactive natural products, pharmaceuticals, and functional materials. Furthermore, the reduced derivatives such as pyrrolidines and γ-lactams have been also found in a large number of pharmaceutical relevant molecules, thus making them one of the most important and promising compounds. We herein describe the first C(sp3)–H activation of 8-methylquinolines and subsequent functionalization with maleimides to afford various succinimide derivatives.

Keywords: C(sp3)–H activation, 8-methylquinolines, maleimides, succinimides

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Authors: Karim Hrratha, Khaled Essalahb, Christophe Morellc, Henry Chermettec, Salima Boughdiria

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Among the carbon-carbon bond formation types, allylation of active methylene compounds with cyclic Baylis-Hillman (BH) alcohols is a reliable and widely used method. This reaction is a very attractive tool in organic synthesis of biological and biodiesel compounds. Thus, in view of an insistent and peremptory request for an efficient and straightly method for synthesizing the desired product, a thorough analysis of various aspects of the reaction processes is an important task. The product afforded by the reaction of active methylene with BH alcohols depends largely on the experimental conditions, notably on the catalyst properties. All experiments reported that catalysis is needed for this reaction type because of the poor ability of alcohol hydroxyl group to be as a suitable leaving group. Within the catalysts, several transition- metal based have been used such as palladium in the presence of acid or base and have been considered as reliable methods. Furthemore, acid catalysts such as BF3.OEt2, BiX3 (X= Cl, Br, I, (OTf)3), InCl3, Yb(OTf)3, FeCl3, p-TsOH and H-montmorillonite have been employed to activate the C-C bond formation through the alkylation of active methylene compounds. Interestingly a report of a smoothly process for the ability of 4-imethyaminopyridine(DMAP) to catalyze the allylation reaction of active methylene compounds with cyclic Baylis-Hillman (BH) alcohol appeared recently. However, the reaction mechanism remains ambiguous, since the C- allylation process leads to an unexpected product (noted P1), corresponding to a direct allylation instead of conjugate allylation, which involves the most electrophilic center according to the electron withdrawing group CO effect. The main objective of the present theoretical study is to better understand the role of the DMAP catalytic activity as well as the process leading to the end- product (P1) for the catalytic reaction of a cyclic BH alcohol with active methylene compounds. For that purpose, we have carried out computations of a set of active methylene compounds varying by R1 and R2 toward the same alcohol, and we have attempted to rationalize the mechanisms thanks to the acid–base approach, and conceptual DFT tools such as chemical potential, hardness, Fukui functions, electrophilicity index and dual descriptor, as these approaches have shown a good prediction of reactions products.The present work is then organized as follows: In a first part some computational details will be given, introducing the reactivity indexes used in the present work, then Section 3 is dedicated to the discussion of the prediction of the selectivity and regioselectivity. The paper ends with some concluding remarks. In this work, we have shown, through DFT method at the B3LYP/6-311++G(d,p) level of theory that: The allylation of active methylene compounds with cyclic BH alcohol is governed by orbital control character. Hence the end- product denoted P1 is generated by direct allylation.

Keywords: DFT calculation, gas phase pKa, theoretical mechanism, orbital control, charge control, Fukui function, transition state

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Authors: Jae-Joon Song, Sang-Yoon Lee, Bong-Chul Joo

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The girder-type precast modular bridge has been developed as a simply supported bridge. The girder-type precast modular bridge could be applied to the multi-span bridges through the continuity method. The continuity of the girder-type precast modular bridge is achieved by using the link slab which is easy to construction and appropriate to the rapid construction. In this study, the link slab with transition zone was used for the continuity of the precast modular bridges, and the construction detail of link slab was modified. In addition, the modified iterative design method of link slab was proposed in this study. To verify the proposed design method, the fatigue test using the mock-up specimen was conducted with cycle loading condition up to two million cycles.

Keywords: precast, modular bridge, link slab

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Authors: Dominik Halstrup, Marlene Schriever

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The industry, as one of the main energy consumer, is of critical importance along the way of transforming the energy system to Renewable Energies. The distributed character of the Energy Transition demands for further flexibility being introduced to the grid. In order to shed further light on the acceptance of Electric Energy Storage (ESS) from an industrial point of view, this study therefore examines the German manufacturing industry. The analysis in this paper uses data composed of a survey amongst 101 manufacturing companies in Germany. Being part of a two-stage research design, both qualitative and quantitative data was collected. Based on a literature review an acceptance concept was developed in the paper and four user-types identified: (Dedicated) User, Impeded User, Forced User and (Dedicated) Non-User and incorporated in the questionnaire. Both descriptive and bivariate analysis is deployed to identify the level of acceptance in the different organizations. After a factor analysis has been conducted, variables were grouped to form independent acceptance factors. Out of the 22 organizations that do show a positive attitude towards ESS, 5 have already implemented ESS and show a positive attitude towards ESS. They can be therefore considered ‘Dedicated Users’. The remaining 17 organizations have a positive attitude but have not implemented ESS yet. The results suggest that profitability plays an important role as well as load-management systems that are already in place. Surprisingly, 2 organizations have implemented ESS even though they have a negative attitude towards it. This is an example for a ‘Forced User’ where reasons of overriding importance or supporters with overriding authority might have forced the company to implement ESS. By far the biggest subset of the sample shows (critical) distance and can therefore be considered ‘(Dedicated) Non-Users’. The results indicate that the majority of the respondents have not thought ESS in their own organization through yet. For the majority of the sample one can therefore not speak of critical distance but rather a distance due to insufficient information and the perceived unprofitability. This paper identifies the relative state of acceptance of ESS in the manufacturing industry as well as current reasons for hindrance and perspectives for future growth of ESS in an industrial setting from a policy level. The interest that is currently generated by the media could be channeled and taken into a more substantial and individual discussion about ESS in an industrial setting. If the current perception of profitability could be addressed and communicated accordingly, ESS and their use in for instance cooperative business models could become a topic for more organizations in Germany and other parts of the world. As price mechanisms tend to favor existing technologies, policy makers need to further access the use of ESS and acknowledge the positive effects when integrated in an energy system. The subfields of generation, transmission and distribution become increasingly intertwined. New technologies and business models, such as ESS or cooperative arrangements entering the market, increase the number of stakeholders. Organizations need to find their place within this array of stakeholders.

Keywords: acceptance, energy storage solutions, German energy transition, manufacturing industry

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Authors: V. Paployan, K. Madoyan, A. Melikyan, H. Minassian

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Resonant two-photon ionization (TPI) is a valuable technique for the study of clusters due to its ultrahigh sensitivity. The comparison of the observed TPI spectra with results of calculations allows to deduce important information on the shape, rotational and vibrational temperatures of the clusters with high accuracy. In this communication we calculate the TPI cross-section for pump-probe scheme in Ag neutral cluster. The pump photon energy is chosen to be close to the surface plasmon (SP) energy of cluster in dielectric media. Since the interband transition energy in Ag exceeds the SP resonance energy, the main contribution into the TPI comes from the latter. The calculations are performed by separating the coordinates of electrons corresponding to the collective oscillations and the individual motion that allows to take into account the resonance contribution of excited SP oscillations. It is shown that the ionization cross section increases by two orders of magnitude if the energy of the pump photon matches the surface plasmon energy in the cluster.

Keywords: resonance enhancement, silver clusters, surface plasmon, two-photon ionization

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Authors: I. Kruashvili, I. Inashvili, K. Bziava, M. Lomishvili

Abstract:

Seepage capillary anomalies in the active layer of soil, related to the soil water movement, often cause variation of soil hydrophysical properties and become one of the main objectives of the hydroecology. It is necessary to mention that all existing equations for computing the seepage flow particularly from soil channels, through dams, bulkheads, and foundations of hydraulic engineering structures are preferable based on the linear seepage law. Regarding the existing beliefs, anomalous seepage is based on postulates according to which the fluid in free volume is characterized by resistance against shear deformation and is presented in the form of initial gradient. According to the above-mentioned information, we have determined: Equation to calculate seepage coefficient when the velocity of transition flow is equal to seepage flow velocity; by means of power function, equations for the calculation of average and maximum velocities of seepage flow have been derived; taking into consideration the fluid continuity condition, average velocity for calculation of average velocity in capillary tube has been received.

Keywords: seepage, soil, velocity, water

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Authors: G. Agrawal, R. Agrawal, A. Pich

Abstract:

The pH and temperature responsive biodegradable poly(N-vinylcaprolactam) (PVCL) based microgels functionalized with itaconic acid (IA) units are prepared via precipitation polymerization for drug delivery applications. Volume phase transition temperature (VPTT) of the obtained microgels is influenced by both IA content and pH of the surrounding medium. The developed microgels can be degraded under acidic conditions due to the presence of hydrazone based crosslinking points inside the microgel network. The microgel particles are able to effectively encapsulate doxorubicin (DOX) drug and exhibit low drug leakage under physiological conditions. At low pH, rapid DOX release is observed due to the changes in electrostatic interactions along with the degradation of particles. The results of the cytotoxicity assay further display that the DOX-loaded microgel exhibit effective antitumor activity against HeLa cells demonstrating their great potential as drug delivery carriers for cancer therapy.

Keywords: degradable, drug delivery, hydrazone linkages, microgels, responsive

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Authors: Yi-Wei Huang

Abstract:

Eileen Chang is a well-known writer of modern Chinese literature. She is also a translator that publishes her self-translation The Rice Sprout Song. The purpose of the study is to identify the style of Eileen Chang’s self-translations by corpora, especially in the case of The Rice Sprout Song. The Rice Sprout Song is first written in English and then translated into Chinese by the author herself. The procedure of translation is complicated due to the bilingual transition by the same person. Therefore, the aim of the study is to identify Eileen Chang’s style on her self-translation by comparing her works The Old Man and the Sea, The Rice Sprout Song, and The Rouge of The North. The study uses computer-aided software like AntConc, Notepad++, StanfordCoreNLP, and Python to analyze the style of the works, especially focuses on reduplications and the composition of the sentences. Reduplications are commonly seen in Eileen Chang’s works, and they often appear with colors or onomatopoeia. With these criteria, the style of self-translating can be detected and analyzed.

Keywords: corpora, Eileen Chang, reduplications, self-translation

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Authors: M. Dehestani, F. Kamali, M. Klantari Pour, L. Zeidabadi-Nejad

Abstract:

Chemical bonding between polyethylene glycol (PEG) with pharmaceutical proteins called pegylation is one of the most effective methods of improving the pharmacological properties. The covalent attachment of polyethylene glycol (PEG) to proteins will increase their pharmacologic properties. For the formation of a combination of pegylated protein should first be activated PEG and connected to the protein. Interferons(IFNs) are a family of cytokines which show antiviral effects in front of the biological and are responsible for setting safety system. In this study, the nature and properties of the interaction between active positions of IFNs and polyethylene glycol have been investigated using molecular dynamics simulation. The main aspect of this theoretical work focuses on the achievement of valuable data on the reaction pathways of PEG-IFNs and the transition state energy. Our results provide a new perspective on the interactions, chemical properties and reaction pathways between IFNs and PEG.

Keywords: interaction, interferons, molecular dynamics simulation, polyethylene glycol

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Authors: B. Mahfoud, R. Harouz

Abstract:

The present work examine numerically the effect of axial magnetic field on mixed convection through a cylindrical cavity, filled with a liquid metal and having a rotating top and bottom disks. Effects of Richardson number (Ri = 0, 0.5, 1, and 2) and Hartman number (Ha = 0, 5, 10, and 20) on temperature and flow fields were analyzed. The basic state of this system is steady and axisymmetric, when the counter-rotation is sufficiently large, producing a free shear layer. This shear layer is unstable and different complex flows appear successively: steady states with an azimuthal wavenumber of 1; travelling waves and steady states with an azimuthal wavenumber of 2. Mixed modes and azimuthal wavenumber of 3 are also found with increasing Hartmann number. The stability diagram (Recr-Ha) corresponding to the axisymmetric-three-dimensional transition for increasing values of the axial magnetic field is obtained.

Keywords: axisymmetric, counter-rotating, instabilities, magnetohydrodynamic, magnetic field, wavenumber

Procedia PDF Downloads 549

Authors: Nazira Kakulia, Tsotne Zhghenti

Abstract:

The institutional development is one of the actual topics in economics science. New trends and directions of institutional development mostly depend on its structure and framework. Transformation of institutions is an important problem for every economy, especially for developing countries. The first research goal is to determine the importance and interactions between different institutions in Georgia. Using World Governance Indicators and Economic Freedom indexes it can be calculated the size for each institutional group. The second aim of this research is to evaluate Georgian institutional backwardness in comparison to other post-communist economies. We use statistical and econometric methods to evaluate the difference between the levels of institutional development in Georgia and in leading post-communist economies. Within the scope of this research, major findings are coefficients which are an assessment of their deviation (i.e. lag) of institutional indicators between Georgia and leading post-communist country which should be compared. The last part of the article includes analysis around the selected coefficients.

Keywords: post-communist transition, institutions, economic growth, institutional development

Procedia PDF Downloads 190

Authors: M. Fozan Ur Rab, Mahrukh, M. Alam, N. Sheikh

Abstract:

The purpose of this study is to analyze various high lift low Reynolds number airfoils using two-dimensional Computational Fluid Dynamics (CFD) code in the isolated flow field and select optimum airfoil to suit the motorsports application. The airfoil is selected after comparing the stall behavior, transition location, pressure recovery, pressure distribution and boundary layer characteristics of various airfoils. The prime consideration while selecting airfoil is highest Cl while achieving the sustainable performance over a range of Reynolds numbers encountered on the race track. The increase in Cl is always accompanied by the increase in Cd but this must be compromised since the main goal is to increase an aerodynamic grip. It is always desirable to increase the down-force in Formula One (F1)/Formula Student (FS) to gain reduction in lap time. This paper establishes the criteria for selection of high lift low Reynolds number airfoil while considering various parameters which affect the performance of airfoils.

Keywords: aerodynamics, airfoil, downforce, formula student, lap time

Procedia PDF Downloads 288