Search results for: electrostatic interaction energy

Authors: Javier Delgado-Gonzaga, Wilfrido Rivera, David Juárez-Romero

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Cooling and water purification are processes that have contributed to the economic and social development of the modern world. However, these processes require a significant amount of energy globally. Nowadays, absorption heat pumps have been studied with great interest since they are capable of producing cooling and/or purifying water from low-temperature energy sources such as industrial waste heat or renewable energy. In addition, absorption heat pumps require negligible amounts of electricity for their operation and generally use working fluids that do not represent a risk to the environment. The objective of this work is to evaluate a system that integrates an absorption heat transformer and an absorption cooling system to produce fresh water and cooling from a low-temperature heat source. Both cycles operate with the working pair LiBr-H2O. The integration is possible through the interaction of the LiBr-H2O solution streams between both cycles and also by recycling heat from the absorption heat transformer to the absorption cooling system. Mathematical models were developed to compare the performance of four different configurations. The results showed that the configuration in which the hottest streams of LiBr-H2O solution preheated the coldest streams in the economizers of both cycles was one that achieved the best performance. The interaction of the solution currents and the heat recycling analyzed in this work serves as a record of the possibilities of integration between absorption cycles for cogeneration.

Keywords: absorption heat transformer, absorption cooling system, water desalination, integrated system

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Authors: Mahani Razali, Nordin Mamat

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The purpose of the study is to explore how computer technology is integrated into pre-school activities and its relationship with children’s social interaction behaviour in pre-school classroom. The major question of interest in the present study is to investigate the social interaction behaviour of children when using computers in the Malaysian pre-school classroom. This research is based on three main objectives which are to identify children`s social interaction during computer play activities, teacher’s role and parent’s participation to develop children`s social interaction. This qualitative study was carried out among 25 pre-school children, three teachers and three parents as the research sample. On the other hand, parent’s support was obtained from their discussions, supervisions and communication at home. The data collection procedures involved structured observation which was to identify social interaction behaviour among pre-school children through computer play activities; as for semi-structured interviews, it was done to study the perception of the teachers and parents on the acquired social interaction behaviour among the children. Besides, documentation analysis method was used as to triangulate acquired information with observations and interviews. In this study, the qualitative data analysis was tabulated in descriptive manner with frequency and percentage format. This study primarily focused on social interaction behaviour elements among the pre-school children. Findings revealed that the children showed positive outcomes on the social interaction behaviour during their computer play. This research summarizes that teacher’s role and parent’s support can improve children`s social interaction behaviour through computer play activities. As a whole, this research highlighted the significance of computer play activities as to stimulate social interaction behavior among the pre-school children.

Keywords: early childhood, emotional development, parent support, play

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Authors: Jia-Chao Wang

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A model of the universe without invoking space expansion is proposed to explain the observed redshift-distance relation and the cosmic microwave background radiation (CMB). The main hypothesized feature of the model is that photons traveling in space interact with the CMB photon gas. This interaction causes the photons to gradually lose energy through dissipation and, therefore, experience redshift. The interaction also causes some of the photons to be scattered off their track toward an observer and, therefore, results in beam intensity attenuation. As observed, the CMB exists everywhere in space and its photon density is relatively high (about 410 per cm³). The small average energy of the CMB photons (about 6.3×10⁻⁴ eV) can reduce the energies of traveling photons gradually and will not alter their momenta drastically as in, for example, Compton scattering, to totally blur the images of distant objects. An object moving through a thermalized photon gas, such as the CMB, experiences a drag. The cause is that the object sees a blue shifted photon gas along the direction of motion and a redshifted one in the opposite direction. An example of this effect can be the observed CMB dipole: The earth travels at about 368 km/s (600 km/s) relative to the CMB. In the all-sky map from the COBE satellite, radiation in the Earth's direction of motion appears 0.35 mK hotter than the average temperature, 2.725 K, while radiation on the opposite side of the sky is 0.35 mK colder. The pressure of a thermalized photon gas is given by Pγ = Eγ/3 = αT⁴/3, where Eγ is the energy density of the photon gas and α is the Stefan-Boltzmann constant. The observed CMB dipole, therefore, implies a pressure difference between the two sides of the earth and results in a CMB drag on the earth. By plugging in suitable estimates of quantities involved, such as the cross section of the earth and the temperatures on the two sides, this drag can be estimated to be tiny. But for a photon traveling at the speed of light, 300,000 km/s, the drag can be significant. In the present model, for the dissipation part, it is assumed that a photon traveling from a distant object toward an observer has an effective interaction cross section pushing against the pressure of the CMB photon gas. For the attenuation part, the coefficient of the typical attenuation equation is used as a parameter. The values of these two parameters are determined by fitting the 748 µ vs. z data points compiled from 643 supernova and 105 γ-ray burst observations with z values up to 8.1. The fit is as good as that obtained from the lambda cold dark matter (ΛCDM) model using online cosmological calculators and Planck 2015 results. The model can be used to interpret Hubble's constant, Olbers' paradox, the origin and blackbody nature of the CMB radiation, the broadening of supernova light curves, and the size of the observable universe.

Keywords: CMB as the lowest energy state, model of the universe, origin of CMB in a static universe, photon-CMB photon gas interaction

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Authors: Hassen M. Ouakad

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In this paper, the influence of van der Waals, as well as electrostatic forces on the structural behavior of MEMS and NEMS actuators, has been investigated using of a Euler-Bernoulli beam continuous model. In the proposed nonlinear model, the electrostatic fringing-fields and the mid-plane stretching (geometric nonlinearity) effects have been considered. The nonlinear integro-differential equation governing the static structural behavior of the actuator has been derived. An original Galerkin-based reduced-order model has been developed to avoid problems arising from the nonlinearities in the differential equation. The obtained reduced-order model equations have been solved numerically using the Newton-Raphson method. The basic design parameters such as the pull-in parameters (voltage and deflection at pull-in), as well as the detachment length due to the van der Waals force of some investigated micro- and nano-actuators have been calculated. The obtained numerical results have been compared with some other existing methods (finite-elements method and finite-difference method) and the comparison showed good agreement among all assumed numerical techniques.

Keywords: MEMS, NEMS, fringing-fields, mid-plane stretching, Galerkin

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Authors: Aigerim Uyzbayeva, Valeriya Tyo, Nurlan Ibrayev

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Kazakhstan is currently one of the dynamically developing states in its region. The stable growth in all sectors of the economy leads to a corresponding increase in energy consumption. Thus, country consumes a significant amount of energy due to the high level of industralisation and the presence of energy-intensive manufacturing such as mining and metallurgy which in turn leads to low energy efficiency. With allowance for this the Government has set several priorities to adopt a transition of Republic of Kazakhstan to a “green economy”. This article provides an overview of Kazakhstan’s energy efficiency situation in for the period of 1991-2014. First, the dynamics of production and consumption of conventional energy resources are given. Second, the potential of renewable energy sources is summarised, followed by the description of GHG emissions trends in the country. Third, Kazakhstan’ national initiatives, policies and locally implemented projects in the field of energy efficiency are described.

Keywords: energy efficiency in Kazakhstan, greenhouse gases, renewable energy, sustainable development

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Authors: Fahim Ullah, Muhammad Usman

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Energy consumption and environmental sustainability are hard challenges of 21st century. Energy richness increases environmental pollution while energy poverty hinders economic growth. Considering these two aspects, present study calculates energy deficiency and examines the role of renewable energy to overcome rising energy deficiency and carbon emission for selected countries from 1990 to 2021. For empirical analysis, this study uses methods of moments panel quantile regression analysis and to check the robustness, study used panel quantile robust analysis. Graphical analysis indicated rising global energy deficiency since last three decades where energy consumption is higher than energy production. Empirical results showed that renewable energy is a significant factor for reducing energy deficiency. Secondly, the energy deficiency increases carbon emission level and again renewable energy decreases emissions level. This study recommends that global energy deficiency and rising carbon emissions can be controlled through structural change in the form of energy transition to replace non-renewable resources with renewable resources.

Keywords: energy deficiency, renewable energy, carbon emission, energy trade, PQL analysis

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Authors: Mathias Aakyiir, Qunhui Zheng, Sherif Araby, Jun Ma

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MXene nanosheets stack in polymer matrices, while multi-walled carbon nanotubes (MWCNTs) entangle themselves when used to form composites. These challenges are addressed in this work by forming MXene/MWCNT hybrid nanofillers by electrostatic self-assembly and developing elastomer/MXene/MWCNTs nanocomposites using a latex compounding method. In a 3-phase nanocomposite, MWCNTs serve as bridges between MXene nanosheets, leading to nanocomposites with well-dispersed nanofillers. The high aspect ratio of MWCNTs and the interconnection role of MXene serve as a basis for forming nanocomposites of lower percolation threshold of electrical conductivity from the hybrid fillers compared with the 2-phase composites containing either MXene or MWCNTs only. This study focuses on discussing into detail the interfacial interaction of nanofillers and the elastomer matrix and the outstanding mechanical and functional properties of the resulting nanocomposites. The developed nanocomposites have potential applications in the automotive and aerospace industries.

Keywords: elastomers, multi-walled carbon nanotubes, MXenes, nanocomposites

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Authors: Jun-Geol Park, Kyoung-Il Do, Min-Ju Kwon, Kyung-Hyun Park, Yong-Seo Koo

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This paper analyzed the SCR (Silicon Controlled Rectifier)-based ESD (Electrostatic Discharge) protection circuits with the turn-on time characteristics. The structures are the LVTSCR (Low Voltage Triggered SCR), the ZTSCR (Zener Triggered SCR) and the PTSCR (P-Substrate Triggered SCR). The three structures are for the 5V power clamp. In general, the structures with the low trigger voltage structure can have the fast turn-on characteristics than other structures. All the ESD protection circuits have the low trigger voltage by using the N+ bridge region of LVTSCR, by using the zener diode structure of ZTSCR, by increasing the trigger current of PTSCR. The simulation for the comparison with the turn-on time was conducted by the Synopsys TCAD simulator. As the simulation results, the LVTSCR has the turn-on time of 2.8 ns, ZTSCR of 2.1 ns and the PTSCR of 2.4 ns. The HBM simulation results, however, show that the PTSCR is the more robust structure of 430K in HBM 8kV standard than 450K of LVTSCR and 495K of ZTSCR. Therefore the PTSCR is the most effective ESD protection circuit for the 5V power clamp.

Keywords: ESD, SCR, turn-on time, trigger voltage, power clamp

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Authors: Mohamad Alkhalidi, S. Neelamani, Noor Alanjari

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The main purpose of harbors and marinas is to create a calm and safe docking space for marine vessels. Standard rubble mound breakwaters, although widely used, occupy port space and require large amounts of stones or rocks. Kuwait does not have good quality stone, so they are imported at a very high cost. Therefore, there is a need for a new wave energy dissipating structure where stones and rocks are scarce. While permeable slotted vertical walls have been proved to be a suitable alternative to rubble mound breakwaters, the introduction of sloped slotted walls may be more efficient in dissipating wave energy. For example, two slotted barriers with 60degree inclination may be equivalent to three vertical slotted barriers from wave energy dissipation point of view. A detailed physical model study is carried out to determine the effects of slope angle, porosity, and a number of walls on wave energy dissipation for a wide range of random and regular waves. The results of this study can be used to improve and optimize energy dissipation and reduce construction cost.

Keywords: porosity, slope, wave reflection, wave transmission

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Authors: U. L. Fulco, E. L. Albuquerque, José X. Lima Neto, L. R. Da Silva

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The binding of the nonsteroidal anti-inflammatory drug ibuprofen (IBU) to human serum albumin (HSA) is investigated using density functional theory (DFT) calculations within a fragmentation strategy. Crystallographic data for the IBU–HSA supramolecular complex shows that the ligand is confined to a large cavity at the subdomain IIIA and at the interface between the subdomains IIA and IIB, whose binding sites are FA3/FA4 and FA6, respectively. The interaction energy between the IBU molecule and each amino acid residue of these HSA binding pockets was calculated using the Molecular Fractionation with Conjugate Caps (MFCC) approach employing a dispersion corrected exchange–correlation functional. Our investigation shows that the total interaction energy of IBU bound to HSA at binding sites of the fatty acids FA3/FA4 (FA6) converges only for a pocket radius of at least 8.5 °A, mainly due to the action of residues Arg410, Lys414 and Ser489 (Lys351, Ser480 and Leu481) and residues in nonhydrophobic domains, namely Ile388, Phe395, Phe403, Leu407, Leu430, Val433, and Leu453 (Phe206, Ala210, Ala213, and Leu327), which is unusual. Our simulations are valuable for a better understanding of the binding mechanism of IBU to albumin and can lead to the rational design and the development of novel IBU-derived drugs with improved potency.

Keywords: ibuprofen, human serum albumin, density functional theory, binding energies

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Authors: Hassan Rasool

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There is limited research in the intervention domain of work family interaction. We identified that meditation could be effective in coping work family conflict and nurturing work family facilitation across domains. We conducted pretest posttest control group field experiment on a sample of sixty employees to test the effectiveness of meditation in a financial sector organization. Empirical evidence confirms that the intervention was effective in coping work family conflict & nurturing facilitation across work & home domains. The intervention, also positively affected a known outcome (i.e. satisfaction at work and home) of work family interaction. Future research perspectives on the use of unorthodox interventions in the domain of work family interaction are also discussed.

Keywords: work family interaction, meditation, satisfaction, experiment

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Authors: Sergio Alejandro Cuevas, Catherine Etchebest, Fernando Luis Barroso Da Silva

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The flavivirus genus has several organisms responsible for generating various diseases in humans. Special in Brazil, Zika (ZIKV), Dengue (DENV) and Yellow Fever (YFV) viruses have raised great health concerns due to the high number of cases affecting the area during the last years. Diagnostic is still a difficult issue since the clinical symptoms are highly similar. The understanding of their common structural/dynamical and biomolecular interactions features and differences might suggest alternative strategies towards differential serological diagnostics and therapeutic intervention. Due to their immunogenicity, the primary focus of this study was on the ZIKV, DENV and YFV non-structural proteins 1 (NS1) protein. By means of computational studies, we calculated the main physical chemical properties of this protein from different strains that are directly responsible for the biomolecular interactions and, therefore, can be related to the differential infectivity of the strains. We also mapped the electrostatic differences at both the sequence and structural levels for the strains from Uganda to Brazil that could suggest possible molecular mechanisms for the increase of the virulence of ZIKV. It is interesting to note that despite the small changes in the protein sequence due to the high sequence identity among the studied strains, the electrostatic properties are strongly impacted by the pH which also impact on their biomolecular interactions with partners and, consequently, the molecular viral biology. African and Asian strains are distinguishable. Exploring the interfaces used by NS1 to self-associate in different oligomeric states, and to interact with membranes and the antibody, we could map the strategy used by the ZIKV during its evolutionary process. This indicates possible molecular mechanisms that can explain the different immunological response. By the comparison with the known antibody structure available for the West Nile virus, we demonstrated that the antibody would have difficulties to neutralize the NS1 from the Brazilian strain. The present study also opens up perspectives to computationally design high specificity antibodies.

Keywords: zika, biomolecular interactions, electrostatic interactions, molecular mechanisms

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Authors: Androniki-Anna Doulgeroglou, Panagiotis Kotronis, Giulio Sciarra, Catherine Bouillon

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The interaction diagrams are functions that define ultimate states expressed in terms of generalized forces (axial force, bending moment and shear force). Two characteristic states for reinforced concrete (RC) sections are proposed: the first characteristic state corresponds to the yield of the reinforcement bars and the second to the peak values of the generalized forces generalized displacements curves. 3D numerical simulations are then conducted for RC columns and the global responses are compared to experimental results. Interaction diagrams for combined flexion, shear and axial force loading conditions are numerically produced for symmetrically RC square sections for different reinforcement ratios. Analytical expressions of the interaction diagrams are also proposed, satisfying the condition of convexity. Comparison with interaction diagrams from the Eurocode is finally presented for the study cases.

Keywords: analytical convex expressions, finite element method, interaction diagrams, reinforced concrete

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Authors: Vahid Bairami Rad

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Due to the tremendous progress in computer technology in the last decades, the capabilities of computers increased enormously and working with a computer became a normal activity for nearly everybody. With all the possibilities a computer can offer, humans and their interaction with computers are now a limiting factor. This gave rise to a lot of research in the field of HCI (human computer interaction) aiming to make interaction easier, more intuitive, and more efficient. To research eye gaze based interfaces it is necessary to understand both sides of the interaction–the human eye and the eye tracker. The first section gives an overview on the anatomy of the eye. The second section accuracy and calibration issue. The subsequent section presents data from a user study where eye movements have been recorded while watching a video and while surfing the Internet. Statistics on the eye movement during these tasks for several individuals provide typical values and ranges for fixation times and saccade lengths and are the foundation for discussions in later chapters. The data also reveal typical limitations of eye trackers.

Keywords: human computer interaction, gaze tracking, calibration, eye movement

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Authors: Mindaugas Kazlauskas

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In this paper, it is presupposed that the description of the relationship between animal and human should begin with a description of the direct experience of the animal and how, in this experience, the human experiences itself (a self awareness mode). A human is concerned first and foremost with himself as a human through the experience of another as an animal. The questionsare: In the encounter with an animal, how is the animal constituted in the acts of human experience? How does human-animal interaction influence human behavioral patterns, and how does the human identifies itself in this interaction? The paper will present the results of interpretative phenomenological descriptions (IPA) of the relationship between human and animal in the face of death phenomenon through the experience of pet owners who lost their beloved companions and hunters, veterinatians, and farmers who face animal death. The results of IPA analysis reveal different relations such as the identification with an animal, the alienation experience, the experience of resistance, and an experience of detachment. Within these themes, IPA qualitative research results will be presented by highlighting patterns of human behavior, following Friedrich Schlachermacher's hermeneutics methodological principles, and reflecting on changes in value and attitude within society during daily interaction with the animal.

Keywords: animal human interaction, phenomenology, philosophy, death phenomenon

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Authors: P. Valdez, M. Pelissero, A. Haim, F. Muiño, F. Galia, R. Tula

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As a result of the studies performed on the wave energy resource worldwide, a research project was set up to harvest wave energy for its conversion into electrical energy. Within this framework, a theoretical model of the electromechanical energy harvesting system, developed with MATLAB’s Simulink software, will be provided. This tool recreates the site conditions where the device will be installed and offers valuable information about the amount of energy that can be harnessed. This research provides a deeper understanding of the utilization of wave energy in order to improve the efficiency of a 1:1 scale prototype of the device.

Keywords: electromechanical device, modeling, renewable energy, sea wave energy, simulation

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Authors: András Medve, Katalin Szabad, István Patkó

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According to the International Energy Association the previous principles of the energy sector should be reassessed, in which renewable energy sources have a significant role. We might witness the exchange of roles of countries from importer to exporter, which look for the main resources of market needs. According to the World Energy Outlook 2013, the duration of high oil prices is exceptionally long in the history of the energy market. Forecasts also point at the expected great differences between the regional prices of gas and electric energy. The energy need of the world will grow by its third. two thirds of which will appear in China, India, and South-East Asia, while only 4 per cent of which will be related to OECD countries. Current trends also forecast the growth of the price of energy sources and the emission of glasshouse gases. As a reflection of these forecasts alternative energy sources will gain value, of which geothermic energy is one of the cheapest and most economical. Hungary possesses outstanding resources of geothermic energy. The aim of the study is to research the environmental effects of geothermic energy and the opportunities of its exploitation in Hungary, related to „Horizon 2020” project.

Keywords: sustainable energy, renewable energy, development of geothermic energy in Hungary

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Authors: Hussain Ali Bekhet, Nor Hamisham Harun

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The main objective of this paper is to give a comprehensive review of non-renewable energy and renewable energy utilization in Malaysia, including hydropower, solar photovoltaic, biomass and biogas technologies. Malaysia mainly depends on non-renewable energy (natural gas, coal and crude oil) for electricity generation. Therefore, this paper provides a comprehensive review of the energy sector and discusses diversification of electricity generation as a strategy for providing sustainable energy in Malaysia. Energy policies and strategies to protect the non-renewable energy utilization also are highlighted, focusing in the different sources of energy available for high and sustained economic growth. Emphasis is also placed on a discussion of the role of renewable energy as an alternative source for the increase of electricity supply security. It is now evident that to achieve sustainable development through renewable energy, energy policies and strategies have to be well designed and supported by the government, industries (firms), and individual or community participation. The hope is to create a positive impact on sustainable development through renewable sources for current and future generations.

Keywords: Malaysia, non-renewable energy, renewable energy, sustainable energy

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Authors: Andrey Davydov, Konstantin Sveshnikov, Yulia Voronina

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There is now a lot of interest to the non-perturbative QED-effects, caused by diving of discrete levels into the negative continuum in the supercritical static or adiabatically slowly varying Coulomb fields, that are created by the localized extended sources with Z > Z_cr. Such effects have attracted a considerable amount of theoretical and experimental activity, since in 3+1 QED for Z > Z_cr,1 ≈ 170 a non-perturbative reconstruction of the vacuum state is predicted, which should be accompanied by a number of nontrivial effects, including the vacuum positron emission. Similar in essence effects should be expected also in both 2+1 D (planar graphene-based hetero-structures) and 1+1 D (one-dimensional ‘hydrogen ion’). This report is devoted to the study of such essentially non-perturbative vacuum effects for the supercritical Dirac-Coulomb systems in 1+1D and 2+1D, with the main attention drawn to the vacuum polarization energy. Although the most of works considers the vacuum charge density as the main polarization observable, vacuum energy turns out to be not less informative and in many respects complementary to the vacuum density. Moreover, the main non-perturbative effects, which appear in vacuum polarization for supercritical fields due to the levels diving into the lower continuum, show up in the behavior of vacuum energy even more clear, demonstrating explicitly their possible role in the supercritical region. Both in 1+1D and 2+1D, we explore firstly the renormalized vacuum density in the supercritical region using the Wichmann-Kroll method. Thereafter, taking into account the results for the vacuum density, we formulate the renormalization procedure for the vacuum energy. To evaluate the latter explicitly, an original technique, based on a special combination of analytical methods, computer algebra tools and numerical calculations, is applied. It is shown that, for a wide range of the external source parameters (the charge Z and size R), in the supercritical region the renormalized vacuum energy could significantly deviate from the perturbative quadratic growth up to pronouncedly decreasing behavior with jumps by (-2 x mc^2), which occur each time, when the next discrete level dives into the negative continuum. In the considered range of variation of Z and R, the vacuum energy behaves like ~ -Z^2/R in 1+1D and ~ -Z^3/R in 2+1D, exceeding deeply negative values. Such behavior confirms the assumption of the neutral vacuum transmutation into the charged one, and thereby of the spontaneous positron emission, accompanying the emergence of the next vacuum shell due to the total charge conservation. To the end, we also note that the methods, developed for the vacuum energy evaluation in 2+1 D, with minimal complements could be carried over to the three-dimensional case, where the vacuum energy is expected to be ~ -Z^4/R and so could be competitive with the classical electrostatic energy of the Coulomb source.

Keywords: non-perturbative QED-effects, one- and two-dimensional Dirac-Coulomb systems, supercritical fields, vacuum polarization

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Authors: Cyril Agochi Okorowo

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More than ever human activity relating to uncontrolled greenhouse gas (GHG) and its effects on the earth is gaining greater attention in the global academic and policy discussions. Activities of man have greatly influenced climate change over the years as a result of a consistent increase in the use of fossil fuel energy. Scientists and researchers globally are making significant and devoted efforts towards the development and implementation of renewable energy technologies that are harmless to the environment. One of such energy is solar energy with its source from the sun. There are currently two primary ways of harvesting this energy from the sun: through photovoltaic (PV) panels and through thermal collectors. This work discusses solar energy as the abundant renewable energy in the tropical Nigeria, processes of harvesting the energy and recommends solar energy as an alternative means of electric power generation in a time the demand for power in Nigeria supersedes supply.

Keywords: analysis, energy, design, solar

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Authors: Vicx Farm

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This paper examines the critical role of energy efficiency management and renewable energy in fostering sustainable agricultural practices in Nigeria. With the growing concerns over energy security, environmental degradation, and climate change, there is an urgent need to transition towards more sustainable energy sources and practices in the agricultural sector. Nigeria, being a significant player in the global agricultural market, stands to benefit immensely from integrating energy efficiency measures and renewable energy solutions into its agricultural activities. This paper discusses the current energy challenges facing Nigerian agriculture, explores the potential benefits of energy efficiency and renewable energy adoption, and proposes strategies for effective implementation. The paper concludes with recommendations for policymakers, stakeholders, and practitioners to accelerate the adoption of energy-efficient and renewable energy technologies in Nigerian agriculture, thereby promoting sustainable development and resilience in the sector.

Keywords: energy, agriculture, sustainability, power

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Authors: Paramita Banerjee, K. R. S. Chandrakumar, G. P. Das

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Bulk MgH2 has drawn much attention for the purpose of hydrogen storage because of its high hydrogen storage capacity (~7.7 wt %) as well as low cost and abundant availability. However, its practical usage has been hindered because of its high hydrogen desorption enthalpy (~0.8 eV/H2 molecule), which results in an undesirable desorption temperature of 3000C at 1 bar H2 pressure. To surmount the limitations of bulk MgH2 for the purpose of hydrogen storage, a detailed first-principles density functional theory (DFT) based study on the structure and stability of neutral (Mgm) and positively charged (Mgm+) Mg nanoclusters of different sizes (m = 2, 4, 8 and 12), as well as their interaction with molecular hydrogen (H2), is reported here. It has been found that due to the absence of d-electrons within the Mg atoms, hydrogen remained in molecular form even after its interaction with neutral and charged Mg nanoclusters. Interestingly, the H2 molecules do not enter into the interstitial positions of the nanoclusters. Rather, they remain on the surface by ornamenting these nanoclusters and forming new structures with a gravimetric density higher than 15 wt %. Our observation is that the inclusion of Grimme’s DFT-D3 dispersion correction in this weakly interacting system has a significant effect on binding of the H2 molecules with these nanoclusters. The dispersion corrected interaction energy (IE) values (0.1-0.14 eV/H2 molecule) fall in the right energy window, that is ideal for hydrogen storage. These IE values are further verified by using high-level coupled-cluster calculations with non-iterative triples corrections i.e. CCSD(T), (which has been considered to be a highly accurate quantum chemical method) and thereby confirming the accuracy of our ‘dispersion correction’ incorporated DFT calculations. The significance of the polarization and dispersion energy in binding of the H2 molecules are confirmed by performing energy decomposition analysis (EDA). A total of 16, 24, 32 and 36 H2 molecules can be attached to the neutral and charged nanoclusters of size m = 2, 4, 8 and 12 respectively. Ab-initio molecular dynamics (AIMD) simulation shows that the outermost H2 molecules are desorbed at a rather low temperature viz. 150 K (-1230C) which is expected. However, complete dehydrogenation of these nanoclusters occur at around 1000C. Most importantly, the host nanoclusters remain stable up to ~500 K (2270C). All these results on the adsorption and desorption of molecular hydrogen with neutral and charged Mg nanocluster systems indicate towards the possibility of reducing the dehydrogenation temperature of bulk MgH2 by designing new Mg-based nano materials which will be able to adsorb molecular hydrogen via this weak Mg-H2 interaction, rather than the strong Mg-H bonding. Notwithstanding the fact that in practical applications, these interactions will be further complicated by the effect of substrates as well as interactions with other clusters, the present study has implications on our fundamental understanding to this problem.

Keywords: density functional theory, DFT, hydrogen storage, molecular dynamics, molecular hydrogen adsorption, nanoclusters, physisorption

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Authors: Malek Bendjaballah, Hacina Saidi, Sarra Hamidoud

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The aim of this study is to model and optimize the performance of a new electrocoagulation (E.C) process for the treatment of wastewater as well as the energy consumption in order to extrapolate it to the industrial scale. Through judicious application of an experimental design (DOE), it has been possible to evaluate the individual effects and interactions that have a significant influence on both objective functions (maximizing efficiency and minimizing energy consumption) by using aluminum electrodes as sacrificial anode. Preliminary experiments have shown that the pH of the medium, the applied potential and the treatment time with E.C are the main parameters. A factorial design 33 has been adopted to model performance and energy consumption. Under optimal conditions, the pollution reduction efficiency is 93%, combined with a minimum energy consumption of 2.60.10-3 kWh / mg-COD. The potential or current applied and the processing time and their interaction were the most influential parameters in the mathematical models obtained. The results of the modeling were also correlated with the experimental ones. The results offer promising opportunities to develop a clean process and inexpensive technology to eliminate or reduce wastewater,

Keywords: electrocoagulation, green process, experimental design, optimization

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Authors: Li Zhu, Binghua Wang, Yong Sun

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China is experiencing the rural development process, with the agritourism complex becoming one of the significant modes. Therefore, it is imperative to understand the energy performance of agritourism complex. This study focuses on a typical case of the agritourism complex and simulates the energy consumption performance on condition of the regular energy system. It was found that HVAC took 90% of the whole energy demand range. In order to optimize the energy supply structure, the hierarchical analysis was carried out on the level of architecture with three main factors such as construction situation, building types and energy demand types. Finally, the energy planning suggestion of the agritourism complex was put forward and the relevant results were obtained.

Keywords: agritourism complex, energy planning, energy demand simulation, hierarchical structure model

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Authors: K. M. Etmimi, A. A. Sghayer, A. M. Gsiea, A. M. Abutruma

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Relatively few chemical species can be incorporated into diamond during CVD growth, and until recently the uptake of oxygen was thought to be low perhaps as a consequence of a short surface residence time. Within the literature, there is speculation regarding spectroscopic evidence for O in diamond, but no direct evidence. For example, the N3 and OK1 EPR centres have been tentatively assigned models made up from complexes of substitutional N and substitutional oxygen. In this study, we report density-functional calculations regarding the stability, electronic structures, geometry and hyperfine interaction of substitutional oxygen in diamond and show that the C2v, S=1 configuration very slightly lower in energy than the other configurations (C3v, Td, and C2v with S=0). The electronic structure of O in diamond generally gives rise to two defect-related energy states in the band gap one a non-degenerate a1 state lying near the middle of the energy gap and the other a threefold-degenerate t2 state located close to the conduction band edges. The anti-bonding a1 and t2 states will be occupied by one to three electrons for O+, O and O− respectively.

Keywords: DFT, oxygen, diamond, hyperfine

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Authors: K. Khouzami, J. Brassinne, C. Branca, E. Van Ruymbeke, B. Nysten, G. D’Angelo

Abstract:

The development of hybrid organic-inorganic nanocomposites has recently attracted great interest. Typically, polymer silicates represent an emerging class of polymeric nanocomposites that offer superior material properties compared to each compound alone. Among these materials, complexes based on silicate clay and polysaccharides are one of the most promising nanocomposites. The strong electrostatic interaction between chitosan and montmorillonite can induce what is called physical hydrogel, where the coordination bonds or physical crosslinks may associate and dissociate reversibly and in a short time. These mechanisms could be the main origin of the uniqueness of their rheological behavior. However, owing to their structure intrinsically heterogeneous and/or the lack of dissipated energy, they are usually brittle, possess a poor toughness and may not have sufficient mechanical strength. Consequently, the properties of these nanocomposites cannot respond to some requirements of many applications in several fields. To address the issue of weak mechanical properties, covalent chemical crosslink bonds can be introduced to the physical hydrogel. In this way, quite homogeneous dually crosslinked microstructures with high dissipated energy and enhanced mechanical strength can be engineered. In this work, we have prepared a series of chitosan-montmorillonite nanocomposites chemically crosslinked by addition of poly (ethylene glycol) diglycidyl ether. This study aims to provide a better understanding of the mechanical behavior of dually crosslinked chitosan-based nanocomposites by relating it to their microstructures. In these systems, the variety of microstructures is obtained by modifying the number of cross-links. Subsequently, a superior uniqueness of the rheological properties of chemically crosslinked chitosan-montmorillonite nanocomposites is achieved, especially at the highest percentage of clay. Their rheological behaviors depend on the clay/chitosan ratio and the crosslinking. All specimens exhibit a viscous rheological behavior over the frequency range investigated. The flow curves of the nanocomposites show a Newtonian plateau at very low shear rates accompanied by a quite complicated nonlinear decrease with increasing the shear rate. Crosslinking induces a shear thinning behavior revealing the formation of network-like structures. Fitting shear viscosity curves via Ostward-De Waele equation disclosed that crosslinking and clay addition strongly affect the pseudoplasticity of the nanocomposites for shear rates γ ̇>20.

Keywords: chitosan, crossliking, nanocomposites, rheological properties

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Authors: Venkata Ramanaiah, Shabina Khanam

Abstract:

Enormous potential for saving energy is available in coal-based sponge iron plants as these are associated with the high percentage of energy wastage per unit sponge iron production. An energy integration option is proposed, in the present paper, to a coal based sponge iron plant of 100 tonnes per day production capacity, being operated in India using SL/RN (Stelco-Lurgi/Republic Steel-National Lead) process. It consists of the rotary kiln, rotary cooler, dust settling chamber, after burning chamber, evaporating cooler, electrostatic precipitator (ESP), wet scrapper and chimney as important equipment. Principles of process integration are used in the proposed option. It accounts for preheating kiln inlet streams like kiln feed and slinger coal up to 170ᴼC using waste gas exiting ESP. Further, kiln outlet stream is cooled from 1020ᴼC to 110ᴼC using kiln air. The working areas in the plant where energy is being lost and can be conserved are identified. Detailed material and energy balances are carried out around the sponge iron plant, and a modified model is developed, to find coal requirement of proposed option, based on hot utility, heat of reactions, kiln feed and air preheating, radiation losses, dolomite decomposition, the heat required to vaporize the coal volatiles, etc. As coal is used as utility and process stream, an iterative approach is used in solution methodology to compute coal consumption. Further, water consumption, operating cost, capital investment, waste gas generation, profit, and payback period of the modification are computed. Along with these, operational aspects of the proposed design are also discussed. To recover and integrate waste heat available in the plant, three gas-solid heat exchangers and four insulated ducts with one FD fan for each are installed additionally. Thus, the proposed option requires total capital investment of $0.84 million. Preheating of kiln feed, slinger coal and kiln air streams reduce coal consumption by 24.63% which in turn reduces waste gas generation by 25.2% in comparison to the existing process. Moreover, 96% reduction in water is also observed, which is the added advantage of the modification. Consequently, total profit is found as $2.06 million/year with payback period of 4.97 months only. The energy efficient factor (EEF), which is the % of the maximum energy that can be saved through design, is found to be 56.7%. Results of the proposed option are also compared with literature and found in good agreement.

Keywords: coal consumption, energy conservation, process integration, sponge iron plant

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Authors: Amirhossein Khazali, Mohsen Kalantar

Abstract:

Energy storage units can play an important role to provide an economic and secure operation of future energy systems. In this paper, a stochastic energy and reserve market clearing scheme is presented considering storage energy units. The approach is proposed to deal with stochastic and non-dispatchable renewable sources with a high level of penetration in the energy system. A two stage stochastic programming scheme is formulated where in the first stage the energy market is cleared according to the forecasted amount of wind generation and demands and in the second stage the real time market is solved according to the assumed scenarios.

Keywords: energy and reserve market, energy storage device, stochastic programming, wind generation

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Authors: Shukran M. Dadayev

Abstract:

To author's best knowledge, in this paper, the Basic Properties and Research methods of a Fundamental Particle is studied for the first time. That's to say, Fundamental Particle has not been discovered in the Nature yet. Because Fundamental Particle consists of specific Physical, Geometrical and Internal bases. Geometrical and Internal characteristics that are considered significant for the elementary and fundamental particles aren’t basic properties, characteristics or criteria of a Fundamental Particle. Of course, completely new Physical and Visual experimental methods of Quantum mechanics and Behavioral-Physical investigations of Particles are needed to study and discover the Fundamental Particle. These are new Physical, Visual and Behavioral-Physical experimental methods for describing and discovering the Fundamental Particle in the Nature and Microworld. Fundamental Particle consists of the same Energy-Mass-Motion system and a symmetry of Energy-Mass-Motion. Fundamental Particle supplies each of the elementary particles with the same Energy-Mass-Motion system at the same time and regulates each of the particles. Fundamental Particle gives Energy, Mass and Motion to each particles at the same time, each of the Particles consists of acquired Energy-Mass-Motion system and symmetry. Energy, Mass, Motion given by the Fundamental Particle to the particles are Symmetrical Equivalent and they remain in their primary shapes in all cases. Fundamental Particle gives Energy-Mass-Motion system and symmetry consisting of different measures and functions to each of the particles. The Motion given by the Fundamental Particle to the particles is Gravitation, Gravitational Interaction not only gives Motion, but also cause Motion by attracting. All Substances, Fields and Cosmic objects consist of Energy-Mass-Motion. The Field also includes specific Mass. They are always Energetic, Massive and Active. Fundamental Particle establishes the bases of the Nature. Supplement and Regulating of all the particles existing in the Nature belongs to Fundamental Particle.

Keywords: basic properties of a fundamental particle, behavioral-physical and visual methods, energy-mass-motion system and symmetrical equivalence, fundamental particle

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Authors: Mohammed Habchi, Sidi Mohammed Mesli, Rafik Benallal, Mohammed Kotbi

Abstract:

On the basis of four partial correlation functions and some geometric constraints obtained from neutron scattering experiments, a Reverse Monte Carlo (RMC) simulation has been performed in the study of the aqueous electrolyte LiCl6H2O at the glassy state. The obtained 3-dimensional model allows computing pair radial and orientational distribution functions in order to explore the structural features of the system. Unrealistic features appeared in some coordination peaks. To remedy to this, we use the Hybrid Reverse Monte Carlo (HRMC), incorporating an additional energy constraint in addition to the usual constraints derived from experiments. The energy of the system is calculated using an Environment Dependence Interaction Potential (EDIP). Ions effects is studied by comparing correlations between water molecules in the solution and in pure water at room temperature Our results show a good agreement between experimental and computed partial distribution functions (PDFs) as well as a significant improvement in orientational distribution curves.

Keywords: LiCl6H2O, glassy state, RMC, HRMC

Procedia PDF Downloads 435