Search results for: crystal electric field (CEF) spin-orbit coupling

Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

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

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

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Authors: Ilham Ihoume, Rachid Tadili, Nora Arbaoui

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The use of solar energy in agricultural applications has gained significant at‎tention ‎‎in recent years as a sustainable and environmentally friendly alternative to ‎‎conventional energy sources. In particular, solar drying of crops has ‎been identified ‎‎as an effective method to preserve agricultural produce while ‎minimizing energy ‎‎consumption and reducing carbon emissions. In this context, the present study ‎‎aims to evaluate the thermo-economic and ecological ‎performance of a solar-electric hybrid greenhouse dryer designed for grape ‎drying. The proposed system ‎‎integrates solar collectors, an electric heater, ‎and a greenhouse structure to create a ‎‎controlled and energy-efficient environment for grape drying. The thermo-economic assessment involves the ‎analysis of the thermal performance, energy ‎‎consumption, and cost-effectiveness of the solar-electric hybrid greenhouse dryer. ‎‎On the other ‎hand, the ecological assessment focuses on the environmental impact ‎‎of the ‎system in terms of carbon emissions and sustainability. The findings of this ‎‎‎study are expected to contribute to the development of sustainable agricultural ‎‎practices and the promotion of renewable energy technologies in the ‎context of ‎‎food production. Moreover, the results may serve as a basis for the ‎design and ‎‎optimization of similar solar drying systems for other crops and ‎regions.‎

Keywords: solar energy, sustainability, agriculture, energy ‎‎analysis‎

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Authors: Aaron Huber, Manoj Karwa

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Floods, heat waves, drought, wildfires, tornadoes and other environmental disasters are a snapshot of looming national problems that can create increasing demands on the national grid. With nearly 500,000 school buses on the road and the environmental protection agency (EPA) providing nearly $1B for electric school buses, there is a solution for this national issue. Bidirectional batteries in electric school buses enable a future proof solution to sustain the power grid during adverse environmental conditions and other periods of high demand. School buses have larger batteries than standard electric vehicles. When they are not transporting students, these buses can spend peak solar hours parked and plugged into bi-directional direct current fast chargers (DCFC). A partnership with Highland Electric, Proterra and Rhombus enabled over 7 MWh of energy servicing Massachusetts and Vermont grids. The buses were part of a vehicle to grid (V2G) program with National Grid and Green Mountain Power that can charge an average American home for one month with a single bus. V2G infrastructure enables school systems to future proof their charging strategies, strengthen their local grids and can create additional revenue streams with their EV fleets. A bidirectional ecosystem with Highland, Proterra and Rhombus can enable grid resiliency or the ability to withstand power outages caused by excessive demands, natural disasters or rogue nation's attacks with no loss of service. A fleet of school buses is a standalone resilient asset that can be accessed across a city to keep its citizens safe without having any toxic fumes. Nearly 95% of all school buses across USA are powered by diesel internal combustion engines. Diesel exhaust has been classified as a human carcinogen, and it can lead to and exacerbate respiratory conditions. Bidirectional school buses and chargers enable energy justice by providing backup power in case of emergencies or high demand for marginalized communities and aim to make energy more accessible, affordable, clean, and democratically managed.

Keywords: V2G, vehicle to grid, electric buses, eBuses, DC fast chargers, DCFC

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Authors: Wenjun Zhang, Thao Thi Le, Dongyup Shin, Jong Min Kim

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Electrochemical hydrogen peroxide (H₂O₂) synthesis holds significant promise for decentralized environmental remediation through the electro-Fenton process. However, challenges persist, such as the absence of robust electrocatalysts for the selective two-electron oxygen reduction reaction (2e⁻ ORR) and the high cost and sluggish kinetics of conventional electro-Fenton systems in treating highly concentrated wastewater. This study introduces an efficient water treatment system for removing substantial quantities of organic pollutants using an advanced electro-Fenton system coupled with a high-valent NiO catalyst. By employing a precipitation method involving crystal facet and cation vacancy engineering, a trivalent Ni (Ni³⁺)-rich NiO catalyst with a (111)-domain-exposed crystal facet, named {111}-NivO, was synthesized. This catalyst exhibited a remarkable 96% selectivity and a high mass activity of 59 A g⁻¹ for H₂O₂ production, outperforming all previously reported Ni-based catalysts. Furthermore, an advanced electro-Fenton system, integrated with a flow cell for electrochemical H₂O₂ production, was utilized to achieve 100% removal of 50 ppm bisphenol A (BPA) in 200 mL of wastewater under heavy-duty conditions, reaching a superior rapid degradation rate (4 min, k = 1.125 min⁻¹), approximately 102 times faster than the conventional electro-Fenton system. The hyper-efficiency is attributed to the continuous and appropriate supply of H₂O₂, the provision of O₂, and the timely recycling of the electrolyte under high current density operation. This catalyst also demonstrated a 93% removal of total organic carbon after 2 hours of operation and can be applied for efficient removal of highly concentrated phenol pollutants from aqueous systems, which opens new avenues for wastewater treatment.

Keywords: hydrogen peroxide production, nickel oxides, crystal facet and cation vacancy engineering, wastewater treatment, flow cell, electro-Fenton

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Authors: Messai Amel, Badis Zakaria, Benali-Cherif Nourredine, Dominique Luneaub

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We are interested in molecular polymetallic species having high spin and nuclearities in relation to the field of so call single-molecule magnets (SMMs). The goal is to find a way to synthesis metal clusters which may have application in magnetism and nano sciences. With this purpose, we decided to investigate the coordination chemistry of the Schiff base. Along this way we were able to create cubane-like complexes and elaborate new Single Molecule-Magnets. The idea was to use Schiff base ligands and different metals to generate high nuclear complexes. Complexation of Shiff base with copper (II) has been investigated. Tetra nuclear complex with a cubane like core have been synthesized with (Sciff base), with the same base and cobalt (II) we obtain an other single magnetic complex completely different. In this presentation, we report the synthesis, crystal structure and magnetic properties of the tetranuclear compound (Cu4 L4), and the tetranuclear compound. (Co4L4)

Keywords: cluster-assembled materials, magnetic compounds, Sciff base, cupper, cobalt

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Authors: Nouh Zeggai, Lucas Debrux, Fabien Parrain, Brahim Dkhil, Martino Lobue, Morgan Almanza

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Refrigeration and air conditioning are some of the most used energies in our daily life, especially vapor compression refrigeration. Electrocaloric material might appears as an alternative towards solid-state cooling. polyvinylidene fluoride (PVDF) based polymer has shown promising adiabatic temperature change (∆T) and entropy change (∆S). There is practically no limit to the electric field that can be applied, except the one that the material can withstand. However, when working with a large surface as required in a device, the chance to have a defect is larger and can drastically reduce the voltage breakdown, thus reducing the electrocaloric properties. In this work, we propose to study how the characteristic of a single film are transposed when going to multilayer. The laminator and the hot press appear as two interesting processes that have been investigating to achieve a multilayer film. The study is mainly focused on the breakdown field and the adiabatic temperature change, but the phase and crystallinity have also been measured. We process one layer-based PVDF and assemble them to obtain a multilayer. Pressing at hot temperature method and lamination were used for the production of the thin films. The multilayer film shows higher breakdown strength, temperature change, and crystallinity (beta phases) using the hot press technique.

Keywords: PVDF-TrFE-CFE, multilayer, electrocaloric effect, hot press, cooling device

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Authors: Hassane Ben Slimane, Dennai Benmoussa, Abderrachid Helmaoui

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We have theoretically calculated the photovoltaic conversion efficiency of a graded interface CdS/CIGS solar cell, which can be experimentally fabricated. Because the conduction band discontinuity or spike in an abrupt heterojunction CdS/CIGS solar cell can hinder the separation of hole-electron by electric field, a graded interface layer is uses to eliminate the spike and reduces recombination in space charge region. This paper describes the role of the graded band gap interface layer in decreasing the performance of the heterojunction cell. By optimizing the thickness of the graded region, an improvement of conversion efficiency has been observed in comparison to the conventional CIGS system.

Keywords: heterojunction, solar cell, graded interface, CIGS

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Authors: Alaa A. Zaky, Bandar Alfaifi, Saleh Alyahya, Alkistis Kontou, Panos Kotsampopoulos

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In this work, we present for the first time the grid-integration of 3rd generation perovskite solar cells (PSCs) based on nanotechnology in fabrication. The effect of this penetration is analyzed in normal, fault and islanding cases of operation under different irradiation conditions using the power hardware in the loop (PHIL) methodology. The PHL method allows the PSCs connection to the electric grid which is simulated in the real-time digital simulator (RTDS), for laboratory validation of the PSCs behavior under conditions very close to real.

Keywords: perovskite solar cells, power hardware in the loop, real-time digital simulator, smart grid

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Authors: Mohan L. Jayatiake, Judd Storrs, Jing-Huei Lee

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The optimal MRI resolution relies on a homogeneous magnetic field. However, local susceptibility variations can lead to field inhomogeneities that cause artifacts such as image distortion and signal loss. The effects of local susceptibility variation notoriously increase with magnetic field strength. Active shimming improves homogeneity by applying corrective fields generated from shim coils, but requires calculation of optimal current for each shim coil. FASTMAP (fast automatic shimming technique by mapping along projections) is an effective technique for finding optimal currents works well at high-field, but is restricted to shimming spherical regions of interest. The 3D gradient-echo pulse sequence was modified to reduce sensitivity to eddy currents and used to obtain susceptibility field maps at 4T. Measured fields were projected onto first-and second-order spherical harmonic functions corresponding to shim hardware. A spherical phantom was used to calibrate the shim currents. Susceptibility maps of a volunteer’s brain with and without FASTMAP shimming were obtained. Simulations indicate that optimal shim currents derived from the field map may provide better overall shimming of the human brain.

Keywords: shimming, high-field, active, passive

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Authors: Mirijam Vrabec, Marian Janak, Bojan Ambrozic, Angelja K. Surca, Nastja Rogan Smuc, Nina Zupancic, Saso Sturm

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Natural microdiamonds and moissanite (SiC) can form during the orogenic events under ultrahigh-pressure metamorphic conditions (UHP), when parts of Earth’s crust are subducted to extreme depths. So far, such processes were identified only in few places on the Earth, and therefore, represent unique opportunity to study the evolution of the Earth’s deep interior. An important discovery of microdiamonds and moissanite was reported from Pohorje, (Slovenia), where they occurred as single or polyphase inclusions in garnets. Metasedimentary rocks from Pohorje are predominantly gneisses representing parts of the Austroalpine metamorphic units of the Eastern Alps. During Cretaceous orogeny, (ca. 95–92 Ma) continental crustal rocks were deeply subducted to the mantle depths (below 100 km) and metamorphosed at pressures exceeding 3.5 GPa and temperatures between 800–850 °C. Microstructural and phase analysis of the inclusions as well as detailed elemental analysis of host garnets were carried out combining several analytical techniques: optical microscope in plane polarized transmitted light, electron probe microanalysis (EPMA) with wavelength-dispersive x-ray spectrometry (WDS) and field-emission scanning microscope (FEG-SEM) with energy-dispersive x-ray spectroscopy (EDS). Micro-Raman analysis revealed sharp, first order diamond bands sometimes accompanied by graphite bands implying that transformation of diamond back to graphite occurred. To study the chemical and crystallographic relationship between microdiamonds and co-inclusions, advanced techniques of transmission electron microscopy (TEM) were applied, which included high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), combined with EDS and electron energy-loss spectroscopy (EELS). To prepare electron transparent TEM lamellae selectively a dual-beam Focused Ion Beam/SEM (FIB/SEM) was employed. Detailed study of TEM lamellae, which was cross-sectioned from the highly faceted inclusion body located within the host garnet crystal matrix, revealed rich and rather complex internal structure. Namely, the negative crystal facets of the main inclusion body were typically decorated with up to 1 μm thick amorphous layer, reflecting the general garnet composition with slight variations in Fe/Ca content. Within these layers, ELNES analysis revealed the presence of a 28–30 nm thick layer of amorphous carbon. The very last section of this layer corresponds to composition of SiO2. Within the inclusion, besides diamond and moissanite alumosilicate mineral with pronounced layered structure, iron sulfides and chlorine were identified under TEM and CO2 and CH4 using Raman. Moissanite is found as single crystal or composed from numerous highly textured nano-crystals with the average size of 10 nm. Moissanite inclusions were found embedded inside the amorphous crust implying that moissanite crystalized well before the deposition of the amorphous layer. From the microstructural, crystallographic and chemical observations so far we can deduce, that polyphase inclusions in diamond bearing garnets from Pohorje most probably crystallized from reduced supercritical fluids. Based on layered interface structure of the host mineral multiphase process of crystallization is possible. The presence of microdiamonds and moissanite in rocks from Pohorje demonstrates that these parts of the Eastern Alps were subducted to extreme depths, and were subsequently exhumed back to the Earth's surface without complete breakdown of UHP mineral phases, allowing a rear and exceptional opportunity to study them in-situ.

Keywords: diamond, fluid inclusions, moissanite, TEM, UHP metamorphism.

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Authors: Zongmin Ma, Shaowen Zhang, Yueping Fu, Jun Tang, Yunbo Shi, Jun Liu

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Solid-state quantum sensors are attracting wide interest because of their high sensitivity at room temperature. In particular, spin properties of nitrogen–vacancy (NV) color centres in diamond make them outstanding sensors of magnetic fields, electric fields and temperature under ambient conditions. Much of the work on NV magnetic sensing has been done so as to achieve the smallest volume, high sensitivity of NV ensemble-based magnetometry using micro-cavity, light-trapping diamond waveguide (LTDW), nano-cantilevers combined with MEMS (Micro-Electronic-Mechanical System) techniques. Recently, frequency-modulated microwaves with continuous optical excitation method have been proposed to achieve high sensitivity of 6 μT/√Hz using individual NV centres at nanoscale. In this research, we built-up an experiment to measure static magnetic field through continuous wave optical excitation with frequency-modulated microwaves method under continuous illumination with green pump light at 532 nm, and bulk diamond sample with a high density of NV centers (1 ppm). The output of the confocal microscopy was collected by an objective (NA = 0.7) and detected by a high sensitivity photodetector. We design uniform and efficient excitation of the micro strip antenna, which is coupled well with the spin ensembles at 2.87 GHz for zero-field splitting of the NV centers. Output of the PD signal was sent to an LIA (Lock-In Amplifier) modulated signal, generated by the microwave source by IQ mixer. The detected signal is received by the photodetector, and the reference signal enters the lock-in amplifier to realize the open-loop detection of the NV atomic magnetometer. We can plot ODMR spectra under continuous-wave (CW) microwave. Due to the high sensitivity of the lock-in amplifier, the minimum detectable value of the voltage can be measured, and the minimum detectable frequency can be made by the minimum and slope of the voltage. The magnetic field sensitivity can be derived from η = δB√T corresponds to a 10 nT minimum detectable shift in the magnetic field. Further, frequency analysis of the noise in the system indicates that at 10Hz the sensitivity less than 10 nT/√Hz.

Keywords: nitrogen-vacancy (NV) centers, frequency-modulated microwaves, magnetic field sensitivity, noise density

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Authors: Kernou Nassim

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The current study presents a vulnerability and a reliability-mechanical approach that focuses on evaluating the seismic performance of reinforced concrete structures to determine the probability of failure. In this case, the performance function reflecting the non-linear behavior of the structure is modeled by a response surface to establish an analytical relationship between the random variables (strength of concrete and yield strength of steel) and mechanical responses of the structure (inter-floor displacement) obtained by the pushover results of finite element simulations. The push over-analysis is executed by software SAP2000. The results acquired prove that properly designed frames will perform well under seismic loads. It is a comparative study of the behavior of the existing structure before and after reinforcement using the pushover method. The coupling indirect mechanical reliability by response surface avoids prohibitive calculation times. Finally, the results of the proposed approach are compared with Monte Carlo Simulation. The comparative study shows that the structure is more reliable after the introduction of new shear walls.

Keywords: finite element method, surface response, reliability, reliability mechanical coupling, vulnerability

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Authors: Wei Tian, Jie Liang, Hammad Naveed

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Beta-barrel membrane proteins are found in the outer membrane of gram-negative bacteria, mitochondria, and chloroplasts. They carry out diverse biological functions, including pore formation, membrane anchoring, enzyme activity, and bacterial virulence. In addition, beta-barrel membrane proteins increasingly serve as scaffolds for bacterial surface display and nanopore-based DNA sequencing. Due to difficulties in experimental structure determination, they are sparsely represented in the protein structure databank and computational methods can help to understand their biophysical principles. We have developed a novel computational method to predict the 3D structure of beta-barrel membrane proteins using evolutionary coupling (EC) constraints and a reduced state space. Combined with an empirical potential function, we can successfully predict strand register at > 80% accuracy for a set of 49 non-homologous proteins with known structures. This is a significant improvement from previous results using EC alone (44%) and using empirical potential function alone (73%). Our method is general and can be applied to genome-wide structural prediction.

Keywords: beta-barrel membrane proteins, structure prediction, evolutionary constraints, reduced state space

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Authors: А. I. Dovgyalo, S. O. Nekrasova, D. V. Sarmin, A. A. Shimanov, D. A. Uglanov

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Usually liquefied natural gas (LNG) gasification is performed due to atmospheric heat. In order to produce a liquefied gas a sufficient amount of energy is to be consumed (about 1 kW∙h for 1 kg of LNG). This study offers a number of solutions, allowing using a cold energy of LNG. In this paper it is evaluated the application turbines installed behind the evaporator in LNG complex due to its work additional energy can be obtained and then converted into electricity. At the LNG consumption of G=1000kg/h the expansion work capacity of about 10 kW can be reached. Herewith-open Rankine cycle is realized, where a low capacity cryo-pump (about 500W) performs its normal function, providing the cycle pressure. Additionally discussed an application of Stirling engine within the LNG complex also gives a possibility to realize cold energy. Considering the fact, that efficiency coefficient of Stirling engine reaches 50 %, LNG consumption of G=1000 kg/h may result in getting a capacity of about 142 kW of such a thermal machine. The capacity of the pump, required to compensate pressure losses when LNG passes through the hydraulic channel, will make 500 W. Apart from the above-mentioned converters, it can be proposed to use thermoelectric generating packages (TGP), which are widely used now. At present, the modern thermoelectric generator line provides availability of electric capacity with coefficient of efficiency up to 15%. In the proposed complex, it is suggested to install the thermoelectric generator on the evaporator surface is such a way, that the cold end is contacted with the evaporator’s surface, and the hot one – with the atmosphere. At the LNG consumption of G=1000 kgг/h and specified coefficient of efficiency the capacity of the heat flow Qh will make about 32 kW. The derivable net electric power will be P=4,2 kW, and the number of packages will amount to about 104 pieces. The carried out calculations demonstrate the research perceptiveness in this field of propulsion plant development, as well as allow realizing the energy saving potential with the use of liquefied natural gas and other cryogenics technologies.

Keywords: cold energy, gasification, liquefied natural gas, electricity

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Authors: Oktira Roka Aji, Maelita R. Moeis, Ihsanawati, Ernawati A. Giri-Rachman

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Globally, tuberculosis (TB) remains a leading cause of death. The emergence of multidrug-resistant strains and extensively drug-resistant strains have become a major public concern. One of the potential candidates for drug target is the cytoplasmic domain of PhoR Histidine Kinase, a part of the Two Component System (TCS) PhoR-PhoP in Mycobacterium tuberculosis (Mtb). TCS PhoR-PhoP relay extracellular signal to control the expression of 114 virulent associated genes in Mtb. The 3D structure of PhoR cytoplasmic domain is needed to screen novel drugs using structure based drug discovery. The PhoR cytoplasmic domain from Mtb H37Rv was overexpressed in E. coli BL21(DE3), then purified using IMAC Ni-NTA Agarose his-tag affinity column and DEAE-ion exchange column chromatography. The molecular weight of the purified protein was estimated to be 37 kDa after SDS-PAGE analysis. This sample was used for pre-crystallization screening by applying sitting drop vapor diffusion method using Natrix (HR2-116) 48 solutions crystal screen kit at 25ºC. Needle-like crystals were observed after the seventh day of incubation in test solution No.47 (0.1 M KCl, 0.01 M MgCl2.6H2O, 0.05 M Tris-Cl pH 8.5, 30% v/v PEG 4000). Further testing is required for confirming the crystal.

Keywords: tuberculosis, two component system, histidine kinase, needle-like crystals

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Authors: Yamamah Abdulrazaq, Lahieb A. Abrahim, Samuel E. Davies, Iain Shewring

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An electric water heater (EWH) is a powerful appliance that uses electricity in residential, commercial, and industrial settings, and the ability to control them properly will result in cost savings and the prevention of blackouts on the national grid. This article discusses the usage of timers in EWH control strategies for demand-side management (DSM). Up to the authors' knowledge, there is no systematic mapping review focusing on the utilisation of EWH control strategies in DSM has yet been conducted. Consequently, the purpose of this research is to identify and examine main papers exploring EWH procedures in DSM by quantifying and categorising information with regard to publication year and source, kind of methods, and source of data for monitoring control techniques. In order to answer the research questions, a total of 31 publications published between 1999 and 2023 were selected depending on specific inclusion and exclusion criteria. The data indicate that direct load control (DLC) has been somewhat more prevalent than indirect load control (ILC). Additionally, the mixing method is much lower than the other techniques, and the proportion of Real-time data (RTD) to non-real-time data (NRTD) is about equal.

Keywords: demand side management, direct load control, electric water heater, indirect load control, non real-time data, real-time data

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Authors: Zeinab Amini Moghaddam, Alireza Dehkhodania

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Nowadays, organizations have found a high status in the cultural and social structures of societies. The purpose of current study is to investigate the relationship between organizational climate with job burnout as well as job satisfaction. The research method is descriptive and correlational. The population of the study includes all employees in Tehran Electric Company, which equals 1984 people in 2018. The sampling was performed in the form of a consensus, and all employees were regarded as samples. The data gathering tools consist of three questionnaires of Smith’s Job Satisfaction Questionnaire, Halpin and Craft's Occupational climate, and Maslach and Jackson's Job burnout. The results showed that there was a direct and positive relationship between organizational climate and job burnout, as well as job satisfaction. The organizational climate variable could successfully predict job satisfaction. It was also able to predict job burnout.

Keywords: organizational climate, job burnout, job satisfaction, descriptive, correlational

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Authors: Christina Roman, Deepak Koirala, Joseph A. Piccirilli

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Phage displaying synthetic Fab libraries have been used to obtain Fabs that bind to specific RNA targets with high affinity and specificity. These Fabs have been demonstrated to facilitate RNA crystallization. However, the antibody framework used in the construction of these phage display libraries contains numerous bulky, flexible, and charged residues, which facilitate solubility and hinder aggregation. These residues can interfere with crystallization due to the entropic cost associated with burying them within crystal contacts. To systematically reduce the surface entropy of the Fabs and improve their crystallization properties, a protein engineering strategy termed surface entropy reduction (SER) is being applied to the Fab framework. In this approach, high entropy residues are mutated to smaller ones such as alanine or serine. Focusing initially on Fab BL3-6, which binds an RNA AAACA pentaloop with 20nM affinity, the SER P server (http://services.mbi.ucla.edu/SER/) was used and analysis was performed on existing RNA-Fab BL3-6 co-crystal structures. From this analysis twelve surface entropy reduced mutants were designed. These SER mutants were expressed and are now being measured for their crystallization and diffraction performance with various RNA targets. So far, one mutant has generated 3.02 angstrom diffraction with the yjdF riboswitch RNA. Ultimately, the most productive mutations will be combined into a new Fab framework to be used in a optimized phage displayed Fab library.

Keywords: antibody fragment, crystallography, RNA, surface entropy reduction

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Authors: H. R. Goshayeshi, M. Mansori, M. Ahmady, M. Zhaloyi

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This paper presents the result of an experimental investigation regarding the use of Fe2O3 nanoparticles added to Kerosene as a working fluid, under magnetic field for Copper Oscillating Heat pipe with inclination angle of 0°(horizontal), 15°, 30°, 45°, 60°, 75°, and 90° (vertical). The following were examined; measure the temperature distribution and heat transfer rate on Oscillating Heat Pipe (OHP), with magnetic field under different angles. Results showed that the addition of Fe2O3 nanoparticles under magnetic field improved thermal performance of OHP especially in 75°.

Keywords: copper oscillating heat pipe, Fe2O3, magnetic field, inclination angles

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Authors: Heriansyah Putra, Erizal Erizal, Sutoyo Sutoyo, Hideaki Yasuhara

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This paper discusses the possibility of organic waste material, i.e., soybean, as the bio-catalyst agent on the calcite precipitation method. Several combinations of soybean powder and jack bean extract are used as the bio-catalyst and mixed with the reagent composed of calcium chloride and urea. Its productivity in promoting calcite crystal is evaluated through a transparent test-tube experiment. The morphological and mineralogical aspects of precipitated calcite are also investigated using scanning electromagnetic (SEM) and X-ray diffraction (XRD), respectively. The applicability of this material to improve the engineering properties of soil are examined using the direct shear and unconfined compressive test. The result of this study shows that the utilization of soybean powder brings about a significant effect on soil strength. In addition, the use of soybean powder as a substitution material of urease enzyme also increases the efficacy of calcite crystal as the binder materials. The low calcite content promotes the high strength of the soil. The strength of 300 kPa is obtained in the presence of 2% of calcite content within the soil. The result of this study elucidated that substitution of soybean to jack bean extract is the potential and valuable alternative to improve the applicability of calcite precipitation method as soil improvement technique.

Keywords: calcite precipitation, jack bean, soil improvement, soybean

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Authors: Nordila Ahmad, Thamer Mohammad, Bruce W. Melville, Zuliziana Suif

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Current methods for predicting local scour at wide bridge piers, were developed on the basis of laboratory studies and very limited scour prediction were tested with field data. Laboratory wide pier scour equation from previous findings with field data were presented. A wide range of field data were used and it consists of both live-bed and clear-water scour. A method for assessing the quality of the data was developed and applied to the data set. Three other wide pier-scour equations from the literature were used to compare the performance of each predictive method. The best-performing scour equation were analyzed using statistical analysis. Comparisons of computed and observed scour depths indicate that the equation from the previous publication produced the smallest discrepancy ratio and RMSE value when compared with the large amount of laboratory and field data.

Keywords: field data, local scour, scour equation, wide piers

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Authors: Arkadiusz P. Wójcik, Tetsuya Sato, Shin-Ichiro Shima, Mateusz Malanowski

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Over the last decades, new technologies have significantly changed the way information is transmitted and stored. Renewable energy sources have become prevalent and affordable. Cooperation of the Information and Communication Technology industry and Renewable Energy industry makes it possible to create a next generation, decentralized power grid. In this context, the study seeks to identify the wider benefits to the local Japanese economy as a result of the development of a decentralised electricity market. Our general approach aims to integrate an economic analysis (monetary appraisal of costs and benefits to society) with externalities that are not quantifiable in monetary terms (e.g. social impact, environmental impact). The study also highlights opportunities and sets out recommendations for the citizens of the island and the local government. The simulation is the scientific basis for economic impact analysis. Various types of sources of energy have been taken into account: residential wind farm, residential wind turbine, solar farm, residential solar panels and private solar farms. Analysis of local geographic and economic conditions allowed creating a customized business model. Very often farmers on Awaji Island are using crop cycle. During each cycle, one part of the field is resting and replenishing nutrients. In the next year another part of the field is resting. Portable solar panels could be freely set up in this part of the field. At the end of the crop cycle, portable solar panels would be moved to the next resting part. Because of spacious area, for a single household 500 square meters of portable solar panels has been proposed and simulated. The devised simulation shows that the Rate of Return on Investment for solar panels, which are on the island, could reach up to 37.21%. Supposing that about 20% of households install solar panels they could produce 49.11% of the electric energy consumed by households on the island. The analysis shows that rest of the energy supply can be produced by currently existing one huge solar farm and two wind farms to meet 97.59% of demand on electricity for households on the island. Although there are more than 7,000 agricultural fields on the island, young people tend to avoid agricultural work and prefer to move from the island to big cities, live there in little mansions and work until late night. The business model proposed in this study could increase farmer’s monthly income by ¥200,000 - ¥300,000 (1,600 euro – 2,400 euro). Young people could work less and have a higher standard of living than in a city. Creation of a decentralized electricity market can unlock significant benefits in other industries (e.g. electric vehicles), providing a welcome boost to economic growth, jobs and quality of life.

Keywords: digital twin, Matlab, model-based systems engineering, simulink, smart grid, systems engineering

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Authors: Faisal Al Yahmadi, Muhammad R. Ahmed

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Electric power is a fundamental necessity in the 21^st century. Consequently, any break in electric power is probably going to affect the general activity. To make the power supply smooth and efficient, a smart grid network is introduced which uses communication technology. In any communication network, security is essential. It has been observed from several recent incidents that adversary causes an interruption to the operation of networks. In order to resolve the issues, it is vital to understand the threats and vulnerabilities associated with the smart grid networks. In this paper, we have investigated the threats and vulnerabilities in Smart Grid Networks (SGN) and the few solutions in the literature. Proposed solutions showed developments in electricity theft countermeasures, Denial of services attacks (DoS) and malicious injection attacks detection model, as well as malicious nodes detection using watchdog like techniques and other solutions.

Keywords: smart grid network, security, threats, vulnerabilities

Procedia PDF Downloads 139

Authors: Majid Hejazian, Nam-Trung Nguyen

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Over the past few years, microfluidic devices have generated significant attention from industry and academia due to advantages such as small sample volume, low cost and high efficiency. Microfluidic devices have applications in chemical, biological and industry analysis and can facilitate assay of bio-materials and chemical reactions, separation, and sensing. Micromixers are one of the important microfluidic concepts. Micromixers can work as stand-alone devices or be integrated in a more complex microfluidic system such as a lab on a chip (LOC). Micromixers are categorized as passive and active types. Passive micromixers rely only on the arrangement of the phases to be mixed and contain no moving parts and require no energy. Active micromixers require external fields such as pressure, temperature, electric and acoustic fields. Rapid and efficient mixing is important for many applications such as biological, chemical and biochemical analysis. Achieving fast and homogenous mixing of multiple samples in the microfluidic devices has been studied and discussed in the literature recently. Improvement in mixing rely on effective mass transport in microscale, but are currently limited to molecular diffusion due to the predominant laminar flow in this size scale. Using magnetic field to elevate mass transport is an effective solution for mixing enhancement in microfluidics. The use of a non-uniform magnetic field to improve mass transfer performance in a microfluidic device is demonstrated in this work. The phenomenon of mixing ferrofluid and DI-water streams has been reported before, but mass transfer enhancement for other non-magnetic species through magnetic field have not been studied and evaluated extensively. In the present work, permanent magnets were used in a simple microfluidic device to create a non-uniform magnetic field. Two streams are introduced into the microchannel: one contains fluorescent dye mixed with diluted ferrofluid to induce enhanced mass transport of the dye, and the other one is a non-magnetic DI-water stream. Mass transport enhancement of fluorescent dye is evaluated using fluorescent measurement techniques. The concentration field is measured for different flow rates. Due to effect of magnetic field, a body force is exerted on the paramagnetic stream and expands the ferrofluid stream into non-magnetic DI-water flow. The experimental results demonstrate that without a magnetic field, both magnetic nanoparticles of the ferrofluid and the fluorescent dye solely rely on molecular diffusion to spread. The non-uniform magnetic field, created by the permanent magnets around the microchannel, and diluted ferrofluid can improve mass transport of non-magnetic solutes in a microfluidic device. The susceptibility mismatch between the fluids results in a magnetoconvective secondary flow towards the magnets and subsequently the mass transport of the non-magnetic fluorescent dye. A significant enhancement in mass transport of the fluorescent dye was observed. The platform presented here could be used as a microfluidics-based micromixer for chemical and biological applications.

Keywords: ferrofluid, mass transfer, micromixer, microfluidics, magnetic

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Authors: Andreas Gohs, Reinhold Kosfeld

Abstract:

This study should be of interest for practitioners who want to predict precisely the sales numbers of vehicles equipped with an innovative propulsion technology as well as for researchers interested in applied (regional) time series analysis. The study is based on the numbers of new registrations of pure electric and hybrid cars. Methods of time series analysis like ARIMA are compared with the Bass Diffusion-model concerning their forecasting performances for new registrations in Germany at the national and federal state levels. Especially it is investigated if the additional information content from regional data increases the forecasting accuracy for the national level by adding predictions for the federal states. Results of parameters of the Bass Diffusion Model estimated for Germany and its sixteen federal states are reported. While the focus of this research is on the German market, estimation results are also provided for selected European and other countries. Concerning Bass-parameters and forecasting performances, we get very different results for Germany's federal states and the member states of the European Union. This corresponds to differences across the EU-member states in the adoption process of this innovative technology. Concerning the German market, the adoption is rather proceeded in southern Germany and stays behind in Eastern Germany except for Berlin.

Keywords: bass diffusion model, electric vehicles, forecasting performance, market diffusion

Procedia PDF Downloads 166

Authors: N. Massoum, B. Bouazza

Abstract:

In this paper, we have developed a numerical simulation model to describe the electrical properties of GaInP MESFET with submicron gate (Lg = 0.5 µm). This model takes into account the three-dimensional (3D) distribution of the load in the short channel and the law effect of mobility as a function of electric field. Simulation software based on a stochastic method such as Monte Carlo has been established. The results are discussed and compared with those of the experiment. The result suggests experimentally that, in a very small gate length in our devices (smaller than 40 nm), short-channel tunneling explains the degradation of transistor performance, which was previously enhanced by velocity overshoot.

Keywords: Monte Carlo simulation, transient electron transport, MESFET device, simulation software

Procedia PDF Downloads 513

Authors: Kirill D. Kapustin, Mikhail B. Krasilnikov, Anatoly A. Kudryavtsev

Abstract:

Physical formation mechanisms of differential electron fluxes is high pressure positive column gas discharge are discussed. It is shown that the spatial differential fluxes of the electrons are directed both inward and outward depending on the energy relaxation law. In some cases the direction of energy differential flux at intermediate energies (5-10eV) in whole volume, except region near the wall, appeared to be down directed, so electron in this region dissipate more energy than gain from axial electric field. Paradoxical behaviour of electron flux in spatial-energy space is presented.

Keywords: plasma kinetics, electron distribution function, excitation and radiation rates, local and nonlocal EDF

Procedia PDF Downloads 400

Authors: Suchitra Sivakumar, Hajime Shingyouchi, Toshinori Okajima, Kyohei Yamaguchi, Jin Kusaka

Abstract:

The progressing need for powertrain electrification calls for more accurate and reliable simulation models. A battery pack serves as the most vital component for energy storage in an electrified powertrain. Hybrid electric vehicles (HEV) do not behave the same way as they age, and there are several environmental factors that account for the degradation of the battery on a system level. Therefore, in this work, a battery model was proposed to study the state of charge (SOC) variation and the internal dynamic changes that contribute to aging and performance degradation in HEV batteries. An equivalent circuit battery model (ECM) is built using MATLAB Simulink to investigate the output characteristics of the lithium-ion battery. The ECM comprises of circuit elements like a voltage source, a series resistor and a parallel RC network connected in series. A parameter estimation study is conducted on the ECM to study the dependencies of the circuit elements with the state of charge (SOC) and the terminal voltage of the battery. The battery model is extended to simulate the temperature dependence of the individual battery cell and the battery pack with the environment. The temperature dependence model accounts for the heat loss due to internal resistance build up in the battery pack during charging, discharging, and due to atmospheric temperature. The model was validated for a lithium-ion battery pack with an independent drive cycle showing a voltage accuracy of 4% and SOC accuracy of about 2%.

Keywords: battery model, hybrid electric vehicle, lithium-ion battery, thermal model

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Authors: Selma Saadia, Nacira Naar, Ahmed Benaboura

Abstract:

This work is dedicated to the elaboration of composites (PP/PANI) with Polypropylene (PP) as thermoplastic polymer and the polyaniline (PANI) as electric charge doped with sulfanilic acid (PANI-As). These realized formulations are intended for the antistatic domain. The used conductive polymer is synthesized by the method self-curling which proved the obtaining of the nanoparticles of PANI in regular morphological forms. The PANI and PP composites are fabricated into a film by a twin-screw extruding. Several methods of characterization are proposed: spectroscopic, thermal, and electric. The realized composites proved a pseudo-homogeneous aspect and the threshold percolation study, showed that the formulation with 7% of PANI presents a better formulation which can be used in the antistatic domain.

Keywords: extruding, PANI, Polypropylene, sulfanilic acid, self-Curling

Procedia PDF Downloads 244

Authors: Brahim Mahfoud

Abstract:

A three-dimensional (3D) numerical technique is used to investigate the possibility of reducing the price of manufacturing some silicon-based devices, particularly those in which minor temperature gradients can significantly reduce performance. The silicon melt under the magnetic field produces Lorentz force, which can effectively suppress the flow which is caused by temperature gradients. This might allow some silicon-based products, such as solar cells, to be manufactured using a less pure, and hence less expensive. The thermocapillary effect of the silicon melt flow in thin annular pools subjected to an externally induced magnetic field was observed. The results reveal that with a strong enough magnetic field, isothermal lines change form and become concentric circles. As the amplitude of the magnetic field (Ha) grows, the azimuthal velocity and temperature at the free surface reduce, and the asymmetric 3D flow becomes axisymmetric steady when Ha surpasses a threshold value.

Keywords: magnetic field, manufacturing, silicon melt, thermocapillary

Procedia PDF Downloads 84