Search results for: urban energy modelling with INSEL
1751 Wear Performance of SLM Fabricated 1.2709 Steel Nanocomposite Reinforced by TiC-WC for Mould and Tooling Applications
Authors: Daniel Ferreira, José M. Marques Oliveira, Filipe Oliveira
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Wear phenomena is critical in injection moulding processes, causing failure of the components, and making the parts more expensive with an additional wasting time. When very abrasive materials are being injected inside the steel mould’s cavities, such as polymers reinforced with abrasive fibres, the consequences of the wear are more evident. Maraging steel (1.2709) is commonly employed in moulding components to resist in very aggressive injection conditions. In this work, the wear performance of the SLM produced 1.2709 maraging steel reinforced by ultrafine titanium and tungsten carbide (TiC-WC), was investigated using a pin-on-disk testing apparatus. A polypropylene reinforced with 40 wt.% fibreglass (PP40) disk, was used as the counterpart material. The wear tests were performed at 40 N constant load and 0.4 ms-1 sliding speed at room temperature and humidity conditions. The experimental results demonstrated that the wear rate in the 18Ni300-TiC-WC composite is lower than the unreinforced 18Ni300 matrix. The morphology and chemical composition of the worn surfaces was observed by 3D optical profilometry and scanning electron microscopy (SEM), respectively. The resulting debris, caused by friction, were also analysed by SEM and energy dispersive X-ray spectroscopy (EDS). Their morphology showed distinct shapes and sizes, which indicated that the wear mechanisms, may be different in maraging steel produced by casting and SLM. The coefficient of friction (COF) was recorded during the tests, which helped to elucidate the wear mechanisms involved.Keywords: selective laser melting, nanocomposites, injection moulding, polypropylene with fibreglass
Procedia PDF Downloads 1551750 Rethinking Gender Roles within the Family: Single Fathers and the Domestic Sphere
Authors: Mohamad Chour
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Nowadays, a record number of households are headed by single fathers in most of the European societies. Our research aims to explore how French single fathers experience the domestic sphere, a traditionally feminized field while accomplishing their role of fathers. We adopt a gender role and a parenting role construction theoretical perspectives. Indeed, the interior domestic sphere has been traditionally considered as related to the role of the mother. Moreover, according to the masculine domination theory of Bourdieu, men avoid caregiving and domestic practices that are economically and culturally undervalued. Hence, mothers are considered as more likely to handle the expressive dimension of duties whereas fathers’ role is represented as instrumental, functional and independent. Long interviews have been conducted with twenty French single fathers in order to investigate how the absence of the mother affects the practices of fatherhood. We combined the long interviews with projective techniques method in order to better understand their conception of the family and their family values. Seeking a qualitative diversity, our respondents are from various ages (between 30 and 60); they are coming from different regions in France; living in rural, semi-rural and urban areas. Based on the analysis of 427 pages of data, we identify three main categories of single fathers depending on their strategies to copy and/or delegate the role of the mother. 1) Nurturing fathers completely assume the role of the absent mother as well as her functions. Their discourse is characterized by abnegation and sacrifices reflecting a nurturing role. 2) Juggling fathers are those who take charge of a part of the household duties and delegate the other part to the market or to 'feminine resources' for lacking skills or time. 3) Resistant fathers are the very few respondents who refuse to assume any activities related to the domestic sphere that they perceive as feminine. For lacking competences and even for ideological reasons, they have tendency to delegate all the tasks that were assumed by their ex-spouses. Generally, the majority of fathers seem to experience the domestic sphere differently, and their domestic involvement has been underestimated and even misunderstood. Household duties such as cooking and housekeeping in addition to the nurturing role are experienced by many of the respondents as constructing elements of their fatherhood. Our respondents do not seem to accomplish house holding duties in a functional way. The domestic sphere is managed by those fathers with a strong dimension of abnegation. Thus, our research contributes to illustrating the evolution of gender roles and shows how being simultaneously 'a father and a mother' seems to be an emerging social norm in a French and European cultural context.Keywords: fathering, gender roles, gender studies, identity construction, single fathers
Procedia PDF Downloads 1331749 Moral Identity and Moral Attentiveness as Predictors of Ethical Leadership in Financial Sector
Authors: Pilar Gamarra Gamarra, Michele Girotto
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In the expanding field of leaders’ ethical behavior research, little attention has been paid to the association between finance leaders’ ethical traits (beyond personality) and ethical leadership, and more importantly, how these ethical characteristics can be predictors of ethical behavior at the leadership level in the financial sector. In this study, we tested a theoretical model based on uponsocial cognitive theory (Bandura, 1986) and the cognitive-developmental model (Piaget, 1932) to examine leaders’ moral identity and moral attentiveness as antecedents of ethical leadership. After the 2008 economic crisis, the marketplace has awakened to the potential dangers of unethical behavior. The unethical behavior of the leaders of the financial sector was identified as guilty of this economic catastrophe. For that reason, it seems increasingly prudent for organizations to have leaders who are cognitively inclined toward ethical behavior. This evidence suggests that moral attentiveness and moral identity is perhaps one way of identifying those kinds of leaders. For leaders who are morally attentive and have a high moral identity, themes of ethics interventions are consistent with their way of seeing the word. As a result, these leaders could become critical components of change in organizations and could provide the energy and skills necessary for these efforts to be successful. Ethical behavior of leader from the financial sector and marketing sectors must be joined to manage the change. In this study, a leader’s moral identity, leader’s moral attentiveness, and self-importance of Ethical Leadership are measured for financial and marketing leaders to be compared to determine the relationship between the three variables in each sector. Other conclusion related to gender, educational level or generation are obtained.Keywords: ethical leadership, moral identity, moral attentiveness, financial leaders, marketing leaders, ethical behavior
Procedia PDF Downloads 1751748 Four Museums for One (Hi) Story
Authors: Sheyla Moroni
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A number of scholars around the world have analyzed the great architectural and urban planning revolution proposed by Skopje 2014, but so far, there are no readings of the parallels between the museums in the Balkan area (including Greece) that share the same name as the museum at the center of that political and cultural revolution. In the former FYROM (now renamed North Macedonia), a museum called "Macedonian Struggle" was born during the reconstruction of the city of Skopje as the new "national" capital. This new museum was built under the "Skopje 2014" plan and cost about 560 million euros (1/3 of the country's GDP). It has been a "flagship" of the government of Nikola Gruevski, leader of the nationalist VMRO-DPMNE party. Until 2016 this museum was close to the motivations of the Macedonian nationalist movement (and later party) active (including terrorist actions) during the 19th and 20th centuries. The museum served to narrate a new "nation-building" after "state-building" had already taken place. But there are three other museums that tell the story of the "Macedonian struggle" by understanding "Macedonia" as a territory other than present-day North Macedonia. The first one is located in Thessaloniki and primarily commemorates the "Greek battle" against the Ottoman Empire. While the first uses a new dark building and many reconstructed rooms and shows the bloody history of the quest for "freedom" for the Macedonian language and people (different from Greeks, Albanians, and Bulgarians), the second is located in an old building in Thessaloniki and in its six rooms on the ground floor graphically illustrates the modern and contemporary history of Greek Macedonia. There are also third and fourth museums: in Kastoria (toward the Albanian border) and in Chromio (near the Greek-North Macedonian border). These two museums (Kastoria and Chromio) are smaller, but they mark two important borders for the (Greek) regions bordering Albania to the east and dividing it to the northwest not only from the Ottoman past but also from two communities felt to be "foreign" (Albanians and former Yugoslav Macedonians). All museums reconstruct a different "national edifice" and emphasize the themes of language and religion. The objective of the research is to understand, through four museums bearing the same name, what are the main "mental boundaries" (religious, linguistic, cultural) of the different states (reconstructed between the late 19th century and 1991). Both classical historiographic methodology (very different between Balkan and "Western" areas) and on-site observation and interactions with different sites are used in this research. An attempt is made to highlight four different political focuses with respect to nation-building and the Public History (and/or propaganda) approaches applied in the construction of these buildings and memorials tendency often that one "defines" oneself by differences from "others" (even if close).Keywords: nationalisms, museum, nation building, public history
Procedia PDF Downloads 841747 A Comprehensive Review of Artificial Intelligence Applications in Sustainable Building
Authors: Yazan Al-Kofahi, Jamal Alqawasmi.
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In this study, a comprehensive literature review (SLR) was conducted, with the main goal of assessing the existing literature about how artificial intelligence (AI), machine learning (ML), deep learning (DL) models are used in sustainable architecture applications and issues including thermal comfort satisfaction, energy efficiency, cost prediction and many others issues. For this reason, the search strategy was initiated by using different databases, including Scopus, Springer and Google Scholar. The inclusion criteria were used by two research strings related to DL, ML and sustainable architecture. Moreover, the timeframe for the inclusion of the papers was open, even though most of the papers were conducted in the previous four years. As a paper filtration strategy, conferences and books were excluded from database search results. Using these inclusion and exclusion criteria, the search was conducted, and a sample of 59 papers was selected as the final included papers in the analysis. The data extraction phase was basically to extract the needed data from these papers, which were analyzed and correlated. The results of this SLR showed that there are many applications of ML and DL in Sustainable buildings, and that this topic is currently trendy. It was found that most of the papers focused their discussions on addressing Environmental Sustainability issues and factors using machine learning predictive models, with a particular emphasis on the use of Decision Tree algorithms. Moreover, it was found that the Random Forest repressor demonstrates strong performance across all feature selection groups in terms of cost prediction of the building as a machine-learning predictive model.Keywords: machine learning, deep learning, artificial intelligence, sustainable building
Procedia PDF Downloads 671746 Biaxial Fatigue Specimen Design and Testing Rig Development
Authors: Ahmed H. Elkholy
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An elastic analysis is developed to obtain the distribution of stresses, strains, bending moment and deformation for a thin hollow, variable thickness cylindrical specimen when subjected to different biaxial loadings. The specimen was subjected to a combination of internal pressure, axial tensile loading and external pressure. Several axial to circumferential stress ratios were investigated in detail. The analytical model was then validated using experimental results obtained from a test rig using several biaxial loadings. Based on the preliminary results obtained, the specimen was then modified geometrically to ensure uniform strain distribution through its wall thickness and along its gauge length. The new design of the specimen has a higher buckling strength and a maximum value of equivalent stress according to the maximum distortion energy theory. A cyclic function generator of the standard servo-controlled, electro-hydraulic testing machine is used to generate a specific signal shape (sine, square,…) at a certain frequency. The two independent controllers of the electronic circuit cause an independent movement to each servo-valve piston. The movement of each piston pressurizes the upper and lower sides of the actuators alternately. So, the specimen will be subjected to axial and diametral loads independent of each other. The hydraulic system has two different pressures: one pressure will be responsible for axial stress produced in the specimen and the other will be responsible for the tangential stress. Changing the two pressure ratios will change the stress ratios accordingly. The only restriction on the maximum stress obtained is the capacity of the testing system and specimen instability due to buckling.Keywords: biaxial, fatigue, stress, testing
Procedia PDF Downloads 1281745 Numerical Study on Response of Polymer Electrolyte Fuel Cell (PEFCs) with Defects under Different Load Conditions
Authors: Muhammad Faizan Chinannai, Jaeseung Lee, Mohamed Hassan Gundu, Hyunchul Ju
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Fuel cell is known to be an effective renewable energy resource which is commercializing in the present era. It is really important to know about the improvement in performance even when the system faces some defects. This study was carried out to analyze the performance of the Polymer electrolyte fuel cell (PEFCs) under different operating conditions such as current density, relative humidity and Pt loadings considering defects with load changes. The purpose of this study is to analyze the response of the fuel cell system with defects in Balance of Plants (BOPs) and catalyst layer (CL) degradation by maintaining the coolant flow rate as such to preserve the cell temperature at the required level. Multi-Scale Simulation of 3D two-phase PEFC model with coolant was carried out under different load conditions. For detailed analysis and performance comparison, extensive contours of temperature, current density, water content, and relative humidity are provided. The simulation results of the different cases are compared with the reference data. Hence the response of the fuel cell stack with defects in BOP and CL degradations can be analyzed by the temperature difference between the coolant outlet and membrane electrode assembly. The results showed that the Failure of the humidifier increases High-Frequency Resistance (HFR), air flow defects and CL degradation results in the non-uniformity of current density distribution and high cathode activation overpotential, respectively.Keywords: PEM fuel cell, fuel cell modeling, performance analysis, BOP components, current density distribution, degradation
Procedia PDF Downloads 2141744 Modeling Atmospheric Correction for Global Navigation Satellite System Signal to Improve Urban Cadastre 3D Positional Accuracy Case of: TANA and ADIS IGS Stations
Authors: Asmamaw Yehun
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The name “TANA” is one of International Geodetic Service (IGS) Global Positioning System (GPS) station which is found in Bahir Dar University in Institute of Land Administration. The station name taken from one of big Lakes in Africa ,Lake Tana. The Institute of Land Administration (ILA) is part of Bahir Dar University, located in the capital of the Amhara National Regional State, Bahir Dar. The institute is the first of its kind in East Africa. The station is installed by cooperation of ILA and Sweden International Development Agency (SIDA) fund support. The Continues Operating Reference Station (CORS) is a network of stations that provide global satellite system navigation data to help three dimensional positioning, meteorology, space, weather, and geophysical applications throughout the globe. TANA station was as CORS since 2013 and sites are independently owned and operated by governments, research and education facilities and others. The data collected by the reference station is downloadable through Internet for post processing purpose by interested parties who carry out GNSS measurements and want to achieve a higher accuracy. We made a first observation on TANA, monitor stations on May 29th 2013. We used Leica 1200 receivers and AX1202GG antennas and made observations from 11:30 until 15:20 for about 3h 50minutes. Processing of data was done in an automatic post processing service CSRS-PPP by Natural Resources Canada (NRCan) . Post processing was done June 27th 2013 so precise ephemeris was used 30 days after observation. We found Latitude (ITRF08): 11 34 08.6573 (dms) / 0.008 (m), Longitude (ITRF08): 37 19 44.7811 (dms) / 0.018 (m) and Ellipsoidal Height (ITRF08): 1850.958 (m) / 0.037 (m). We were compared this result with GAMIT/GLOBK processed data and it was very closed and accurate. TANA station is one of the second IGS station for Ethiopia since 2015 up to now. It provides data for any civilian users, researchers, governmental and nongovernmental users. TANA station is installed with very advanced choke ring antenna and GR25 Leica receiver and also the site is very good for satellite accessibility. In order to test hydrostatic and wet zenith delay for positional data quality, we used GAMIT/GLOBK and we found that TANA station is the most accurate IGS station in East Africa. Due to lower tropospheric zenith and ionospheric delay, TANA and ADIS IGS stations has 2 and 1.9 meters 3D positional accuracy respectively.Keywords: atmosphere, GNSS, neutral atmosphere, precipitable water vapour
Procedia PDF Downloads 691743 Medical Nutritional Therapy in Human Immunodeficiency Virus Infection with Tuberculosis and Severe Malnutrition: A Case Report
Authors: Lista Andriyati, Nurpudji A Taslim
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The human immunodeficiency virus (HIV) patients have potential nutritional and metabolic problems. HIV is a virus that attacks cells T helper and impairs the function of immune cells. Infected individuals gradually become immunodeficient, results in increased susceptibility to a wide range of infections such as tuberculosis (TB). Malnutrition has destructive effects on the immune system and host defense mechanisms. Effective and proper nutritional therapies are important to improve medical outcomes and quality of life, which is associated with functional improvement. A case of 38-years old man admitted to hospital with loss of consciousness and was diagnosed HIV infection and relapse lung TB with severe malnutrition, fever, oral candidiasis, anemia (6.3 g/dL), severe hypoalbuminemia (1.9 g/dL), severe hypokalemia (2.2 mmol/L), immune depletion (1085 /µL) and elevated liver enzyme (ALT 1198/AST 375 U/L). Nutritional intervention by giving 2300 kcal of energy, protein 2 g/IBW/day, carbohydrate 350 g, fat 104 g through enteral and parenteral nutrition. Supplementations administered are zinc, vitamin A, vitamin B1, vitamin B6, vitamin B12, vitamin C, vitamin D, and snakehead fish extract high content of protein albumin (Pujimin®). After 46 days, there are clinical and metabolic improvement in Hb (6.3 to 11.2 g/dL), potassium (2.2 to 3.4 mmol/L), albumin (1.9 to 2.3 g/dL), ALT 1198 to 47/AST 375 to 68 U/L) and improved awareness. In conclusion, nutritional therapy in HIV infection with adequate macronutrients and micronutrients fulfillment and immunonutrition is very important to avoid cachexia and to improve nutritional status and immune disfunction.Keywords: HIV, hypoalbuminemia, malnutrition, tuberculosis
Procedia PDF Downloads 1301742 Drastic Increase of Wave Dissipation within Metastructures Having Negative Stiffness Inclusions
Authors: D. Chronopoulos, I. Antoniadis, V. Spitas, D. Koulocheris, V. Polenta
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A concept of a simple linear oscillator, incorporating a negative stiffness element is demonstrated to exhibit extraordinary damping properties. This oscillator shares the same overall (static) stiffness, the same mass and the same damping element with a reference classical linear SDOF oscillator. However, it differs from the original SDOF oscillator by appropriately redistributing the component spring stiffness elements and by re-allocating the damping element. Despite the fact that the proposed oscillator incorporates a negative stiffness element, it is designed to be both statically and dynamically stable. Once such an oscillator is optimally designed, it is shown to exhibit an extraordinary apparent damping ratio, which is even several orders of magnitude higher than that of the original SDOF system, especially in cases where the original damping of the SDOF system is low. This damping behavior is not a result of a novel additional extraordinary energy dissipation mechanism, but a result of the phase difference between the positive and the negative stiffness elastic forces, which is in turn a consequence of the proper re-distribution of the stiffness and the damper elements. This fact ensures that an adequate level of elastic forces exists throughout the entire frequency range, able to counteract the inertial and the excitation forces. Next, Acoustic or Phononic Meta-materials are considered, in which one atom is replaced by the concept of the above simple linear oscillator. The results indicate that not only the damping of the meta-material verifies and exceeds the one expected from the so-called "meta-damping" behavior, but also that the band gap of the meta-material can be significantly increased.Keywords: wave propagation, periodic structures, wave damping, mechanical engineering
Procedia PDF Downloads 3571741 Pozzolanic Properties of Synthetic Zeolites as Materials Used for the Production of Building Materials
Authors: Joanna Styczen, Wojciech Franus
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Currently, cement production reaches 3-6 Gt per year. The production of one ton of cement is associated with the emission of 0.5 to 1 ton of carbon dioxide into the atmosphere, which means that this process is responsible for 5% of global CO2 emissions. Simply improving the cement manufacturing process is not enough. An effective solution is the use of pozzolanic materials, which can partly replace clinker and thus reduce energy consumption, and emission of pollutants and give mortars the desired characteristics, shaping their microstructure. Pozzolanic additives modify the phase composition of cement, reducing the amount of portlandite and changing the CaO/SiO2 ratio in the C-S-H phase. Zeolites are a pozzolanic additive that is not commonly used. Three types of zeolites were synthesized in work: Na-A, sodalite and ZSM-5 (these zeolites come from three different structural groups). Zeolites were obtained by hydrothermal synthesis of fly ash in an aqueous NaOH solution. Then, the pozzolanicity of the obtained materials was assessed. The pozzolanic activity of the zeolites synthesized for testing was tested by chemical methods in accordance with the ASTM C 379-65 standard. The method consisted in determining the percentage content of active ingredients (soluble silicon oxide and aluminum).in alkaline solutions, i.e. those that are potentially reactive towards calcium hydroxide. The highest amount of active silica was found in zeolite ZSM-5 - 88.15%. The amount of active Al2O3 was small - 1%. The smallest pozzolanic activity was found in the Na-A zeolite (active SiO2 - 4.4%, and active Al2O3 - 2.52). The tests carried out using the XRD, SEM, XRF and textural tests showed that the obtained zeolites are characterized by high porosity, which makes them a valuable addition to mortars.Keywords: pozzolanic properties, hydration, zeolite, alite
Procedia PDF Downloads 781740 The DAQ Debugger for iFDAQ of the COMPASS Experiment
Authors: Y. Bai, M. Bodlak, V. Frolov, S. Huber, V. Jary, I. Konorov, D. Levit, J. Novy, D. Steffen, O. Subrt, M. Virius
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In general, state-of-the-art Data Acquisition Systems (DAQ) in high energy physics experiments must satisfy high requirements in terms of reliability, efficiency and data rate capability. This paper presents the development and deployment of a debugging tool named DAQ Debugger for the intelligent, FPGA-based Data Acquisition System (iFDAQ) of the COMPASS experiment at CERN. Utilizing a hardware event builder, the iFDAQ is designed to be able to readout data at the average maximum rate of 1.5 GB/s of the experiment. In complex softwares, such as the iFDAQ, having thousands of lines of code, the debugging process is absolutely essential to reveal all software issues. Unfortunately, conventional debugging of the iFDAQ is not possible during the real data taking. The DAQ Debugger is a tool for identifying a problem, isolating the source of the problem, and then either correcting the problem or determining a way to work around it. It provides the layer for an easy integration to any process and has no impact on the process performance. Based on handling of system signals, the DAQ Debugger represents an alternative to conventional debuggers provided by most integrated development environments. Whenever problem occurs, it generates reports containing all necessary information important for a deeper investigation and analysis. The DAQ Debugger was fully incorporated to all processes in the iFDAQ during the run 2016. It helped to reveal remaining software issues and improved significantly the stability of the system in comparison with the previous run. In the paper, we present the DAQ Debugger from several insights and discuss it in a detailed way.Keywords: DAQ Debugger, data acquisition system, FPGA, system signals, Qt framework
Procedia PDF Downloads 2841739 Molecular-Dynamics Study of H₂-C₃H₈-Hydrate Dissociation: Non-Equilibrium Analysis
Authors: Mohammad Reza Ghaani, Niall English
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Hydrogen is looked upon as the next-generation clean-energy carrier; the search for an efficient material and method for storing hydrogen has been, and is, pursued relentlessly. Clathrate hydrates are inclusion compounds wherein guest gas molecules like hydrogen are trapped in a host water-lattice framework. These types of materials can be categorised as potentially attractive hosting environments for physical hydrogen storage (i.e., no chemical reaction upon storage). Non-equilibrium molecular dynamics (NEMD) simulations have been performed to investigate thermal-driven break-up of propane-hydrate interfaces with liquid water at 270-300 K, with the propane hydrate containing either one or no hydrogen molecule in each of its small cavities. In addition, two types of hydrate-surface water-lattice molecular termination were adopted, at the hydrate edge with water: a 001-direct surface cleavage and one with completed cages. The geometric hydrate-ice-liquid distinction criteria of Báez and Clancy were employed to distinguish between the hydrate, ice lattices, and liquid-phase. Consequently, the melting temperatures of interface were estimated, and dissociation rates were observed to be strongly dependent on temperature, with higher dissociation rates at larger over-temperatures vis-à-vis melting. The different hydrate-edge terminations for the hydrate-water interface led to statistically-significant differences in the observed melting point and dissociation profile: it was found that the clathrate with the planar interface melts at around 280 K, whilst the melting temperature of the cage-completed interface was determined to be circa 270 K.Keywords: hydrogen storage, clathrate hydrate, molecular dynamics, thermal dissociation
Procedia PDF Downloads 2761738 Super-Exchange Coupling in Oxygen Rich Rare-Earth Based Sm₂MnRuO₆₊δ Double Perovskite
Authors: S. Nqayi, B. Sondezi
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A rare-earth-based Sm₂MnRuO₆₊δ (SMRO) double perovskite was prepared using a high-temperature solid-state reaction. The structural, morphological, chemical, thermodynamic, and magnetic properties were measured with X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), X-ray photoemission spectroscopy (XPS), and vibrating sample magnetometer (VSM), respectively. The XRD revealed a tetragonal structure belonging to the I4/mmm space group, number 139, with linear Mn−O−Ru bonds. Replacing the well-studied alkaline earth metal with a rare-earth element increased the Mn-O bond length difference between the shorter equatorial (Mn-Oab) and the axial (Mn-Oc) bonds by approximately 6.3%. The elemental composition showed an O-rich double perovskite with a Ru deficit, which encourages the formation of a Ru⁶⁺ (d²) state. XPS spectra of Sm-3d, Ru-3d, and Mn-2p revealed the coexistence of a double oxidation state for each cation; Sm²⁺, Sm³⁺, Ru³⁺, Ru⁶⁺, Mn²⁺ , and Mn³⁺, in varying proportions. Entropy studies showed drastic ordering of spins at low temperatures (up to 12.4 K), whilst increasing temperatures above this point resulted in a drastic increase of disorder of the spins (up to 43.26 K), beyond which a constant slope of entropy is observed. Magnetic measurements revealed two magnetic ground states at TN = 12.4 K and TC = 43.3 K ordering antiferromagnetically (AFM) and ferromagnetically (FM), respectively. Kneller fit further showed that the materials become completely paramagnetic at TB = 88.1 K, (the blocking temperature). The existence of ferromagnetic (FM) super-exchange coupling in this work originating from Mn³⁺ (t³₂𝓰e¹𝓰)−O−Ru³⁺ (t⁵₂𝓰e⁰𝓰) and Mn²⁺ (t³₂𝓰e²𝓰−O−Ru⁶⁺ (t²₂𝓰e⁰𝓰) which plays an important role in suppressing the Mn/Ru−O−Mn/Ru antiferromagnetic (AFM) interactions.Keywords: solid-state reaction, super-exchange coupling, ferromagnetic, Kneller’s law, entropy
Procedia PDF Downloads 201737 Usage of Biosorbent Material for the Removal of Nitrate from Wastewater
Authors: M. Abouleish, R. Umer, Z. Sara
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Nitrate can cause serious environmental and human health problems. Effluent from different industries and excessive use of fertilizers have increased the level of nitrate in ground and surface water. Nitrate can convert to nitrite in the body, and as a result, can lead to Methemoglobinemia and cancer. Therefore, different organizations have set standard limits for nitrate and nitrite. The United States Environmental Protection Agency (USEPA) has set a Maximum Contaminant Level Goal (MCLG) of 10 mg N/L for nitrate and 1 mg N/L for nitrite. The removal of nitrate from water and wastewater is very important to ensure the availability of clean water. Different plant materials such as banana peel, rice hull, coconut and bamboo shells, have been studied as biosorbents for the removal of nitrates from water. The use of abundantly existing plant material as an adsorbent material and the lack of energy requirement for the adsorption process makes biosorption a sustainable approach. Therefore, in this research, the fruit of the plant was investigated for its ability to act as a biosorbent to remove the nitrate from wastewater. The effect of pH on nitrate removal was studied using both the raw and chemically activated fruit (adsorbent). Results demonstrated that the adsorbent needs to be chemically activated before usage to remove the nitrate from wastewater. pH did not have a significant effect on the adsorption process, with maximum adsorption of nitrate occurring at pH 4. SEM/EDX results demonstrated that there is no change in the surface of the adsorbent as a result of the chemical activation. Chemical activation of the adsorbent using NaOH increased the removal of nitrate by 6%; therefore, various methods of activation of the adsorbent will be investigated to increase the removal of nitrate.Keywords: biosorption, nitrates, plant material, water, and wastewater treatment
Procedia PDF Downloads 1531736 Marginalized Children's Drawings Speak for Themselves: Self Advocacy for Protecting Their Rights
Authors: Bhavneet Bharti, Prahbhjot Malhi, Vandana Thakur
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Introduction: Children of the urban migrant laborers have great difficulty in accessing government programs which are otherwise routinely available in rural settings. These include programs for child care, nutrition, health and education. There are major communicative fault-lines preventing advocacy for these marginalized children. The overarching aim of this study was to investigate the role of an innovative strategy of children’s drawings in supporting communication between children, social workers, pediatricians and other child advocates to fulfil their fundamental child rights. Materials and Methods: The data was collected over a period of one-year April 2015 to April 2016 during the routine visits by the members of the Social Pediatrics team including a social worker, pediatricians and an artist to the makeshift colony of migrant laborers. Once a week a drawing session was organized where the children including adolescents were asked to any drawing and provide a narrative thereafter. 5-30 children attended these weekly sessions for one year. All these drawings were then classified into various themes and exhibited on 16th April 2016 in the Govt. College of Art Museum. The forum was used for advocacy of Child Rights of these underprivileged children to Secretary social welfare. Results: Mean (SD) age of children in present observational study was 8.5 (2.5) years, with 60% of the boys. Majority of children demonstrated themes which were local and contextualized to their daily needs, threats and festivals which clearly underscored their fundamental right to basic services and equality of opportunities to achieve their full development Drawings of tap with flowing water, queues of people collecting water from hand pumps reflect the local problem of water availability for these children. Young children talking about fear of rape and murder following their drawings indicate the looming threat of potential abuse and neglect. Besides reality driven drawing, children also echoed supernatural beliefs, dangers and festivities in their drawings. Anyone who watched these children at work with art materials was able to see the intense level of absorption, clearly indicating the enjoyment they received, making it a meaningful activity. Indeed, this self-advocacy through art exhibition led to the successful establishment of mobile Anganwadi (A social safety net programme of the government) in their area of stay. Conclusions: This observational study is an example of how children were able to do self-advocacy to protect their rights. Of particular importance, these drawings address how psychologists and other child advocates can ensure in a child-centered manner that the voice of children is heard and represented in all assessments of their well-being and future care options.Keywords: child advocacy, children drawings, child rights, marginalized children
Procedia PDF Downloads 1771735 Interaction Evaluation of Silver Ion and Silver Nanoparticles with Dithizone Complexes Using DFT Calculations and NMR Analysis
Authors: W. Nootcharin, S. Sujittra, K. Mayuso, K. Kornphimol, M. Rawiwan
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Silver has distinct antibacterial properties and has been used as a component of commercial products with many applications. An increasing number of commercial products cause risks of silver effects for human and environment such as the symptoms of Argyria and the release of silver to the environment. Therefore, the detection of silver in the aquatic environment is important. The colorimetric chemosensor is designed by the basic of ligand interactions with a metal ion, leading to the change of signals for the naked-eyes which are very useful method to this application. Dithizone ligand is considered as one of the effective chelating reagents for metal ions due to its high selectivity and sensitivity of a photochromic reaction for silver as well as the linear backbone of dithizone affords the rotation of various isomeric forms. The present study is focused on the conformation and interaction of silver ion and silver nanoparticles (AgNPs) with dithizone using density functional theory (DFT). The interaction parameters were determined in term of binding energy of complexes and the geometry optimization, frequency of the structures and calculation of binding energies using density functional approaches B3LYP and the 6-31G(d,p) basis set. Moreover, the interaction of silver–dithizone complexes was supported by UV–Vis spectroscopy, FT-IR spectrum that was simulated by using B3LYP/6-31G(d,p) and 1H NMR spectra calculation using B3LYP/6-311+G(2d,p) method compared with the experimental data. The results showed the ion exchange interaction between hydrogen of dithizone and silver atom, with minimized binding energies of silver–dithizone interaction. However, the result of AgNPs in the form of complexes with dithizone. Moreover, the AgNPs-dithizone complexes were confirmed by using transmission electron microscope (TEM). Therefore, the results can be the useful information for determination of complex interaction using the analysis of computer simulations.Keywords: silver nanoparticles, dithizone, DFT, NMR
Procedia PDF Downloads 2071734 Emulsified Oil Removal in Produced Water by Graphite-Based Adsorbents Using Adsorption Coupled with Electrochemical Regeneration
Authors: Zohreh Fallah, Edward P. L. Roberts
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One of the big challenges for produced water treatment is removing oil from water in the form of emulsified droplets which are not easily separated. An attractive approach is adsorption, as it is a simple and effective process. However, adsorbents must be regenerated in order to make the process cost effective. Several sorbents have been tested for treating oily wastewater. However, some issues such as high energy consumption for activated carbon thermal regeneration have been reported. Due to their significant electrical conductivity, Graphite Intercalation Compounds (GIC) were found to be suitable to be regenerated electrochemically. They are non-porous materials with low surface area and fast adsorptive capacity which are useful for removal of low concentration of organics. An innovative adsorption/regeneration process has been developed at the University of Manchester in which adsorption of organics are done by using a patented GIC adsorbent coupled with subsequent electrochemical regeneration. The oxidation of adsorbed organics enables 100% regeneration so that the adsorbent can be reused over multiple adsorption cycles. GIC adsorbents are capable of removing a wide range of organics and pollutants; however, no comparable report is available for removal of emulsified oil in produced water using abovementioned process. In this study the performance of this technology for the removal of emulsified oil in wastewater was evaluated. Batch experiments were carried out to determine the adsorption kinetics and equilibrium isotherm for both real produced water and model emulsions. The amount of oil in wastewater was measured by using the toluene extraction/fluorescence analysis before and after adsorption and electrochemical regeneration cycles. It was found that oil in water emulsion could be successfully treated by the treatment process and More than 70% of oil was removed.Keywords: adsorption, electrochemical regeneration, emulsified oil, produced water
Procedia PDF Downloads 5821733 Relationship between Conjugated Linoleic Acid Intake, Biochemical Parameters and Body Fat among Adults and Elderly
Authors: Marcela Menah de Sousa Lima, Victor Ushijima Leone, Natasha Aparecida Grande de Franca, Barbara Santarosa Emo Peters, Ligia Araujo Martini
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Conjugated linoleic acid (CLA) intake has been constantly related to benefits to human health since having a positive effect on reducing body fat. The aim of the present study was to investigate the association between CLA intake and biochemical measurements and body composition of adults and the elderly. Subjects/Methods: 287 adults and elderly participants in an epidemiological study in Sao Paulo Brazil, were included in the present study. Participants had their dietary data obtained by two non-consecutive 24HR, a body composition assessed by dual-energy absorptiometry exam (DXA), and a blood collection. Mean differences and a correlation test was performed. For all statistical tests, a significance of 5% was considered. Results: CLA intake showed a positive correlation with HDL-c levels (r = 0.149; p = 0.011) and negative with VLDL-c levels (r = -0.134; p = 0.023), triglycerides (r = -0.135; p = 0.023) and glycemia (r = -0.171; p = 0.004), as well as negative correlation with visceral adipose tissue (VAT) (r = -0.124, p = 0.036). Evaluating individuals in two groups according to VAT values, a significant difference in CLA intake was observed (p = 0.041), being the group with the highest VAT values, the one with the lowest fatty acid intake. Conclusions: This study suggests that CLA intake is associated with a better lipid profile and lower visceral adipose tissue volume, which contributes to the investigation of the effects of CLA on obesity parameters. However, it is necessary to investigate the effects of CLA from milk and dairy products in the control adiposity.Keywords: adiposity, dairy products, diet, fatty acids
Procedia PDF Downloads 1401732 Beyond Geometry: The Importance of Surface Properties in Space Syntax Research
Authors: Christoph Opperer
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Space syntax is a theory and method for analyzing the spatial layout of buildings and urban environments to understand how they can influence patterns of human movement, social interaction, and behavior. While direct visibility is a key factor in space syntax research, important visual information such as light, color, texture, etc., are typically not considered, even though psychological studies have shown a strong correlation to the human perceptual experience within physical space – with light and color, for example, playing a crucial role in shaping the perception of spaciousness. Furthermore, these surface properties are often the visual features that are most salient and responsible for drawing attention to certain elements within the environment. This paper explores the potential of integrating these factors into general space syntax methods and visibility-based analysis of space, particularly for architectural spatial layouts. To this end, we use a combination of geometric (isovist) and topological (visibility graph) approaches together with image-based methods, allowing a comprehensive exploration of the relationship between spatial geometry, visual aesthetics, and human experience. Custom-coded ray-tracing techniques are employed to generate spherical panorama images, encoding three-dimensional spatial data in the form of two-dimensional images. These images are then processed through computer vision algorithms to generate saliency-maps, which serve as a visual representation of areas most likely to attract human attention based on their visual properties. The maps are subsequently used to weight the vertices of isovists and the visibility graph, placing greater emphasis on areas with high saliency. Compared to traditional methods, our weighted visibility analysis introduces an additional layer of information density by assigning different weights or importance levels to various aspects within the field of view. This extends general space syntax measures to provide a more nuanced understanding of visibility patterns that better reflect the dynamics of human attention and perception. Furthermore, by drawing parallels to traditional isovist and VGA analysis, our weighted approach emphasizes a crucial distinction, which has been pointed out by Ervin and Steinitz: the difference between what is possible to see and what is likely to be seen. Therefore, this paper emphasizes the importance of including surface properties in visibility-based analysis to gain deeper insights into how people interact with their surroundings and to establish a stronger connection with human attention and perception.Keywords: space syntax, visibility analysis, isovist, visibility graph, visual features, human perception, saliency detection, raytracing, spherical images
Procedia PDF Downloads 741731 Comparative Study of Mechanical and Physiological Gait Efficiency Following Anterior Cruciate Ligament Reconstruction
Authors: Radwa E. Sweif, Amira A. A. Abdallah
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Background: Evaluation of gait efficiency is used to examine energy consumption especially in patients with movement disorders. Hypothesis/Purpose: This study compared the physiological and mechanical measures of gait efficiency between patients with ACL reconstruction (ACLR) and healthy controls and correlated among these measures. Methods: Seventeen patients with ACLR and sixteen healthy controls with mean ± SD age 23.06±4.76 vs 24.85±6.47 years, height 173.93±6.54 vs 175.64±7.37cm, and weight 74.25±12.1 vs 76.52±10.14 kg, respectively, participated in the study. The patients were operated on six months prior to testing. They should have completed their accelerated rehabilitation program during this period. A 3D motion analysis system was used for collecting the mechanical measures (Biomechanical Efficiency Quotient (BEQ), the maximum degree of knee internal rotation during stance phase and speed of walking). The physiological measures (Physiological Cost Index (PCI) and Rate of Perceived Exertion (RPE)) were collected after performing the 6- minute walking test. Results: MANOVA showed that the maximum degree of knee internal rotation, PCI, and RPE increased and the speed decreased significantly (p<0.05) in the patients compared with the controls with no significant difference for the BEQ. Finally, there were significant (p<0.05) positive correlations between each of the PCI & RPE and each of the BEQ, speed of walking and the maximum degree of knee internal rotation in each group. Conclusion: It was concluded that there are alterations in both mechanical and physiological measures of gait efficiency in patients with ACLR after being rehabilitated, clarifying the need for performing additional endurance as well as knee stability training programs. Moreover, the positive correlations indicate that using either of the mechanical or physiological measures for evaluating gait efficiency is acceptable.Keywords: ACL reconstruction, mechanical, physiological, gait efficiency
Procedia PDF Downloads 4381730 An Efficient Aptamer-Based Biosensor Developed via Irreversible Pi-Pi Functionalisation of Graphene/Zinc Oxide Nanocomposite
Authors: Sze Shin Low, Michelle T. T. Tan, Poi Sim Khiew, Hwei-San Loh
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An efficient graphene/zinc oxide (PSE-G/ZnO) platform based on pi-pi stacking, non-covalent interactions for the development of aptamer-based biosensor was presented in this study. As a proof of concept, the DNA recognition capability of the as-developed PSE-G/ZnO enhanced aptamer-based biosensor was evaluated using Coconut Cadang-cadang viroid disease (CCCVd). The G/ZnO nanocomposite was synthesised via a simple, green and efficient approach. The pristine graphene was produced through a single step exfoliation of graphite in sonochemical alcohol-water treatment while the zinc nitrate hexahydrate was mixed with the graphene and subjected to low temperature hydrothermal growth. The developed facile, environmental friendly method provided safer synthesis procedure by eliminating the need of harsh reducing chemicals and high temperature. The as-prepared nanocomposite was characterised by X-ray diffractometry (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) to evaluate its crystallinity, morphology and purity. Electrochemical impedance spectroscopy (EIS) was employed for the detection of CCCVd sequence with the use of potassium ferricyanide (K3[Fe(CN)6]). Recognition of the RNA analytes was achieved via the significant increase in resistivity for the double stranded DNA, as compared to single-stranded DNA. The PSE-G/ZnO enhanced aptamer-based biosensor exhibited higher sensitivity than the bare biosensor, attributing to the synergistic effect of high electrical conductivity of graphene and good electroactive property of ZnO.Keywords: aptamer-based biosensor, graphene/zinc oxide nanocomposite, green synthesis, screen printed carbon electrode
Procedia PDF Downloads 3701729 Quantification of Biomethane Potential from Anaerobic Digestion of Food Waste at Vaal University of Technology
Authors: Kgomotso Matobole, Pascal Mwenge, Tumisang Seodigeng
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The global urbanisation and worldwide economic growth have caused a high rate of food waste generation, resulting in environmental pollution. Food waste disposed on landfills decomposes to produce methane (CH4), a greenhouse gas. Inadequate waste management practices contribute to food waste polluting the environment. Thus effective organic fraction of municipal solid waste (OFMSW) management and treatment are attracting widespread attention in many countries. This problem can be minimised by the employment of anaerobic digestion process, since food waste is rich in organic matter and highly biodegradable, resulting in energy generation and waste volume reduction. The current study investigated the Biomethane Potential (BMP) of the Vaal University of Technology canteen food waste using anaerobic digestion. Tests were performed on canteen food waste, as a substrate, with total solids (TS) of 22%, volatile solids (VS) of 21% and moisture content of 78%. The tests were performed in batch reactors, at a mesophilic temperature of 37 °C, with two different types of inoculum, primary and digested sludge. The resulting CH4 yields for both food waste with digested sludge and primary sludge were equal, being 357 Nml/g VS. This indicated that food waste form this canteen is rich in organic and highly biodegradable. Hence it can be used as a substrate for the anaerobic digestion process. The food waste with digested sludge and primary sludge both fitted the first order kinetic model with k for primary sludge inoculated food waste being 0.278 day-1 with R2 of 0.98, whereas k for digested sludge inoculated food waste being 0.034 day-1, with R2 of 0.847.Keywords: anaerobic digestion, biogas, bio-methane potential, food waste
Procedia PDF Downloads 2351728 Design of New Sustainable Pavement Concrete: An Experimental Road
Authors: Manuel Rosales, Francisco Agrela, Julia Rosales
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The development of concrete pavements that include recycled waste with active and predictive safety features is a possible approach to mitigate the harmful impacts of the construction industry, such as CO2 emissions and the consumption of energy and natural resources during the construction and maintenance of road infrastructure. This study establishes the basis for formulating new smart materials for concrete pavements and carrying out the in-situ implementation of an experimental road section. To this end, a comprehensive recycled pavement solution is developed that combines eco-hybrid cement made with 25% mixed recycled aggregate powder (pMRA) and biomass bottom ash powder (pBBA) and a 30% substitution of natural aggregate by MRA and BBA. This work is grouped in three lines. 1) construction materials with high rates of use of recycled material, 2) production processes with efficient consumption of natural resources and use of cleaner energies, and 3) implementation and monitoring of road section with sustainable concrete made from waste. The objective of this study is to ensure satisfactory rheology, mechanical strength, durability, and CO2 capture of pavement concrete manufactured from waste and its subsequent application in real road section as well as its monitoring to establish the optimal range of recycled material. The concrete developed during this study are aimed at the reuse of waste, promoting the circular economy. For this purpose, and after having carried out different tests in the laboratory, three mixtures were established to be applied on the experimental road.Keywords: biomass bottom ash, construction and demolition waste, recycled concrete pavements, full-scale experimental road, monitoring
Procedia PDF Downloads 681727 Environmental and Safety Studies for Advanced Fuel Cycle Fusion Energy Systems: The ESSENTIAL Approach
Authors: Massimo Zucchetti
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In the US, the SPARC-ARC projects of compact tokamaks are being developed: both are aimed at the technological demonstration of fusion power reactors with cutting-edge technology but following different design approaches. However, they show more similarities than differences in the fuel cycle, safety, radiation protection, environmental, waste and decommissioning aspects: all reactors, either experimental or demonstration ones, have to fulfill certain "essential" requirements to pass from virtual to real machines, to be built in the real world. The paper will discuss these "essential" requirements. Some of the relevant activities in these fields, carried out by our research group (ESSENTIAL group), will be briefly reported, with the aim of showing some methodology aspects that have been developed and might be of wider interest. Also, a non-competitive comparison between our results for different projects will be included when useful. The question of advanced D-He3 fuel cycles to be used for those machines will be addressed briefly. In the past, the IGNITOR project of a compact high-magnetic field D-T ignition experiment was found to be able to sustain limited D-He3 plasmas, while the Candor project was a more decisive step toward D-He3 fusion reactors. The following topics will be treated: Waste management and radioactive safety studies for advanced fusion power plants; development of compact high-field advanced fusion reactors; behavior of nuclear materials under irradiation: neutron-induced radioactivity due to side DT reactions, radiation damage; accident analysis; reactor siting.Keywords: advanced fuel fusion reactors, deuterium-helium3, high-field tokamaks, fusion safety
Procedia PDF Downloads 821726 Coastal Resources Spatial Planning and Potential Oil Risk Analysis: Case Study of Misratah’s Coastal Resources, Libya
Authors: Abduladim Maitieg, Kevin Lynch, Mark Johnson
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The goal of the Libyan Environmental General Authority (EGA) and National Oil Corporation (Department of Health, Safety & Environment) during the last 5 years has been to adopt a common approach to coastal and marine spatial planning. Protection and planning of the coastal zone is a significant for Libya, due to the length of coast and, the high rate of oil export, and spills’ potential negative impacts on coastal and marine habitats. Coastal resource scenarios constitute an important tool for exploring the long-term and short-term consequences of oil spill impact and available response options that would provide an integrated perspective on mitigation. To investigate that, this paper reviews the Misratah coastal parameters to present the physical and human controls and attributes of coastal habitats as the first step in understanding how they may be damaged by an oil spill. This paper also investigates costal resources, providing a better understanding of the resources and factors that impact the integrity of the ecosystem. Therefore, the study described the potential spatial distribution of oil spill risk and the coastal resources value, and also created spatial maps of coastal resources and their vulnerability to oil spills along the coast. This study proposes an analysis of coastal resources condition at a local level in the Misratah region of the Mediterranean Sea, considering the implementation of coastal and marine spatial planning over time as an indication of the will to manage urban development. Oil spill contamination analysis and their impact on the coastal resources depend on (1) oil spill sequence, (2) oil spill location, (3) oil spill movement near the coastal area. The resulting maps show natural, socio-economic activity, environmental resources along of the coast, and oil spill location. Moreover, the study provides significant geodatabase information which is required for coastal sensitivity index mapping and coastal management studies. The outcome of study provides the information necessary to set an Environmental Sensitivity Index (ESI) for the Misratah shoreline, which can be used for management of coastal resources and setting boundaries for each coastal sensitivity sectors, as well as to help planners measure the impact of oil spills on coastal resources. Geographic Information System (GIS) tools were used in order to store and illustrate the spatial convergence of existing socio-economic activities such as fishing, tourism, and the salt industry, and ecosystem components such as sea turtle nesting area, Sabkha habitats, and migratory birds feeding sites. These geodatabases help planners investigate the vulnerability of coastal resources to an oil spill.Keywords: coastal and marine spatial planning advancement training, GIS mapping, human uses, ecosystem components, Misratah coast, Libyan, oil spill
Procedia PDF Downloads 3621725 Systems Lens: Towards Sustainable Management of Maintenance and Renewal of Wire-Based Infrastructure: The Case of Water Network in the City of Linköping, Sweden
Authors: E. Hegazy, S. Anderberg, J. Krook
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The city's wire-based infrastructure systems (WBIS) are responsible for the delivery of electricity, telecommunications, sanitation, drainage, and district heating and are a necessity for sustainable modern urban life. Maintaining the functionality of these structures involves high costs and, brings disturbance to the local community and effects on the environment. One key reason for this is that the cables and pipes are placed under streets, making system parts easily worn and their service lifetime reduced, and all maintenance and renewal rely on recurrent needs for excavation. In Sweden, a significant part of wire-based infrastructure is already outdated and will need to be replaced in the coming decades. The replacement of these systems will entail massive costs as well as important traffic disruption and environmental disturbance. However, this challenge may also open a unique opportunity to introduce new, more sustainable technologies and management practices. The transformation of WBIS management for long-term sustainability and meeting maintenance and renewal needs does not have a comprehensive approach. However, a systemic approach may inform WBIS management. This approach considers both technical and non-technical aspects, as well as time-related factors. Nevertheless, there is limited systemic knowledge of how different factors influence current management practices. The aim of this study is to address this knowledge gap and contribute to the understanding of what factors influence the current practice of WBIS management. A case study approach is used to identify current management practices, the underlying factors that influence them, and their implications for sustainability outcomes. The case study is based on both quantitative data on the local system and data from interviews and workshops with local practitioners and other stakeholders. Linköping was selected as a case since it provided good accessibility to the water administration and relevant data for analyzing water infrastructure management strategies. It is a sufficiently important city in Sweden to be able to identify challenges, which, to some extent, are common to all Swedish cities. By uncovering current practices and what is influencing Linköping, knowledge gaps and uncertainties related to sustainability consequences were highlighted. The findings show that goals, priorities, and policies controlling management are short-termed, and decisions on maintenance and renewal are often restricted to finding solutions to the most urgent issues. Sustainability transformation in the infrastructure area will not be possible through individual efforts without coordinated technical, organizational, business, and regulatory changes.Keywords: case study, infrastructure, management, practice, Sweden
Procedia PDF Downloads 841724 Halogenated Methoxy- and Methyl-benzoic Acids: Joint Experimental and DFT Study For Molecular Structure, Vibrational Analysis, and Other Molecular Properties
Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy
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Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids
Procedia PDF Downloads 761723 Quantum Engine Proposal using Two-level Atom Like Manipulation and Relativistic Motoring Control
Authors: Montree Bunruangses, Sonath Bhattacharyya, Somchat Sonasang, Preecha Yupapin
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A two-level system is manipulated by a microstrip add-drop circuit configured as an atom like system for wave-particle behavior investigation when its traveling speed along the circuit perimeter is the speed of light. The entangled pair formed by the upper and lower sideband peaks is bound by the angular displacement, which is given by 0≤θ≤π/2. The control signals associated with 3-peak signal frequencies are applied by the external inputs via the microstrip add-drop multiplexer ports, where they are time functions without the space term involved. When a system satisfies the speed of light conditions, the mass term has been changed to energy based on the relativistic limit described by the Lorentz factor and Einstein equation. The different applied frequencies can be utilized to form the 3-phase torques that can be applied for quantum engines. The experiment will use the two-level system circuit and be conducted in the laboratory. The 3-phase torques will be recorded and investigated for quantum engine driving purpose. The obtained results will be compared to the simulation. The optimum amplification of torque can be obtained by the resonant successive filtering operation. Torque will be vanished when the system is balanced at the stopped position, where |Time|=0, which is required to be a system stability condition. It will be discussed for future applications. A larger device may be tested in the future for realistic use. A synchronous and asynchronous driven motor is also discussed for the warp drive use.Keywords: quantum engine, relativistic motor, 3-phase torque, atomic engine
Procedia PDF Downloads 631722 Vibration Analysis and Optimization Design of Ultrasonic Horn
Authors: Kuen Ming Shu, Ren Kai Ho
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Ultrasonic horn has the functions of amplifying amplitude and reducing resonant impedance in ultrasonic system. Its primary function is to amplify deformation or velocity during vibration and focus ultrasonic energy on the small area. It is a crucial component in design of ultrasonic vibration system. There are five common design methods for ultrasonic horns: analytical method, equivalent circuit method, equal mechanical impedance, transfer matrix method, finite element method. In addition, the general optimization design process is to change the geometric parameters to improve a single performance. Therefore, in the general optimization design process, we couldn't find the relation of parameter and objective. However, a good optimization design must be able to establish the relationship between input parameters and output parameters so that the designer can choose between parameters according to different performance objectives and obtain the results of the optimization design. In this study, an ultrasonic horn provided by Maxwide Ultrasonic co., Ltd. was used as the contrast of optimized ultrasonic horn. The ANSYS finite element analysis (FEA) software was used to simulate the distribution of the horn amplitudes and the natural frequency value. The results showed that the frequency for the simulation values and actual measurement values were similar, verifying the accuracy of the simulation values. The ANSYS DesignXplorer was used to perform Response Surface optimization, which could shows the relation of parameter and objective. Therefore, this method can be used to substitute the traditional experience method or the trial-and-error method for design to reduce material costs and design cycles.Keywords: horn, natural frequency, response surface optimization, ultrasonic vibration
Procedia PDF Downloads 116