Search results for: Kernel density
3190 Investigation about Structural and Optical Properties of Bulk and Thin Film of 1H-CaAlSi by Density Functional Method
Authors: M. Babaeipour, M. Vejdanihemmat
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Optical properties of bulk and thin film of 1H-CaAlSi for two directions (1,0,0) and (0,0,1) were studied. The calculations are carried out by Density Functional Theory (DFT) method using full potential. GGA approximation was used to calculate exchange-correlation energy. The calculations are performed by WIEN2k package. The results showed that the absorption edge is shifted backward 0.82eV in the thin film than the bulk for both directions. The static values of the real part of dielectric function for four cases were obtained. The static values of the refractive index for four cases are calculated too. The reflectivity graphs have shown an intensive difference between the reflectivity of the thin film and the bulk in the ultraviolet region.Keywords: 1H-CaAlSi, absorption, bulk, optical, thin film
Procedia PDF Downloads 5183189 Characterization of Biodiesel Produced from Cow-Tallow
Authors: Nwadike Emmanuel Chinagoron, Achebe Chukwunonso, Ezeliora Chukwuemeka Daniel, Azaka Onyemazuwa Andrew
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In this research work, the process of biodiesel production in a pilot plant was studied using cow tallow as raw material, methanol as the solvent and potassium hydroxide as catalysts. The biodiesel quality was determined by characterization. The tallow used in the production had a molecular weight of 860g. Its oil had a density value of 0.8g/ml, iodine value of 63.45, viscosity at 300C was 9.83pas, acid value was 1.96, free fatty acid (FFA) of 0.98%, saponification value of 82.75mleq/kg, specific gravity of 0.898, flash point of 1100C, cloud point of 950C and Calorific value also called Higher Heating Value (HHV) of 38.365MJ/Kg. The produced biodiesel had a density of 0.82g/ml, iodine value of 126.9, viscosity of 4.32pas at 300C, acid value of 0.561, FFA of 0.2805%, saponification value of 137.45 mleq/kg.Flash point, cloud point and centane number of the biodiesel produced are 1390C, 980C and 57.5 respectively, with fat content, protein content, ash content, moisture content, fiber content and carbohydrate content values of 10%, 2.8%, 5%, 5%, 20%, and 37.2% respectively. The biodiesel higher heating values (calorific values) when estimated from viscosity, density and flash points were 41.4MJ/Kg, 63.8MJ/Kg, and 34.6MJ/Kg respectively. The biodiesel was blended with conventional diesel. The blend B-10 had values of 1320C and 960C for flash and cloud points, with Calorific value (or HHV) of 34.6 MJ/Kg (when estimated from its Flash point) and fat content, protein content, ash content, moisture content, fiber content and carbohydrate content values of 5%, 2.1%,10%, 5%, 15%, and 62.9% respectively.Keywords: biodiesel, characterization, cow-tallow, cetane rating
Procedia PDF Downloads 5373188 Multiple Relaxation Times in the Gibbs Ensemble Monte Carlo Simulation of Phase Separation
Authors: Bina Kumari, Subir K. Sarkar, Pradipta Bandyopadhyay
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The autocorrelation function of the density fluctuation is studied in each of the two phases in a Gibbs Ensemble Monte Carlo (GEMC) simulation of the problem of phase separation for a square well potential with various values of its range. We find that the normalized autocorrelation function is described very well as a linear combination of an exponential function with a time scale τ₂ and a stretched exponential function with a time scale τ₁ and an exponent α. Dependence of (α, τ₁, τ₂) on the parameters of the GEMC algorithm and the range of the square well potential is investigated and interpreted. We also analyse the issue of how to choose the parameters of the GEMC simulation optimally.Keywords: autocorrelation function, density fluctuation, GEMC, simulation
Procedia PDF Downloads 1893187 Boiler Ash as a Reducer of Formaldehyde Emission in Medium-Density Fiberboard
Authors: Alexsandro Bayestorff da Cunha, Dpebora Caline de Mello, Camila Alves Corrêa
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In the production of fiberboards, an adhesive based on urea-formaldehyde resin is used, which has the advantages of low cost, homogeneity of distribution, solubility in water, high reactivity in an acid medium, and high adhesion to wood. On the other hand, as a disadvantage, there is low resistance to humidity and the release of formaldehyde. The objective of the study was to determine the viability of adding industrial boiler ash to the urea formaldehyde-based adhesive for the production of medium-density fiberboard. The raw material used was composed of Pinus spp fibers, urea-formaldehyde resin, paraffin emulsion, ammonium sulfate, and boiler ash. The experimental plan, consisting of 8 treatments, was completely randomized with a factorial arrangement, with 0%, 1%, 3%, and 5% ash added to the adhesive, with and without the application of a catalyst. In each treatment, 4 panels were produced with density of 750 kg.m⁻³, dimensions of 40 x 40 x 1,5 cm, 12% urea formaldehyde resin, 1% paraffin emulsion and hot pressing at a temperature of 180ºC, the pressure of 40 kgf/cm⁻² for a time of 10 minutes. The different compositions of the adhesive were characterized in terms of viscosity, pH, gel time and solids, and the panels by physical and mechanical properties, in addition to evaluation using the IMAL DPX300 X-ray densitometer and formaldehyde emission by the perforator method. The results showed a significant reduction of all adhesive properties with the use of the catalyst, regardless of the treatment; while the percentage increase of ashes provided an increase in the average values of viscosity, gel time, and solids and a reduction in pH for the panels with a catalyst; for panels without catalyst, the behavior was the opposite, with the exception of solids. For the physical properties, the results of the variables of density, compaction ratio, and thickness were equivalent and in accordance with the standard, while the moisture content was significantly reduced with the use of the catalyst but without the influence of the percentage of ash. The density profile for all treatments was characteristic of medium-density fiberboard, with more compacted and dense surfaces when compared to the central layer. For thickness, the swelling was not influenced by the catalyst and the use of ash, presenting average values within the normalized parameters. For mechanical properties, the influence of ashes on the adhesive was negatively observed in the modulus of rupture from 1% and in the traction test from 3%; however, only this last property, in the percentages of 3% and 5%, were below the minimum limit of the norm. The use of catalyst and ashes with percentages of 3% and 5% reduced the formaldehyde emission of the panels; however, only the panels that used adhesive with catalyst presented emissions below 8mg of formaldehyde / 100g of the panel. In this way, it can be said that boiler ash can be added to the adhesive with a catalyst without impairing the technological properties by up to 1%.Keywords: reconstituted wood panels, formaldehyde emission, technological properties of panels, perforator
Procedia PDF Downloads 723186 Impact of Glaucoma Surgery on Corneal Endothelium
Authors: Majid Moshirfar, Kyle Margulies, Yasmyne C. Ronquillo, Phillip Hoopes
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A total of 66 articles were reviewed to compare glaucoma and its associated surgeries' effect on central corneal endothelium cell density (CECD). The paper reports the average reported central CECD loss at 3-, 6-, 12-, 24-, 36-, 48-, and 60-month post-operation for each glaucoma surgery. ALT, MLT, SLT, CS AGV, VC BGI, Hydrus + phaco, XEN gel + phaco, PRESERFLO, Dual iStent, or Trabectome had no significant impact on postoperative CECD compared to either preoperative CECD or control group CECD. The highest CECD loss was found to be EXPRESS-phaco, AC AGV, CS BGI, CS BGI, AC BGI, and AC BGI at the 3-, 6-, 12-, 24-, 36-, 48-, and 60-month follow-ups, respectively. AC AGV, Trab + MMC, Trab, AC BGI, Trab + MMC, Cypass, and Cypass showed the smallest reduction of CECD at the 3-, 6-, 12-, 24-, 36-, 48-, and 60-month follow-ups.Keywords: glaucoma, corneal endothelium, cell density, surgery outcome
Procedia PDF Downloads 993185 Study of Oxidative Stability, Cold Flow Properties and Iodine Value of Macauba Biodiesel Blends
Authors: Acacia A. Salomão, Willian L. Gomes da Silva, Gustavo G. Shimamoto, Matthieu Tubino
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Biodiesel physical and chemical properties depend on the raw material composition used in its synthesis. Saturated fatty acid esters confer high oxidative stability, while unsaturated fatty acid esters improve the cold flow properties. In this study, an alternative vegetal source - the macauba kernel oil - was used in the biodiesel synthesis instead of conventional sources. Macauba can be collected from native palm trees and is found in several regions in Brazil. Its oil is a promising source when compared to several other oils commonly obtained from food products, such as soybean, corn or canola oil, due to its specific characteristics. However, the usage of biodiesel made from macauba oil alone is not recommended due to the difficulty of producing macauba in large quantities. For this reason, this project proposes the usage of blends of the macauba oil with conventional oils. These blends were prepared by mixing the macauba biodiesel with biodiesels obtained from soybean, corn, and from residual frying oil, in the following proportions: 20:80, 50:50 e 80:20 (w/w). Three parameters were evaluated, using the standard methods, in order to check the quality of the produced biofuel and its blends: oxidative stability, cold filter plugging point (CFPP), and iodine value. The induction period (IP) expresses the oxidative stability of the biodiesel, the CFPP expresses the lowest temperature in which the biodiesel flows through a filter without plugging the system and the iodine value is a measure of the number of double bonds in a sample. The biodiesels obtained from soybean, residual frying oil and corn presented iodine values higher than 110 g/100 g, low oxidative stability and low CFPP. The IP values obtained from these biodiesels were lower than 8 h, which is below the recommended standard value. On the other hand, the CFPP value was found within the allowed limit (5 ºC is the maximum). Regarding the macauba biodiesel, a low iodine value was observed (31.6 g/100 g), which indicates the presence of high content of saturated fatty acid esters. The presence of saturated fatty acid esters should imply in a high oxidative stability (which was found accordingly, with IP = 64 h), and high CFPP, but curiously the latter was not observed (-3 ºC). This behavior can be explained by looking at the size of the carbon chains, as 65% of this biodiesel is composed by short chain saturated fatty acid esters (less than 14 carbons). The high oxidative stability and the low CFPP of macauba biodiesel are what make this biofuel a promising source. The soybean, corn and residual frying oil biodiesels also have low CFPP, but low oxidative stability. Therefore the blends proposed in this work, if compared to the common biodiesels, maintain the flow properties but present enhanced oxidative stability.Keywords: biodiesel, blends, macauba kernel oil, stability oxidative
Procedia PDF Downloads 5393184 Characterization of Sintered Fe-Cr-Mn Powder Mixtures Containing Intermetallics
Authors: A. Yonetken, A. Erol, M. Cakmakkaya
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Intermetallic materials are among advanced technology materials that have outstanding mechanical and physical properties for high temperature applications. Especially creep resistance, low density and high hardness properties stand out in such intermetallics. The microstructure, mechanical properties of %88Ni-%10Cr and %2Mn powders were investigated using specimens produced by tube furnace sintering at 900-1300°C temperature. A composite consisting of ternary additions, a metallic phase, Fe ,Cr and Mn have been prepared under Ar shroud and then tube furnace sintered. XRD, SEM (Scanning Electron Microscope), were investigated to characterize the properties of the specimens. Experimental results carried out for composition %88Ni-%10Cr and %2Mn at 1300°C suggest that the best properties as 138,80HV and 6,269/cm3 density were obtained at 1300°C.Keywords: composite, high temperature, intermetallic, sintering
Procedia PDF Downloads 4073183 Effects of Initial Moisture Content on the Physical and Mechanical Properties of Norway Spruce Briquettes
Authors: Miloš Matúš, Peter Križan, Ľubomír Šooš, Juraj Beniak
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The moisture content of densified biomass is a limiting parameter influencing the quality of this solid biofuel. It influences its calorific value, density, mechanical strength and dimensional stability as well as affecting its production process. This paper deals with experimental research into the effect of moisture content of the densified material on the final quality of biofuel in the form of logs (briquettes or pellets). Experiments based on the single-axis densification of the spruce sawdust were carried out with a hydraulic piston press (piston and die), where the densified logs were produced at room temperature. The effect of moisture content on the qualitative properties of the logs, including density, change of moisture, expansion and physical changes, and compressive and impact resistance were studied. The results show the moisture ranges required for producing good-quality logs. The experiments were evaluated and the moisture content of the tested material was optimized to achieve the optimum value for the best quality of the solid biofuel. The dense logs also have high-energy content per unit volume. The research results could be used to develop and optimize industrial technologies and machinery for biomass densification to achieve high quality solid biofuel.Keywords: biomass, briquettes, densification, fuel quality, moisture content, density
Procedia PDF Downloads 4283182 Study on the Thermal Conductivity about Porous Materials in Wet State
Authors: Han Yan, Jieren Luo, Qiuhui Yan, Xiaoqing Li
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The thermal conductivity of porous materials is closely related to the thermal and moisture environment and the overall energy consumption of the building. The study of thermal conductivity of porous materials has great significance for the realization of low energy consumption building and economic construction building. Based on the study of effective thermal conductivity of porous materials at home and abroad, the thermal conductivity under a variety of different density of polystyrene board (EPS), plastic extruded board (XPS) and polyurethane (PU) and phenolic resin (PF) in wet state through theoretical analysis and experimental research has been studied. Initially, the moisture absorption and desorption properties of specimens had been discussed under different density, which led a result indicates the moisture absorption of four porous materials all have three stages, fast, stable and gentle. For the moisture desorption, there are two types. One is the existence of the rapid phase of the stage, such as XPS board, PU board. The other one does not have the fast desorption, instead, it is more stabilized, such as XPS board, PF board. Furthermore, the relationship between water content and thermal conductivity of porous materials had been studied and fitted, which figured out that in the wake of the increasing water content, the thermal conductivity of porous material is continually improving. At the same time, this result also shows, in different density, when the same kind of materials decreases, the saturated moisture content increases. Finally, the moisture absorption and desorption properties of the four kinds of materials are compared comprehensively, and it turned out that the heat preservation performance of PU board is the best, followed by EPS board, XPS board, PF board.Keywords: porous materials, thermal conductivity, moisture content, transient hot-wire method
Procedia PDF Downloads 1863181 The Effects of Semi-Public Spaces with Distinctive Functions on the Urban Space Quality
Authors: Melike Orhan
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Along with impetuous physical change, configuration and increase in the density of cities, urban public spaces have started to become a transition area rather than spaces to inhabit. The insufficiency of public spaces, one of the most significant components of a city, where communal life is maintained and the decrease in the quality of urban spaces have led to an increase in the use of semi-public spaces as urban space. Semi-public spaces are those that ensure transition between private and public spaces and can be seen, observed, reached and used by urban-dwellers. Humans are in a constant relation to their surroundings and care for integration as part of their surroundings. Semi-public spaces providing balance for the individual between private spaces (structures) and urban-public spaces make this integration easier. Spaces with a semi-public characteristic serve for a particular neighboring unit and the user (i.e. common use areas in residential spaces and dwellings, common outdoor areas situated between office buildings, and etc.) These spaces, whose density of usage is increased with distinctive functions and activities, gain different attributions according to the characteristics of the urban space they are located in (commercial, residential, touristic, and etc.) and to the functions of the structures with which they are in relation. At the same time, they begin to serve other neighboring units along with an increase in public usage. As a result, the interaction between environment-space-structure-humans changes, which directly affects the urban space quality. The aim of this study is to determine how and depending on what characteristics the public usage density of semi-public spaces change and to put forth the effects of this change on the urban environment it is located in and to designate its role in terms of 'urban space quality'. In conclusion, within the scope of this study, semi-public spaces located in urban spaces with distinctive functions will be explored through examples, and the effects of these spaces with altered public usage and density on urban space and quality of life will be put forward. Accordingly, applicable criteria will be determined by means of semi-public spaces oriented at increasing and sustaining the quality of urban space.Keywords: semi-public spaces, urban public spaces, urban space quality, public usage
Procedia PDF Downloads 2393180 A Generalization of Option Pricing with Discrete Dividends to Markets with Daily Price Limits
Authors: Jiahau Guo, Yihe Zhang
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This paper proposes solutions for pricing options on stocks paying discrete dividends in markets with daily price limits. We first extend the intraday density function of Guo and Chang (2020) to a multi-day one and use the framework of Haug et al. (2003) to value European options on stocks paying discrete dividends. Next, we adopt the fast Fourier transform (FFT) to derive accurate and efficient formulae for American options and further employ the three-point Richardson extrapolation to accelerate the computation. Finally, the accuracy of our proposed methods is verified by simulations.Keywords: daily price limit, discrete dividend, early exercise, fast Fourier transform, multi-day density function, Richardson extrapolation
Procedia PDF Downloads 1643179 X-Ray and DFT Electrostatics Parameters Determination of a Coumarin Derivative Compound C17H13NO3
Authors: Y. Megrous, A. Chouaih, F. Hamzaoui
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The crystal structure of 4-Methyl-7-(salicylideneamino)coumarin C17H13NO3has been determined using X-ray diffraction to establish the configuration and stereochemistry of the molecule. This crystal is characterized by its nolinear activity. The molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment in-crystal have been determined in order to understand the nature of inter-and intramolecular charge transfer. The study present the thermal motion and the structural analysis obtained from the least-square refinement on F2,this study has also allowed us to determine the electrostatic potential and therefore locate the electropositive part and the electronegative part in molecular scale of the title compound.Keywords: electron charge density, net atomic charge, molecular dipole moment, X-ray diffraction
Procedia PDF Downloads 4563178 Influence of the Granular Mixture Properties on the Rheological Properties of Concrete: Yield Stress Determination Using Modified Chateau et al. Model
Authors: Rachid Zentar, Mokrane Bala, Pascal Boustingorry
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The prediction of the rheological behavior of concrete is at the center of current concerns of the concrete industry for different reasons. The shortage of good quality standard materials combined with variable properties of available materials imposes to improve existing models to take into account these variations at the design stage of concrete. The main reasons for improving the predictive models are, of course, saving time and cost at the design stage as well as to optimize concrete performances. In this study, we will highlight the different properties of the granular mixtures that affect the rheological properties of concrete. Our objective is to identify the intrinsic parameters of the aggregates which make it possible to predict the yield stress of concrete. The work was done using two typologies of grains: crushed and rolled aggregates. The experimental results have shown that the rheology of concrete is improved by increasing the packing density of the granular mixture using rolled aggregates. The experimental program realized allowed to model the yield stress of concrete by a modified model of Chateau et al. through a dimensionless parameter following Krieger-Dougherty law. The modelling confirms that the yield stress of concrete depends not only on the properties of cement paste but also on the packing density of the granular skeleton and the shape of grains.Keywords: crushed aggregates, intrinsic viscosity, packing density, rolled aggregates, slump, yield stress of concrete
Procedia PDF Downloads 1273177 The Effect of Soil Reinforcement on Pullout Behaviour of Flat Under-Reamer Anchor Pile Placed in Sand
Authors: V. K. Arora, Amit Rastogi
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To understand the anchor pile behaviour and to predict the capacity of piles under uplift loading are important concerns in foundation analysis. Experimental model tests have been conducted on single anchor pile embedded in cohesionless soil and subjected to pure uplift loading. A gravel-filled geogrid layer was located around the enlarged pile base. The experimental tests were conducted on straight-shafted vertical steel piles with an outer diameter of 20 mm in a steel soil tank. The tested piles have embedment depth-to-diameter ratios (L/D) of 2, 3, and 4. The sand bed is prepared at three different values of density of 1.67, 1.59, and 1.50gm/cc. Single piles embedded in sandy soil were tested and the results are presented and analysed in this paper. The influences of pile embedment ratio, reinforcement, relative density of soil on the uplift capacity of piles were investigated. The study revealed that the behaviour of single piles under uplift loading depends mainly on both the pile embedment depth-to-diameter ratio and the soil density. It is believed that the experimental results presented in this study would be beneficial to the professional understanding of the soil–pile-uplift interaction problem.Keywords: flat under-reamer anchor pile, geogrid, pullout reinforcement, soil reinforcement
Procedia PDF Downloads 4683176 Fiber Release from Fabrics with Various Weave Parameters and Finishing Treatments during Washing and Their Marine Biodegradation
Authors: Seoyoun Kim, Chunghee Park
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Microplastics have recently become an issue due to their potentially harmful effects on the marine environment and the human body. The purpose of this study is to investigate the correlation of fiber emissions during the home laundering with the fabric parameters such as yarn density, warp/weft density, and weave structure. Also, the effect of finishing treatments such as reactive dyeing, water-repellent finish, peach skin finish on fiber emissions was evaluated. Furthermore, we studied the biodegradability of fibers in the marine environment compared to those in soil burial and the impact of finishing treatment on the biodegradability. Biodegradability was evaluated by measuring BOD values and tensile strength reduction. The results showed that more fibers were released in the thicker yarn, lower weave density. Also, a weave structure which has less compactness, released more fibers. Peach skin finish with microfibers exposed on the surface caused more fiber release, whereas water-repellent finish reduced the fiber emission. In addition, the biodegradability of the fabrics submerged in the marine environment were lower compared with those buried in the soil. Also, the water-repellent fabric was less biodegradable than the untreated one. Further research is suggested considering the fabrics with various chemical components or geometry and their fouling behavior in the marine environment.Keywords: biodegradation, fibers, microplastic, pollution
Procedia PDF Downloads 1373175 In-Situ Quasistatic Compression and Microstructural Characterization of Aluminium Foams of Different Cell Topology
Authors: M. A. Islam, P. J. Hazell, J. P. Escobedo, M. Saadatfar
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Quasistatic compression and micro structural characterization of closed cell aluminium foams of different pore size and cell distributions has been carried out. Metallic foams have good potential for lightweight structures for impact and blast mitigation and therefore it is important to find out the optimized foam structure (i.e. cell size, shape, relative density, and distribution) to maximize energy absorption. In this paper, we present results for two different aluminium metal foams of density 0.5 g/cc and 0.7 g/cc respectively that have been tested in quasi-static compression. The influence of cell geometry and cell topology on quasistatic compression behavior has been investigated using computed tomography (micro-CT) analysis. The compression behavior and micro structural characterization will be presented.Keywords: metal foams, micro-CT, cell topology, quasistatic compression
Procedia PDF Downloads 4553174 Design and Performance Evaluation of Synchronous Reluctance Machine (SynRM)
Authors: Hadi Aghazadeh, Mohammadreza Naeimi, Seyed Ebrahim Afjei, Alireza Siadatan
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Torque ripple, maximum torque and high efficiency are important issues in synchronous reluctance machine (SynRM). This paper presents a view on design of a high efficiency, low torque ripple and high torque density SynRM. To achieve this goal SynRM parameters is calculated (such as insulation ratios in the d-and q-axes and the rotor slot pitch), while the torque ripple can be minimized by determining the best rotor slot pitch in the d-axis. The presented analytical-finite element method (FEM) approach gives the optimum distribution of air gap and iron portion for the maximizing torque density with minimum torque ripple.Keywords: torque ripple, efficiency, insulation ratio, FEM, synchronous reluctance machine (SynRM), induction motor (IM)
Procedia PDF Downloads 2273173 Structural, Electronic and Optical Properties of LiₓNa1-ₓH for Hydrogen Storage
Authors: B. Bahloul
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This study investigates the structural, electronic, and optical properties of LiH and NaH compounds, as well as their ternary mixed crystals LiₓNa1-ₓH, adopting a face-centered cubic structure with space group Fm-3m (number 225). The structural and electronic characteristics are examined using density functional theory (DFT), while empirical methods, specifically the modified Moss relation, are employed for analyzing optical properties. The exchange-correlation potential is determined through the generalized gradient approximation (PBEsol-GGA) within the density functional theory (DFT) framework, utilizing the projected augmented wave pseudopotentials (PAW) approach. The Quantum Espresso code is employed for conducting these calculations. The calculated lattice parameters at equilibrium volume and the bulk modulus for x=0 and x=1 exhibit good agreement with existing literature data. Additionally, the LiₓNa1-ₓH alloys are identified as having a direct band gap.Keywords: DFT, structural, electronic, optical properties
Procedia PDF Downloads 713172 Structure Clustering for Milestoning Applications of Complex Conformational Transitions
Authors: Amani Tahat, Serdal Kirmizialtin
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Trajectory fragment methods such as Markov State Models (MSM), Milestoning (MS) and Transition Path sampling are the prime choice of extending the timescale of all atom Molecular Dynamics simulations. In these approaches, a set of structures that covers the accessible phase space has to be chosen a priori using cluster analysis. Structural clustering serves to partition the conformational state into natural subgroups based on their similarity, an essential statistical methodology that is used for analyzing numerous sets of empirical data produced by Molecular Dynamics (MD) simulations. Local transition kernel among these clusters later used to connect the metastable states using a Markovian kinetic model in MSM and a non-Markovian model in MS. The choice of clustering approach in constructing such kernel is crucial since the high dimensionality of the biomolecular structures might easily confuse the identification of clusters when using the traditional hierarchical clustering methodology. Of particular interest, in the case of MS where the milestones are very close to each other, accurate determination of the milestone identity of the trajectory becomes a challenging issue. Throughout this work we present two cluster analysis methods applied to the cis–trans isomerism of dinucleotide AA. The choice of nucleic acids to commonly used proteins to study the cluster analysis is two fold: i) the energy landscape is rugged; hence transitions are more complex, enabling a more realistic model to study conformational transitions, ii) Nucleic acids conformational space is high dimensional. A diverse set of internal coordinates is necessary to describe the metastable states in nucleic acids, posing a challenge in studying the conformational transitions. Herein, we need improved clustering methods that accurately identify the AA structure in its metastable states in a robust way for a wide range of confused data conditions. The single linkage approach of the hierarchical clustering available in GROMACS MD-package is the first clustering methodology applied to our data. Self Organizing Map (SOM) neural network, that also known as a Kohonen network, is the second data clustering methodology. The performance comparison of the neural network as well as hierarchical clustering method is studied by means of computing the mean first passage times for the cis-trans conformational rates. Our hope is that this study provides insight into the complexities and need in determining the appropriate clustering algorithm for kinetic analysis. Our results can improve the effectiveness of decisions based on clustering confused empirical data in studying conformational transitions in biomolecules.Keywords: milestoning, self organizing map, single linkage, structure clustering
Procedia PDF Downloads 2243171 A Remote Sensing Approach to Calculate Population Using Roads Network Data in Lebanon
Authors: Kamel Allaw, Jocelyne Adjizian Gerard, Makram Chehayeb, Nada Badaro Saliba
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In developing countries, such as Lebanon, the demographic data are hardly available due to the absence of the mechanization of population system. The aim of this study is to evaluate, using only remote sensing data, the correlations between the number of population and the characteristics of roads network (length of primary roads, length of secondary roads, total length of roads, density and percentage of roads and the number of intersections). In order to find the influence of the different factors on the demographic data, we studied the degree of correlation between each factor and the number of population. The results of this study have shown a strong correlation between the number of population and the density of roads and the number of intersections.Keywords: population, road network, statistical correlations, remote sensing
Procedia PDF Downloads 1613170 Applying a Noise Reduction Method to Reveal Chaos in the River Flow Time Series
Authors: Mohammad H. Fattahi
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Chaotic analysis has been performed on the river flow time series before and after applying the wavelet based de-noising techniques in order to investigate the noise content effects on chaotic nature of flow series. In this study, 38 years of monthly runoff data of three gauging stations were used. Gauging stations were located in Ghar-e-Aghaj river basin, Fars province, Iran. The noise level of time series was estimated with the aid of Gaussian kernel algorithm. This step was found to be crucial in preventing removal of the vital data such as memory, correlation and trend from the time series in addition to the noise during de-noising process.Keywords: chaotic behavior, wavelet, noise reduction, river flow
Procedia PDF Downloads 4683169 First-Principles Density Functional Study of Nitrogen-Doped P-Type ZnO
Authors: Abdusalam Gsiea, Ramadan Al-habashi, Mohamed Atumi, Khaled Atmimi
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We present a theoretical investigation on the structural, electronic properties and vibrational mode of nitrogen impurities in ZnO. The atomic structures, formation and transition energies and vibrational modes of (NO3)i interstitial or NO4 substituting on an oxygen site ZnO were computed using ab initio total energy methods. Based on Local density functional theory, our calculations are in agreement with one interpretation of bound-excition photoluminescence for N-doped ZnO. First-principles calculations show that (NO3)i defects interstitial or NO4 substituting on an Oxygen site in ZnO are important suitable impurity for p-type doping in ZnO. However, many experimental efforts have not resulted in reproducible p-type material with N2 and N2O doping. by means of first-principle pseudo-potential calculation we find that the use of NO or NO2 with O gas might help the experimental research to resolve the challenge of achieving p-type ZnO.Keywords: DFF, nitrogen, p-type, ZnO
Procedia PDF Downloads 4633168 Effects of Hydrogen-Ion Irritation on the Microstructure and Hardness of Fe-0.2wt.%V Alloy
Authors: Jing Zhang, Yongqin Chang, Yongwei Wang, Xiaolin Li, Shaoning Jiang, Farong Wan, Yi Long
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Microstructural and hardening changes of Fe-0.2wt.%V alloy and pure Fe irradiated with 100 keV hydrogen ions at room temperature were investigated. It was found that dislocation density varies dramatically after irradiation, ranging from dislocation free to dense areas with tangled and complex dislocation configuration. As the irradiated Fe-0.2wt.%V samples were annealed at 773 K, the irradiation-induced dislocation loops disappear, while many small precipitates with enriched C distribute in the matrix. Some large precipitates with enriched V were also observed. The hardness of Fe-0.2wt.%V alloy and pure Fe increases after irradiation, which ascribes to the formation of dislocation loops in the irradiated specimens. Compared with pure Fe, the size of the irradiation-introduced dislocation loops in Fe-0.2wt.%V alloy decreases and the density increases, the change of the hardness also decreases.Keywords: irradiation, Fe-0.2wt.%V alloy, microstructures, hardness
Procedia PDF Downloads 3863167 Associations between Metabolic Syndrome and Bone Mineral Density and Trabecular Bone Score in Postmenopausal Women with Non-Vertebral Fractures
Authors: Vladyslav Povoroznyuk, Larysa Martynyuk, Iryna Syzonenko, Liliya Martynyuk
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Medical, social, and economic relevance of osteoporosis is caused by reducing quality of life, increasing disability and mortality of the patients as a result of fractures due to the low-energy trauma. This study is aimed to examine the associations of metabolic syndrome components, bone mineral density (BMD) and trabecular bone score (TBS) in menopausal women with non-vertebral fractures. 1161 menopausal women aged 50-79 year-old were examined and divided into three groups: A included 419 women with increased body weight (BMI - 25.0-29.9 kg/m2), B – 442 females with obesity (BMI >29.9 kg/m2)i and C – 300 women with metabolic syndrome (diagnosis according to IDF criteria, 2005). BMD of lumbar spine (L1-L4), femoral neck, total body and forearm was investigated with usage of dual-energy X-ray absorptiometry. The bone quality indexes were measured according to Med-Imaps installation. All analyses were performed using Statistical Package 6.0. BMD of lumbar spine (L1-L4), femoral neck, total body, and ultradistal radius was significant higher in women with obesity and metabolic syndrome compared to the pre-obese ones (p<0.001). TBS was significantly higher in women with increased body weight compared to obese and metabolic syndrome patients. Analysis showed significant positive correlation between waist circumference, triglycerides level and BMD of lumbar spine and femur. Significant negative association between serum HDL level and BMD of investigated sites was established. The TBS (L1-L4) indexes positively correlated with HDL (high-density lipoprotein) level. Despite the fact that BMD indexes were better in women with metabolic syndrome, the frequency of non-vertebral fractures was significantly higher in this group of patients.Keywords: bone mineral density, trabecular bone score, metabolic syndrome, fracture
Procedia PDF Downloads 2103166 Producing and Mechanical Testing of Urea-Formaldehyde Resin Foams Reinforced by Waste Phosphogypsum
Authors: Krasimira Georgieva, Yordan Denev
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Many of thermosetting resins have application only in filled state, reinforced with different mineral fillers. The co-filling of polymers with mineral filler and gases creates a possibility for production of polymer composites materials with low density. This processing leads to forming of new materials – gas-filled plastics (polymer foams). The properties of these materials are determined mainly by the shape and size of internal structural elements (pores). The interactions on the phase boundaries have influence on the materials properties too. In the present work, the gas-filled urea-formaldehyde resins were reinforced by waste phosphogypsum. The waste phosphogypsum (CaSO4.2H2O) is a solid by-product in wet phosphoric acid production processes. The values of the interactions polymer-filler were increased by using two modifying agents: polyvinyl acetate for polymer matrix and sodium metasilicate for filler. Technological methods for gas-filling and recipes of urea-formaldehyde based materials with apparent density 20-120 kg/m3 were developed. The heat conductivity of the samples is between 0.024 and 0.029 W/moK. Tensile analyses were carried out at 10 and 50% deformation and show values 0.01-0.14 MPa and 0.01-0.09 MPa, respectively. The apparent density of obtained materials is between 20 and 92 kg/m3. The changes in the tensile properties and density of these materials according to sodium metasilicate content were studied too. The mechanism of phosphogypsum adsorption modification was studied using methods of FT-IR spectroscopy. The structure of the gas-filled urea-formaldehyde resins was described by results of electron scanning microscopy at three different magnification ratios – x50, x150 and x 500. The aim of present work is to study the possibility of the usage of phosphogypsum as mineral filler for urea-formaldehyde resins and development of a technology for the production of gas-filled reinforced polymer composite materials. The structure and the properties of obtained composite materials are suitable for thermal and sound insulation applications.Keywords: urea formaldehyde resins, gas-filled thermostes, phosphogypsum, mechanical properties
Procedia PDF Downloads 1083165 Density Interaction in Determinate and Indeterminate Faba Bean Types
Authors: M. Abd El Hamid Ezzat
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Two field trials were conducted to study the effect of plant densities i.e., 190, 222, 266, 330 and 440 10³ plants ha⁻¹ on morphological characters, physiological and yield attributes of two faba bean types viz. determinate (FLIP-87 -117 strain) and indeterminate (c.v. Giza-461). The results showed that the indeterminate plants significantly surpassed the determinate plants in plant height at 75 and 90 days from sowing, number of leaves at all growth stages and dry matter accumulation at 45 and 90 days from sowing. Determinate plants possessed greater number of side branches than that of the indeterminate plants, but it was only significant at 90 days from sowing. Greater number of flowers were produced by the indeterminate plants than that of the determinate plants at 75 and 90 days from sowing, and although shedding was obvious in both types, it was greater in the determinate plants as compared with the indeterminate one at 90 days from sowing. Increasing plant density resulted in reductions in number of leaves, branches flowers and dry matter accumulation per plant of both faba bean types. However, plant height criteria took a reversible magnitude. Moreover, under all rates of plant densities the indeterminate type plants surpassed the determinate plants in all growth characters studied except for number of branches per plant at 90 days from sowing. The indeterminate plant leaves significantly contained greater concentrations of photosynthetic pigments i.e., chl. a, b and carotenoids than those found in the determinate plant leaves. Also, the data showed significant reduction in photosynthetic pigments concentration as planting density increases. Light extinction coefficient (K) values reached their maximum level at 60 days from sowing, then it declined sharply at 75 days from sowing. The data showed that the illumination inside the determinate faba bean canopies was better than the indeterminate plants. (K) values tended to increase as planting density increases, meanwhile, significant interactions were reported between faba bean type as planting density on (K) at all growth stages. Both of determinate and indeterminate faba bean plant leaves reached their maximum expansion at 75 days from sowing reflecting the highest LAI values, then their declined in the subsequent growth stage. The indeterminate faba bean plants significantly surpassed the determinate plants in LAI up to 75 days from sowing. Growth analysis showed that NAR, RGR and CGR reached their maximum rates at (60-75 days growth stage). Faba bean types did not differ significantly in NAR at the early growth stage. The indeterminate plants were able to grow faster with significant CGR values than the determinate plants. The indeterminate faba bean plants surpassed the determinate ones in number of seeds/pod and per plant, 100-seed weight, seed yield per plant and per hectare at all rates of plant density. Seed yield increased with increasing plant densities of both types. The highest seed yield was attained for both types 440 103 plants ha⁻¹.Keywords: determinate, indeterminate faba bean, Physiological attributes, yield attributes
Procedia PDF Downloads 2363164 A Study on the Effects of Urban Density, Sociodemographic Vulnerability, and Medical Service on the Impact of COVID-19
Authors: Jang-hyun Oh, Kyoung-ho Choi, Jea-sun Lee
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The outbreak of the COVID-19 pandemic brought reconsiderations and doubts about urban density as compact cities became epidemic hot spots. Density, though, provides an upside in that medical services required to protect citizens against the spread of disease are concentrated within compact cities, which helps reduce the mortality rate. Sociodemographic characteristics are also a crucial factor in determining the vulnerability of the population, and the purpose of this study is to empirically discover how these three urban factors affect the severity of the epidemic impacts. The study aimed to investigate the influential relationships between urban factors and epidemic impacts and provide answers to whether superb medical service in compact cities can scale down the impacts of COVID-19. SEM (Structural Equation Modeling) was applied as a suitable research method for verifying interrelationships between factors based on theoretical grounds. The study accounted for 144 municipalities in South Korea during periods from the first emergence of COVID-19 to December 31st, 2022. The study collected data related to infection and mortality cases from each municipality, and it holds significance as primary research that enlightens the aspects of epidemic impact concerning urban settings and investigates for the first time the mediated effects of medical service. The result of the evaluation shows that compact cities are most likely to have lower sociodemographic vulnerability and better quality of medical service, while cities with low density contain a higher portion of vulnerable populations and poorer medical services. However, the quality of medical service had no significant influence in reducing neither the infection rate nor the mortality rate. Instead, density acted as the major influencing factor in the infection rate, while sociodemographic vulnerability was the major determinant of the mortality rate. Thus, the findings strongly paraphrase that compact cities, although with high infection rates, tend to have lower mortality rates due to less vulnerability in sociodemographics, Whereas death was more frequent in less dense cities due to higher portions of vulnerable populations such as the elderly and low-income classes. Findings suggest an important lesson for post-pandemic urban planning-intrinsic characteristics of urban settings, such as density and population, must be taken into account to effectively counteract future epidemics and minimize the severity of their impacts. Moreover, the study is expected to contribute as a primary reference material for follow-up studies that further investigate related subjects, including urban medical services during the pandemic.Keywords: urban planning, sociodemographic vulnerability, medical service, COVID-19, pandemic
Procedia PDF Downloads 603163 Community Based Participatory Research in Opioid Use: Design of an Informatics Solution
Authors: Sue S. Feldman, Bradley Tipper, Benjamin Schooley
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Nearly every community in the US has been impacted by opioid related addictions/deaths; it is a national problem that is threatening our social and economic welfare. Most believe that tackling this problem from a prevention perspective advances can be made toward breaking the chain of addiction. One mechanism, community based participatory research, involves the community in the prevention approach. This project combines that approach with a design science approach to develop an integrated solution. Findings suggested accountable care communities, transpersonal psychology, and social exchange theory as product kernel theories. Evaluation was conducted on a prototype.Keywords: substance use and abuse recovery, community resource centers, accountable care communities, community based participatory research
Procedia PDF Downloads 1523162 Analysis of Secondary Peak in Hα Emission Profile during Gas Puffing in Aditya Tokamak
Authors: Harshita Raj, Joydeep Ghosh, Rakesh L. Tanna, Prabal K. Chattopadhyay, K. A. Jadeja, Sharvil Patel, Kaushal M. Patel, Narendra C. Patel, S. B. Bhatt, V. K. Panchal, Chhaya Chavda, C. N. Gupta, D. Raju, S. K. Jha, J. Raval, S. Joisa, S. Purohit, C. V. S. Rao, P. K. Atrey, Umesh Nagora, R. Manchanda, M. B. Chowdhuri, Nilam Ramaiya, S. Banerjee, Y. C. Saxena
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Efficient gas fueling is a critical aspect that needs to be mastered in order to maintain plasma density, to carry out fusion. This requires a fair understanding of fuel recycling in order to optimize the gas fueling. In Aditya tokamak, multiple gas puffs are used in a precise and controlled manner, for hydrogen fueling during the flat top of plasma discharge which has been instrumental in achieving discharges with enhanced density as well as energy confinement time. Following each gas puff, we observe peaks in temporal profile of Hα emission, Soft X-ray (SXR) and chord averaged electron density in a number of discharges, indicating efficient gas fueling. Interestingly, Hα temporal profile exhibited an additional peak following the peak corresponding to each gas puff. These additional peak Hα appeared in between the two gas puffs, indicating the presence of a secondary hydrogen source apart from the gas puffs. A thorough investigation revealed that these secondary Hα peaks coincide with Hard X- ray bursts which come from the interaction of runaway electrons with vessel limiters. This leads to consider that the runaway electrons (REs), which hit the wall, in turn, bring out the absorbed hydrogen and oxygen from the wall and makes the interaction of REs with limiter a secondary hydrogen source. These observations suggest that runaway electron induced recycling should also be included in recycling particle source in the particle balance calculations in tokamaks. Observation of two Hα peaks associated with one gas puff and their roles in enhancing and maintaining plasma density in Aditya tokamak will be discussed in this paper.Keywords: fusion, gas fueling, recycling, Tokamak, Aditya
Procedia PDF Downloads 4023161 Improving Predictions of Coastal Benthic Invertebrate Occurrence and Density Using a Multi-Scalar Approach
Authors: Stephanie Watson, Fabrice Stephenson, Conrad Pilditch, Carolyn Lundquist
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Spatial data detailing both the distribution and density of functionally important marine species are needed to inform management decisions. Species distribution models (SDMs) have proven helpful in this regard; however, models often focus only on species occurrences derived from spatially expansive datasets and lack the resolution and detail required to inform regional management decisions. Boosted regression trees (BRT) were used to produce high-resolution SDMs (250 m) at two spatial scales predicting probability of occurrence, abundance (count per sample unit), density (count per km2) and uncertainty for seven coastal seafloor taxa that vary in habitat usage and distribution to examine prediction differences and implications for coastal management. We investigated if small scale regionally focussed models (82,000 km2) can provide improved predictions compared to data-rich national scale models (4.2 million km2). We explored the variability in predictions across model type (occurrence vs abundance) and model scale to determine if specific taxa models or model types are more robust to geographical variability. National scale occurrence models correlated well with broad-scale environmental predictors, resulting in higher AUC (Area under the receiver operating curve) and deviance explained scores; however, they tended to overpredict in the coastal environment and lacked spatially differentiated detail for some taxa. Regional models had lower overall performance, but for some taxa, spatial predictions were more differentiated at a localised ecological scale. National density models were often spatially refined and highlighted areas of ecological relevance producing more useful outputs than regional-scale models. The utility of a two-scale approach aids the selection of the most optimal combination of models to create a spatially informative density model, as results contrasted for specific taxa between model type and scale. However, it is vital that robust predictions of occurrence and abundance are generated as inputs for the combined density model as areas that do not spatially align between models can be discarded. This study demonstrates the variability in SDM outputs created over different geographical scales and highlights implications and opportunities for managers utilising these tools for regional conservation, particularly in data-limited environments.Keywords: Benthic ecology, spatial modelling, multi-scalar modelling, marine conservation.
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