Search results for: Optical Emission

Authors: Mahboobeh Hemmati, Tahar Messadi, Hongmei Gu

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This overall research is targeted at the assessment of the new CLT-built Adohi Hall residential building located on the campus of the University of Arkansas in Fayetteville, Arkansas. The purpose of the Life Cycle Assessment (LCA) study is to analyze the environmental impacts resulting from the transportation route of the Austrian imported CLT to the construction site with those of the CLT assumed to be originating from Conway, Arkansas. The Global Warming Potential (GWP) of CLT from Europe (Styria-Graz in Austria) to the site was first investigated. The results were then compared with the GWP of the CLT produced in Conway, Arkansas. The impacts of each scenario, using the Ecoinvent database, are then calculated and compared against each other to find the most environmentally efficient scenario in terms of global warming impacts. The quantification of GWP is associated with different transportation systems, water, road, and rail. Obtained through comparison, the findings reveal that the use of local materials is more efficient. In addition, transportation by water produces less Greenhouse Gas (GHG) emission in comparison to freight transportation by rail and road. Thus, besides the travel distance, the utilized transportation system is still a significant factor and should be seriously considered in making decisions for moving materials.

Keywords: comparative analysis, GWP, LCA, transportation

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Authors: Sami Iqbal, Azam Hussain, Weiping Wu, Guo Xinli, Tong Zhang

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A novel octagonal upright micro-pyramid structure was generated by wet chemical anisotropic etching on a monocrystalline silicon wafer (100). The primary objectives are to reduce front surface reflectance of silicon wafers, improve wettability, enhance surface morphology, and maximize the area coverage by generated octagonal pyramids. Under rigorous control and observation, the etching process' response time was maintained precisely. The experimental outcomes show a significant decrease in the optical surface reflectance of silicon wafers, with the lowest reflectance of 8.98%, as well as enhanced surface structure, periodicity, and surface area coverage of more than 85%. The octagonal silicon pyramid was formed with a high etch rate of 0.41 um/min and a much shorter reaction time with the addition of hydrofluoric acid coupled with magnetic stirring (mechanical agitation) at 300 rpm.

Keywords: octagonal pyramids, rapid etching, solar cells, surface engineering, surface reflectance

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Authors: Madeleine Anthonisen, M. Hussain Sangji, G. Monserratt Lopez-Ayon, Margaret Magdesian, Peter Grutter

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Advances in micromanipulation techniques and real-time particle tracking with nanometer resolution have enabled biological force measurements at scales relevant to neuron mechanics. An approach to precisely control and maneuver neurite-tethered polystyrene beads is presented. Analogous to an Atomic Force Microscope (AFM), this multi-purpose platform is a force sensor with imaging acquisition and manipulation capabilities. A mechanical probe composed of a micropipette with its tip fixed to a functionalized bead is used to incite the formation of a neurite in a sample of rat hippocampal neurons while simultaneously measuring the tension in said neurite as the sample is pulled away from the beaded tip. With optical imaging methods, a force resolution of 12 pN is achieved. Moreover, the advantages of this technique over alternatives such as AFM, namely ease of manipulation which ultimately allows higher throughput investigation of the mechanical properties of neurons, is demonstrated.

Keywords: axonal growth, axonal guidance, force probe, pipette micromanipulation, neurite tension, neuron mechanics

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Authors: Hooman Mehdizadeh Rad, Jai Singh

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Organic solar cells (OSCs) have been actively investigated in the last two decades due to their several merits such as simple fabrication process, low-cost manufacturing, and lightweight. In this paper, using the optical transfer matrix method (OTMM) and solving the drift-diffusion equations processes of recombination are studied in inverted and conventional bulk heterojunction (BHJ) OSCs. Two types of recombination processes are investigated: 1) recombination of free charge carriers using the Langevin theory and 2) of trapped charge carriers in the tail states with exponential energy distribution. These recombination processes are incorporated in simulating the current- voltage characteristics of both conventional and inverted BHJ OSCs. The results of this simulation produces a higher power conversion efficiency in the inverted structure in comparison with conventional structure, which agrees well with the experimental results.

Keywords: conventional organic solar cells, exponential tail state recombination, inverted organic solar cells, Langevin recombination

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Authors: Kavitha Madhu, Karthik K. Srinivasan, R. Sivanandan

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Indian traffic can be considered as mixed and heterogeneous due to the presence of various types of vehicles that operate with weak lane discipline. Consequently, vehicles can position themselves anywhere in the traffic stream depending on availability of gaps. The choice of lateral positioning is an important component in representing and characterizing mixed traffic. The field data provides evidence that the trajectory of vehicles in Indian urban roads have significantly varying longitudinal and lateral components. Further, the notion of headway which is widely used for homogeneous traffic simulation is not well defined in conditions lacking lane discipline. From field data it is clear that following is not strict as in homogeneous and lane disciplined conditions and neighbouring vehicles ahead of a given vehicle and those adjacent to it could also influence the subject vehicles choice of position, speed and acceleration. Given these empirical features, the suitability of using headway distributions to characterize mixed traffic in Indian cities is questionable, and needs to be modified appropriately. To address these issues, this paper attempts to analyze the time gap distribution between consecutive vehicles (in a time-sense) crossing a section of roadway. More specifically, to characterize the complex interactions noted above, the influence of composition, manoeuvre types, and lateral placement characteristics on time gap distribution is quantified in this paper. The developed model is used for evaluating various performance measures such as link speed, midblock delay and intersection delay which further helps to characterise the vehicular fuel consumption and emission on urban roads of India. Identifying and analyzing exact interactions between various classes of vehicles in the traffic stream is essential for increasing the accuracy and realism of microscopic traffic flow modelling. In this regard, this study aims to develop and analyze time gap distribution models and quantify it by lead lag pair, manoeuvre type and lateral position characteristics in heterogeneous non-lane based traffic. Once the modelling scheme is developed, this can be used for estimating the vehicle kilometres travelled for the entire traffic system which helps to determine the vehicular fuel consumption and emission. The approach to this objective involves: data collection, statistical modelling and parameter estimation, simulation using calibrated time-gap distribution and its validation, empirical analysis of simulation result and associated traffic flow parameters, and application to analyze illustrative traffic policies. In particular, video graphic methods are used for data extraction from urban mid-block sections in Chennai, where the data comprises of vehicle type, vehicle position (both longitudinal and lateral), speed and time gap. Statistical tests are carried out to compare the simulated data with the actual data and the model performance is evaluated. The effect of integration of above mentioned factors in vehicle generation is studied by comparing the performance measures like density, speed, flow, capacity, area occupancy etc under various traffic conditions and policies. The implications of the quantified distributions and simulation model for estimating the PCU (Passenger Car Units), capacity and level of service of the system are also discussed.

Keywords: lateral movement, mixed traffic condition, simulation modeling, vehicle following models

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Authors: K. Thakkar, C. Ghenai

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An integrated modeling approach was used in this study to (1) track energy consumption, production, and resource extraction, (2) track greenhouse gases emissions and (3) analyze emissions for local and regional air pollutions. The model was used in this study for short and long term energy and GHG emissions reduction analysis for the state of Florida. The integrated modeling methodology will help to evaluate the alternative energy scenarios and examine emissions-reduction strategies. The mitigation scenarios have been designed to describe the future energy strategies. They consist of various demand and supply side scenarios. One of the GHG mitigation scenarios is crafted by taking into account the available renewable resources potential for power generation in the state of Florida to compare and analyze the GHG reduction measure against ‘Business As Usual’ and ‘Florida State Policy’ scenario. Two more ‘integrated’ scenarios, (‘Electrification’ and ‘Efficiency and Lifestyle’) are crafted through combination of various mitigation scenarios to assess the cumulative impact of the reduction measures such as technological changes and energy efficiency and conservation.

Keywords: energy planning, climate change mitigation assessment, integrated modeling approach, energy alternatives, and GHG emission reductions

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Authors: Muhammad Faiz Liew Abdullah, Bhagwan Das, Nor Shahida, Abdul Fattah Chandio

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This study presents the designed features of Graphical User Interface (GUI) for chromatic dispersion (CD) reduction using digital signal processing (DSP) techniques. GUI is specially designed for windows platform. The obtained simulation results from matlab are presented via this GUI. After importing results from matlab in GUI, It will present your work on any windows7 and onwards versions platforms without matlab software. First part of the GUI contains the research methodology block diagram and in the second part, output for each stage is shown in separate reserved area for the result display. Each stage of methodology has the captions to display the results. This GUI will be very helpful during presentations instead of making slides this GUI will present all your work easily in the absence of other software’s such as Matlab, Labview, MS PowerPoint. GUI is designed using C programming in MS Visio Studio.

Keywords: Matlab simulation results, C programming, MS VISIO studio, chromatic dispersion

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Authors: E. Livya, G. Anitha, P. Valli

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The main objective of aircraft aerodynamics is to enhance the aerodynamic characteristics and maneuverability of the aircraft. This enhancement includes the reduction in drag and stall phenomenon. The airfoil which contains dimples will have comparatively less drag than the plain airfoil. Introducing dimples on the aircraft wing will create turbulence by creating vortices which delays the boundary layer separation resulting in decrease of pressure drag and also increase in the angle of stall. In addition, wake reduction leads to reduction in acoustic emission. The overall objective of this paper is to improve the aircraft maneuverability by delaying the flow separation point at stall and thereby reducing the drag by applying the dimple effect over the aircraft wing. This project includes both computational and experimental analysis of dimple effect on aircraft wing, using NACA 0018 airfoil. Dimple shapes of Semi-sphere, hexagon, cylinder, square are selected for the analysis; airfoil is tested under the inlet velocity of 30m/s at different angle of attack (5˚, 10˚, 15˚, 20˚, and 25˚). This analysis favours the dimple effect by increasing L/D ratio and thereby providing the maximum aerodynamic efficiency, which provides the enhanced performance for the aircraft.

Keywords: airfoil, dimple effect, turbulence, boundary layer separation

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Authors: Somayeh Azizi, Mohammad Hossein Ehsani, Amir Zareidoost

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In this research, a technique has been developed to reduce the corrosion rate of magnesium (Mg) metal by creating Zr-Nb thin film coatings. In this regard, thin-film coatings of niobium (Nb) zirconium (Zr) double alloy are applied on pure Mg specimens under different processes conditions, such as the change of the substrate temperature, substrate bias, and coating thickness using the magnetron sputtering method. Then, deposited coatings are analyzed in terms of surface features via field-emission scanning electron microscopy (FE-SEM), thin-layer X-ray diffraction (GI-XRD), energy-dispersive X-ray spectroscopy (EDS), atomic force microscopy (AFM), and corrosion tests. Also, nano-scratch tests were carried out to investigate the adhesion of the thin film. The results showed that the (Zr-Nb) thin films could control the degradation rate of Mg in the simulated body fluid (SBF). The nano-scratch studies depicted that the (Zr-Nb) thin films have a proper adhesion with the Mg substrate. Therefore, this technique could be used to enhance the corrosion resistance of bare Mg and could result in improving the performance of the biodegradable Mg implant for orthopedic applications.

Keywords: (Zr-Nb) thin film, magnetron sputtering, biodegradable Mg, degradation rate

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Authors: Rominkumar Busa, Shahira K. C., Lijiya A.

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Text recognition is an important area in computer vision which deals with detecting and recognising text from an image. The Optical Character Recognition (OCR) is a saturated area these days and with very good text recognition accuracy. However the same OCR methods when applied on text with small font sizes like the text data of chart images, the recognition rate is less than 30%. In this work, aims to extract small text in images using the deep learning model, CRNN with CTC loss. The text recognition accuracy is found to improve by applying image enhancement by super resolution prior to CRNN model. We also observe the text recognition rate further increases by 18% by applying the proposed method, which involves super resolution and character segmentation followed by CRNN with CTC loss. The efficiency of the proposed method shows that further pre-processing on chart image text and other small text images will improve the accuracy further, thereby helping text extraction from chart images.

Keywords: small text extraction, OCR, scene text recognition, CRNN

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Authors: Alicia Muñoz, Pedro Oyola, Cristian Henriquez

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Pollution in Santiago de Chile has a spatial variability due to different factors, including meteorological parameters and emission sources. Socioenvironmental aspects are also significant for pollution in the canopy layer since it influences the type of edification, vegetal mass proportion and other environmental conditions. This study analyzes spatially urban pollution in Santiago, specifically, from the bike path perspective. Bike paths are located in high traffic zones, as consequence, users are constantly exposed to urban pollution. Measurements were made at the higher polluted hour, three days a week, including three transit regimes, on the most polluted month of the year. The environmental parameters are fine particulate matter (Model 8520, DustTrak Aerosol Monitor, TSI), temperature and relative humidity; it was also considerate urban parameters as sky view factor and vegetal mass. Identification of an environmental injustice will be achieved with a spatial modeling, including all urban factors and environmental mediations with an economic index of population.

Keywords: canopy layer, environmental injustice, spatial modeling, urban pollution

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Authors: A. Mohammed, R. Lewis, M. Marshall

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Commonly used coatings to protect tools in die casting were used. A heat treatment and then surface coating can have a large effect on erosion damage. Samples have been tested to evaluate their resistances to erosive wear and to assess how this compares with behaviour seen for untreated material. Five commercial (PN + TiN), (PN + TiAlCN), (TiN X 2), (TiN), and (TiAlCN) coatings have been evaluated for their wear resistance. The objective was to permit an optimized selection of coatings to be used to give good resistance to erosive wear. A test-Rig has been developed to study the erosive wear in aluminium die casting and provide an environment similar to industrial operation that is more practical than using actual machines. These surfaces were analysed using a Scanning Electron Microscope (SEM) and Optical Microscopes each with a different level of resolution. Examination of coating materials revealed an important parameter associated with the failure of the coating materials.This was adhesion of the coating material to the substrate surface. A well-adhered coating withstands wear much better compared to the poorest-adhering coating.

Keywords: solid particle erosion, PVD-coatings, steel, erosion testing

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Authors: Cho-Liang Chung

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Uniform and rapid drug release are important for trauma dressing application. Low glass transition polymer system and non-woven nanofiber structures as the designs conduct rapid-release characteristics. In this study, polyvinylpyrrolidone, polysulfone, and polystyrene were dissolved in dimethylformamide to form precursor solution. These solutions were blended with vitamin C to form the electrospinning solutions. The non-woven nanofibers structures were successfully prepared using an electrospinning process. The following instruments were used to analyze the characteristics of non-woven nanofibers structures: Atomic force microscopy (AFM), Field Emission Scanning Electron Microscope (FE-SEM), and X-ray Diffraction (XRD). The AFM was used to scan the nanofibers. 3D Graphics were applied to explore the surface morphology of nanofibers. FE-SEM was used to explore the morphology of non-woven structures. XRD was used to identify crystal structures in the non-woven structures. The evolution of morphology of non-woven structures was changed dramatically in different durations, because of the moisture absorption and decreasing glass transition temperature; the non-woven nanofiber structures can be applied to uniform and rapid drug release for trauma dressing application.

Keywords: nanofibers, non-woven, electrospinning process, rapid drug releasing

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Authors: R. Yuvakkumar, S. I. Hong

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Visible light driven monoclinic α-Bi2O3 photocatalyst was synthesized employing green synthesis method using rambutan peel wastes. 10 ml rambutan extract was added to 50 ml of 0.1M Bi(NO3)3 under stirring at about 80°C for 2 hours. The centrifuged and dried product was calcinated in a muffle furnace at 450°C to get pure α-Bi2O3. The characterized product photocatalytic activity was evaluated employing methyl orange (MeO) as model pollutant with 10 mg l-1 concentration at pH 7. The obtained product optical absorption edges located at 484 nm clearly revealed the photocatalyst excitation by visible light irradiation. The obtained yellow color photocatalyst accord with its strong absorption spectrum revealed the visible light absorption due to the band gap transition. The band gap energy of α-Bi2O3 was estimated to be 2.81 eV indicating the absorption of α-Bi2O3 in visible light region. The photocatalytic results of MeO degradation revealed that green synthesized Bi2O3 can effectively degrade 92% MeO within 240 min under visible light (>400 nm), which is slightly increased to that of chemically synthesized Bi2O3 (90%).

Keywords: green synthesis, bismuth oxide, photocatalytic activity, nano

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Authors: Clince Rodrigues

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Due to high dense areas, there is a continuous increase in the global warming and urban pollution, thus integrating green with the built environment is vital. The paper deals with the understanding of vegetation in architecture and how a proper design strategy can aim at improving not only the performances of buildings but also the outdoor climate. In the present scenario of cities, one cannot inhale pure air. Vegetations combat global warming by absorbing the carbon emitted by vehicles, lowering carbon emissions from fossil fuel-burning plants, and reducing the energy used for climate control in buildings by the use of plants which can reduce the carbon emission and thus, making the environment less polluted. A comparative study of areas, neighborhood and dwelling unit has been used as a scope for understanding different scenarios and scale. By comparing a system (area; building) with and without vegetation, and then finding out the difference. Understanding the Vijayawada city by taking its past and present conditions, and how these changes have affected the environment and people at a macro and micro level. Built environment and climactic performance at the building level and surrounding spaces are the areas that are covered in the study.

Keywords: climate, environment, neighborhood, pollution, vegetation, Vijayawada, urban

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Authors: M. Mahdavi, M. Mohseni, R. Rafiei, H. Yari

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Environmental factors can deteriorate the automotive coatings significantly. Such as UV radiations, humidity, hot-cold shock and destructive chemical compounds. Furthermore, some natural materials such as bird droppings and tree gums have the potential to degrade the coatings as well. The present work aims to study the mechanism of degradation for two automotive refinish coating (PU based) systems exposed to two types of biological materials, i.e. Arabic gum and the simulated bird dropping, pancreatin. To reach this goal, effects of these biological materials on surface properties and appearance were studied using different techniques including digital camera, FT-IR spectroscopy, optical microscopy, and gloss measurements. In addition, the thermo-mechanical behavior of coatings was examined by DMTA. It was found that cross-linking had a crucial role on the biological resistance of clear coat. The higher cross-linking enhanced biological resistance.

Keywords: refinish clear coat, pancreatin, Arabic gum, cross-linking, biological degradation

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Authors: Debjit Dutta, P. Roy, O. Panella

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In recent years, non Hermitian interaction in non relativistic as well as relativistic quantum mechanics have been examined from various aspect. We can observe interesting fact that for such systems a class of potentials, namely the PT symmetric and η-pseudo Hermitian admit real eigenvalues despite being non Hermitian and analogues of those system have been experimentally verified. Point to be noted that relativistic non Hermitian (PT symmetric) interactions can be realized in optical structures and also there exists photonic realization of the (1 + 1) dimensional Dirac oscillator. We have thoroughly studied generalized Dirac oscillators with non Hermitian interactions in (1 + 1) dimensions. To be more specific, we have examined η pseudo Hermitian interactions within the framework of generalized Dirac oscillator in (1 + 1) dimensions. In particular, we have obtained a class of interactions which are η-pseudo Hermitian and the metric operator η could have been also found explicitly. It is possible to have exact solutions of the generalized Dirac oscillator for some choices of the interactions. Subsequently we have employed the mapping between the generalized Dirac oscillator and the Jaynes Cummings (JC) model by spin flip to obtain a class of exactly solvable non Hermitian JC as well as anti Jaynes Cummings (AJC) type models.

Keywords: Dirac oscillator, non-Hermitian quantum system, Hermitian, relativistic

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Authors: Piyas Palit, Urbi Pal, Jitendra Mathur, Santanu Das

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Bearing is an important machinery part in the industry. When bearings fail to meet their expected life the consequences are increased downtime, loss of revenue and missed the delivery. This article describes the failure of a gearbox bearing in rolling contact fatigue. The investigation consists of visual observation, chemical analysis, characterization of microstructures using optical microscopes and hardness test. The present study also considers bearing life as well as the operational condition of bearings. Surface-initiated rolling contact fatigue, leading to a surface failure known as pitting, is a life-limiting failure mode in many modern machine elements, particularly rolling element bearings. Metallography analysis of crack propagation, crack morphology was also described. Indication of fatigue spalling in the ferrography test was also discussed. The analysis suggested the probable reasons for such kind of failure in operation. This type of spalling occurred due to (1) heavier external loading condition or (2) exceeds its service life.

Keywords: bearing, rolling contact fatigue, bearing life

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Authors: Maman Ali M. Moustapha, Qian Yu, Benjamin Adjei Danquah

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This paper investigates the dynamic interaction between renewable energy consumption (REC) and economic growth using dataset from the Economic Community of West African States (ECOWAS) from 2002 to 2016. For this study the Autoregressive Distributed Lag- Bounds test approach (ARDL) was used to examine the long run relationship between real gross domestic product and REC, while VECM based on Granger causality has been used to examine the direction of Granger causality. Our empirical findings indicate that REC has significant and positive impact on real gross domestic product. In addition, we found that REC and the percentage of access to electricity had unidirectional Granger causality to economic growth while carbon dioxide emission has bidirectional Granger causality to economic growth. Our findings indicate also that 1 per cent increase in the REC leads to an increase in Real GDP by 0.009 in long run. Thus, REC can be a means to ensure sustainable economic growth in the ECOWAS sub-region. However, it is necessary to increase further support and investments on renewable energy production in order to speed up sustainable economic development throughout the region

Keywords: Economic Growth, Renewable Energy, Sustainable Development, Sustainable Energy

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Authors: M. D. Fontana, I. Bejaoui Ouni, D. Chapron, H. Aroui

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BaTiO3 (BT) is a well known ferroelectric material which has been thoroughly studied during several decades since it undergoes successive cubic-tetragonal-orthorhombic-rhombohedral phase transitions on cooling. It has several ferroelectric properties that allow it to be a good material for electronic applications such as the design of ferroelectric memories and pyroelectric elements. In the present work, we report the analysis of temperature dependence of Raman frequency and damping of the A1 modes polarized along the FE c axis as well as the optical phonons E corresponding to the ionic motions in the plane normal to c. Measurements were carried out at different temperatures ranging from 298 to 408 K (tetragonal phase) within different scattering configurations. Spectroscopic parameters of BT have determined using a high resolution Raman spectrometer and a fitting program. All the first order frequency modes exhibit a quasi linear decrease as function of the temperature, except for the A1[TO1], E[TO2] and E[TO4] lines which reveal a parabolic dependence illustrating an anharmonic process. The phonon frequency downshifts and damping evolutions are interpreted in terms of normal volume expansion and third- and fourth-order anharmonic potentials.

Keywords: BaTiO3, Raman spectroscopy, frequency, damping, anharmonic potential

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Authors: Muhammad Afzal, Muhammad Sajjad

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Climate change has become a global environmental challenge and it has affected the world’s economy. Its impact is widespread across all major sectors of the economy i.e. agriculture, industry, and services sectors. This study attempts to measure the long run as well as the short-run dynamic between energy; environment and economic growth by using Autoregressive Distributed Lag (ARDL) bound testing approach at aggregate as well as sectoral level. We measured the causal relationship between electricity consumption, fuel consumption, CO₂ emission, and real Gross Domestic Product (GDP) for the period of 1980 to 2016 for Pakistan. Our co-integration results reveal that all the variables are co-integrated at aggregate as well as at sectoral level. Electricity consumption shows two-way casual relation at for industry, services and aggregate level. The inverted U-Curve hypothesis tested the relationship between greenhouse gas emissions and per capita GDP and results supported the Environment Kuznet Curve (EKC) hypothesis. This study cannot ignore the importance of energy for economic growth but prefers to focus on renewable and green energy to pave on the trajectory of development.

Keywords: climate change, economic growth, energy, environment

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Authors: Erfan Ghasemi, Mohammadreza Khani, Hamidreza Mahmoudi, Mohammad Ali Nilforoushzadeh, Babak Shokri, Pouria Akbartehrani

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Given the global significance of treating infectious wounds, the goal of this study is to use spark plasma as a new treatment for infectious wounds. To generate spark plasma, a high-voltage (7 kV) and high-frequency (75 kHz) source was used. Infectious wounds in the peritoneum of mice were divided into control and plasma-treated groups at random. The plasma-treated animals received plasma radiation every 4 days for 12 days, for 60 seconds each time. On the 15th day after the first session, the wound in the plasma-treated group had completely healed. The spectra of spark plasma emission and tissue properties were studied. The mechanical resistance of the wound healed in the plasma treatment group was considerably higher than in the control group (p<0.05), according to the findings. Furthermore, histological evidence suggests that wound re-epithelialization is faster in comparison to controls. Angiogenesis and fibrosis (collagen production) were also dramatically boosted in the plasma-treated group, whereas the stage of wound healing inflammation was significantly reduced. Plasma therapy accelerated wound healing by causing considerable wound constriction. The results of this investigation show that spark plasma has an influence on the treatment of infectious wounds.

Keywords: infectious wounds, mice, spark plasma, treatment

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Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

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Authors: Mohamedou El Boukhary, Farba Bouyagui Tamboura, A. Hamady Barry, T. Moussa Seck, Mohamed L. Gaye

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Nowadays, low-schiff acyl-hydrazone ligands are highly sought after due to their wide applications in various fields of biology, coordination chemistry, and catalysis. They are studied for their antioxidant, antibacterial and antiviral properties. The complexes of transition metals and the lanthanide they derive are well known for their magnetic, optical, and catalytic properties. In this work, we present the synthesis of an acyl-hydrazone (H2L) schiff base and their 3d transition complexes. The ligand (H2L) is characterized by IR, NMR (1H; 13C) spectroscopy. The complexes are characterized by different physic-chemical techniques such as IR, UV-visible, conductivity, measurement of magnetic susceptibility. The study of XRD allowed us to elucidate the crystalline structure of the manganese (Mn) complex. The asymmetric unit of the complex is composed of two molecules of the ligand, one manganese (II) ion, and two coordinate chloride ions; the environment around Mn is described as a pentagonal base bipyramid. In the crystal lattice, the asymmetric unit is bound by hydrogen bonds.

Keywords: synthene, acyl-hydrazone, 3D transition metal complex, application

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Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

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Authors: Vatsal Patel, Niraj Shah

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This paper presents the results of a laboratory study on the properties of binary blended High Performance cementitious systems containing blends of ordinary Portland cement (OPC), Porcelain Powder or Marble Powder blend proportions of 100:00, 95:05, 90:10, 85:15, 80:20 for OPC: Porcelain Powder/Marble Powder. Studies on the Engineering Properties of the cementitious concrete, namely compressive strength, flexural strength, sorptivity, rapid chloride penetration test and accelerated corrosion test have been performed and those of OPC concrete. The results show that the inclusion of Porcelain powder or Marble Powder as binary blended cement alters to a great degree the properties of the binder as well as the resulting concrete. In addition, the results show that the Porcelain powder with 85:15 proportions and Marble powder with 90:10 proportions as binary systems to produce high-performance concrete could potentially be used in the concrete construction industry particular in lowering down the volume of OPC used and lowering emission of CO2 produces during manufacturing of cement.

Keywords: accelerated corrosion, binary blended cementitious system, rapid chloride penetration, sorptivity

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Authors: Ke Lin, Steve Wu Qing Yang, Zhang Nan

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The medicine and drugs has in the past been manufactured to the final products and then used laboratory analysis to verify their quality. However the industry needs crucially a monitoring technique for the final batch to batch quality check. The introduction of process analytical technology (PAT) provides an incentive to obtain real-time information about drugs on the production line, with the following optical techniques being considered: near-infrared (NIR) spectroscopy, Raman spectroscopy and imaging, mid-infrared spectroscopy with the use of chemometric techniques to quantify the final product. However, presents problems in that the spectra obtained will consist of many combination and overtone bands of the fundamental vibrations observed, making analysis difficult. In this work, we describe a non-destructive system and method for capsule and liquid medicine identification, more particularly, using terahertz time-domain spectroscopy and/or designed terahertz portable system for identifying different types of medicine in the package of capsule or in liquid medicine bottles. The target medicine can be detected directly, non-destructively and non-invasively.

Keywords: terahertz, non-destructive, non-invasive, chemical identification

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Authors: Delele Worku Ayele, Bing-Joe Hwang

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A method that does not employ hot injection techniques has been developed for the size-tunable synthesis of high-quality CdSe quantum dots (QDs) with a zinc blende structure. In this environmentally benign synthetic route, which uses relatively less toxic precursors, solvents, and capping ligands, CdSe QDs that absorb visible light are obtained. The size of the as-prepared CdSe QDs and, thus, their optical properties can be manipulated by changing the microwave reaction conditions. The QDs are characterized by XRD, TEM, UV-vis, FTIR, time-resolved fluorescence spectroscopy, and fluorescence spectrophotometry. In this approach, the reaction is conducted in open air and at a much lower temperature than in hot injection techniques. The use of microwaves in this process allows for a highly reproducible and effective synthesis protocol that is fully adaptable for mass production and can be easily employed to synthesize a variety of semiconductor QDs with the desired properties. The possible application of the as-prepared CdSe QDs has been also assessed using deposition on TiO2 films.

Keywords: average life time, CdSe QDs, microwave (MW), mass production oleic acid, Na2SeSO3

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Authors: H. Maachou, A. Chagnes, G. Cote

Abstract:

The present work reports the properties of chitosan/hydroxyapatite (Cs/HA: 100/00, 70/30 and 30/70) composite microspheres obtained by emulsification processing route. The morphology of chitosane microspheres was observed by a scanning electron microscope (SEM) which shows an aggregate of spherical microspheres with a particle size, determined by optical microscope, ranged from 4 to 10 µm. Thereafter, a biomimetic approach was used to study the in vitro biomineralization of these composites. It concerns the composites immersion in simulated body fluid (SBF) for different times. The deposited calcium phosphate was studied using X-ray diffraction analysis (XRD), FTIR spectroscopy and ICP analysis of phosphorus. In fact, the mineral formed on Cs/HA microspheres was a mixture of carbonated HA and β-TCP as showed by FTIR peaks at 1419,5 and 871,8 cm-1 and XRD peak at 29,5°. This formation was induced by the presence of HA in chitosan microspheres. These results are confirmed by SEM micrographs which chow the Ca-P crystals growth in form of cauliflowers. So, these materials are of great interest for bone regeneration applications due to their ability to nucleate calcium phosphates in presence of simulated body fluid (SBF).

Keywords: hydroxyapatite, chitosan, microsphere, composite, bone regeneration

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Authors: Sh. Gofurov, O. Ismailova, U. Makhmanov, A. Kokhkharov

Abstract:

The refractometric method has been used to determine optical properties of concentration features of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide at the room temperature. Changes in dielectric permittivity of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide in a wide range of concentrations (0÷1.0 molar fraction) have been studied using molecular dynamics method. The curves depending on the concentration of experimental data on excess refractive indices and excess dielectric permittivity were compared. It has been shown that stable heteromolecular complexes in binary solutions are formed in the concentration range of 0.3÷0.4 mole fractions. The real and complex part of dielectric permittivity was obtained from dipole-dipole autocorrelation functions of molecules. At the concentrations of C = 0.3 / 0.4 m.f. the heteromolecular structures with hydrogen bonds are formed. This is confirmed by the extremum values of excessive dielectric permittivity and excessive refractive index of aqueous solutions.

Keywords: refractometric method, aqueous solution, molecular dynamics, dielectric constant

Procedia PDF Downloads 262