Search results for: optical crosstalk

Authors: Gül Çevik

Abstract:

This paper summarizes the work conducted to assess the root cause of the failure of a medium commercial vehicle leaf spring failed in service. Macro- and micro-fractographic analyses by scanning electron microscope as well as material verification tests were conducted in order to understand the failure mechanisms and root cause of the failure. Findings from the fractographic analyses indicated that failure mechanism is fatigue. Crack initiation was identified to have occurred from a point on the top surface near to the front face and to the left side. Two other crack initiation points were also observed, however, these cracks did not propagate. The propagation mode of the fatigue crack revealed that the cyclic loads resulting in crack initiation and propagation were unidirectional bending. Fractographic analyses have also showed that the root cause of the fatigue crack initiation and propagation was loading the part above design stress. Material properties of the part were also verified by chemical composition analysis, microstructural analysis by optical microscopy and hardness tests.

Keywords: leaf spring, failure analysis, fatigue, fractography

Procedia PDF Downloads 133

Authors: Evans Belly, Imdad Rizvi, M. M. Kadam

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Satellite imagery is one of the emerging technologies which are extensively utilized in various applications such as detection/extraction of man-made structures, monitoring of sensitive areas, creating graphic maps etc. The main approach here is the automated detection of buildings from very high resolution (VHR) optical satellite images. Initially, the shadow, the building and the non-building regions (roads, vegetation etc.) are investigated wherein building extraction is mainly focused. Once all the landscape is collected a trimming process is done so as to eliminate the landscapes that may occur due to non-building objects. Finally the label method is used to extract the building regions. The label method may be altered for efficient building extraction. The images used for the analysis are the ones which are extracted from the sensors having resolution less than 1 meter (VHR). This method provides an efficient way to produce good results. The additional overhead of mid processing is eliminated without compromising the quality of the output to ease the processing steps required and time consumed.

Keywords: building detection, shadow detection, landscape generation, label, partitioning, very high resolution (VHR) satellite imagery

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Authors: M. A. Ghebouli, H. Choutri, B. Ghebouli , M. Fatmi, L. Louail

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We employed the density-functional perturbation theory (DFPT) within the generalized gradient approximation (GGA), the local density approximation (LDA) and the virtual-crystal approximation (VCA) to study the effect of composition on the structure, stability, energy gaps, electron effective mass, the dynamic effective charge, optical and acoustical phonon frequencies and static and high dielectric constants of the rock-salt CaxMg1-xSe and CaxMg1-xTe alloys. The computed equilibrium lattice constant and bulk modulus show an important deviation from the linear concentration. From the Voigt-Reuss-Hill approximation, CaxMg1-xSe and CaxMg1-xTe present lower stiffness and lateral expansion. For Ca content ranging between 0.25-0.75, the elastic constants, energy gaps, electron effective mass and dynamic effective charge are predictions. The elastic constants and computed phonon dispersion curves indicate that these alloys are mechanically stable.

Keywords: CaxMg1-xSe, CaxMg1-xTe, band structure, phonon

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Authors: Sudip Kumar Sinha, Saptarshi Ghosh

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While there’s a perpetual buzz around zinc oxide (ZnO) superstructures for their unique optical features, the versatile material has been constantly utilized to manifest tailored electronic properties through rendition of distinct morphologies. And yet, the unorthodox approach of implementing the novel 1D nanostructures of ZnO (pristine or doped) for volatile sensing applications has ample scope to accommodate new unconventional morphologies. In the last two decades, solid-state sensors have attracted much curiosity for their relevance in identifying pollutant, toxic and other industrial gases. In particular gas sensors based on metal oxide semiconducting (wide Eg) nanomaterials have recently attracted intensive attention owing to their high sensitivity and fast response and recovery time. These materials when exposed to air, the atmospheric O2 dissociates and get absorb on the surface of the sensors by trapping the outermost shell electrons. Finally a depleted zone on the surface of the sensors is formed, that enhances the potential barrier height at grain boundary . Once a target gas is exposed to the sensor, the chemical interaction between the chemisorbed oxygen and the specific gas liberates the trapped electrons. Therefore altering the amount of adsorbate is a considerable approach to improve the sensitivity of any target gas/vapour molecule. Likewise, this study presents a spontaneous but self catalytic creation of Sn-doped ZnO hexagonal nanoprisms on Si (100) substrates through thermal evaporation-condensation method, and their subsequent deployment for volatile sensing. In particular, the sensors were utilized to detect molecules of ethanol, acetone and ammonia below their permissible exposure limits which returned sensitivities of around 85%, 80% and 50% respectively. The influence of Sn concentration on the growth, microstructural and optical properties of the nanoprisms along with its role in augmenting the sensing parameters has been detailed. The single-crystalline nanostructures have a typical diameter ranging from 300 to 500 nm and a length that extends up to few micrometers. HRTEM images confirmed the hexagonal crystallography for the nanoprisms, while SAED pattern asserted the single crystalline nature. The growth habit is along the low index <0001>directions. It has been seen that the growth mechanism of the as-deposited nanostructures are directly influenced by varying supersaturation ratio, fairly high substrate temperatures, and specified surface defects in certain crystallographic planes, all acting cooperatively decide the final product morphology. Room temperature photoluminescence (PL) spectra of this rod like structures exhibits a weak ultraviolet (UV) emission peak at around 380 nm and a broad green emission peak in the 505 nm regime. An estimate of the sensing parameters against dispensed target molecules highlighted the potential for the nanoprisms as an effective volatile sensing material. The Sn-doped ZnO nanostructures with unique prismatic morphology may find important applications in various chemical sensors as well as other potential nanodevices.

Keywords: gas sensor, HRTEM, photoluminescence, ultraviolet, zinc oxide

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Authors: D. Erdenechimeg, T. Bujinlkham, N. Erdenepurev

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The anti-corrosion performance of fatty acid coated mild steel samples is studied. Samples of structural steel coated with collector reagents deposited from surfactant in ethanol solution and overcoated with an epoxy barrier paint. A quantitative corrosion rate was determined by linear polarization resistance method using biopotentiostat/galvanostat 400. Coating morphology was determined by scanning electronic microscopy. A test for hydrophobic surface of steel by surfactant was done. From the samples, the main component or high content iron was determined by chemical method and other metal contents were determined by Inductively Coupled Plasma-Optical Emission Spectrometry (ICP-OES) method. Prior to measuring the corrosion rate, mechanical and chemical treatments were performed to prepare the test specimens. Overcoating the metal samples with epoxy barrier paint after exposing them with surfactant the corrosion rate can be inhibited by 34-35 µm/year.

Keywords: corrosion, linear polarization resistance, coating, surfactant

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Authors: Michael Koblischka, Yassine Slimani, Thomas Karwoth, Anjela Koblischka-Veneva, Essia Hannachi

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On bulk FeSe superconductors containing different additions of Ag, a thorough investigation of the microstructures was performed using optical microscopy, SEM and TEM. The electrical resistivity was measured using four-point measurements in the temperature range 2 K ≤ T ≤ 150 K. The data obtained are analyzed in the framework of the excess conductivity approach using the Aslamazov-Larkin (AL) model. The investigated samples comprised of five distinct fluctuation regimes, namely short-wave (SWF), onedimensional (1D), two-dimensional (2D), three-dimensional (3D), and critical (CR) fluctuation regimes. The coherence length along the c-axis at zero-temperature (ξc(0)), the lower and upper critical magnetic fields (Bc1 and Bc2), the critical current density (Jc) and numerous other superconducting parameters were estimated with respect to the Ag content in the samples. The data reveal a reduction of the resistivity and a strong decrease of ξc(0) when doping the 11-samples with silver. The optimum content of the Ag-addition is found at 4 wt.-% Ag, yielding the highest critical current density.

Keywords: iron-based superconductors, FeSe, Ag-addition, excess conductivity, microstructure

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Authors: Ekkehard Fehling, Paul Capewell

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In recent years, the importance of masonry glued by polyurethane adhesive has increased. In 2021, the Institute of Structural Engineering of the University of Kassel was commissioned to carry out quasi-static in-plane shear tests on prefabricated brick masonry panel systems with 2K PUR adhesive in order to investigate the load-bearing behavior during earthquakes. In addition to the usual measurement of deformations using displacement transducers, all tests were documented using an optical measuring system (“GOM”), which was used to determine the surface strains and deformations of the test walls. To compare the results with conventional mortar walls, additional reference tests were carried out on test specimens with thin-bed mortar joints. This article summarizes the results of the test program and provides a comparison between the load-bearing behavior of masonry bonded with polyurethane adhesive and thin bed mortar in order to enable realistic non-linear modeling.

Keywords: masonry, shear tests, in-plane, polyurethane adhesive

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Authors: Chun-Ying Lee, Mei-Wen Wu, Li-Yi Cheng, Chiang-Ho Cheng

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This research studies the electroplating of zinc coating in the zinc chloride bath mixed with supercritical CO2. The sodium fluoride (NaF) was used as the bath additive to change the structure and property of the coating, and therefore the roughness and corrosion resistance of the zinc coating was investigated. The surface characterization was performed using optical microscope (OM), X-ray diffractometer (XRD), and α-step profilometer. Moreover, the potentiodynamic polarization measurement in 3% NaCl solution was employed in the corrosion resistance evaluation. Because of the emulsification of the electrolyte mixed in Sc-CO2, the electroplated zinc produced the coating with smoother surface, smaller grain, better throwing power and higher corrosion resistance. The main role played by the NaF was to reduce the coating’s roughness and grain size. In other words, the CO2 mixed with the electrolyte under the supercritical condition performed the similar function as brighter and leveler in zinc electroplating to enhance the throwing power and corrosion resistance of the coating.

Keywords: supercritical CO2, zinc-electroplating, sodium fluoride, electroplating

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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: Pemika Ketsuwan, Pitt Supaphol, Manit Nithitanakul

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A typical used of ethylene methyl acrylate (EMA) gasket is in the manufacture of optical lens, and often, they are deteriorated rapidly due to high temperature during the process. The objective of this project is to improve the thermal stability of the EMA copolymer gasket by preparing EMA with cellulose and silica composites. Hydroxy propyl methyl cellulose (HPMC) and Carboxy methyl cellulose (CMC) were used in preparing of EMA/cellulose composites and fumed silica (SiO2) was used in preparing EMA/silica composites with different amounts of filler (3, 5, 7, 10, 15 wt.%), using a twin screw extruder at 160 °C and the test specimens were prepared by the injection molding machine. The morphology and dispersion of fillers in the EMA matrix were investigated by field emission scanning electron microscopy (FESEM). The thermal stability of the composite was determined by thermal gravimetric analysis (TGA), and differential scanning calorimeter (DSC). Mechanical properties were evaluated by tensile testing. The developed composites were found to enhance thermal and mechanical properties when compared to that of the EMA copolymer alone.

Keywords: ethylene methyl acrylate, HPMC, Silica, Thermal stability

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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: 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: 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

Procedia PDF Downloads 125

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: 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: 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

Procedia PDF Downloads 171

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: 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: Bekhedda Kheira

Abstract:

Rare earth-doped luminescent materials (Ce, Eu, Yb, Tb, etc.) are now widely used in flat-screen displays, fluorescent lamps, and photovoltaic solar cells. They exhibit several fine emission bands in a spectral range from near UV to infrared when added to inorganic materials. This study chose cerium oxide (CeO2) because of its exceptional intrinsic properties, energy levels, and ease of implementation of doped layer synthesis. In this study, thin films were obtained by the evaporation deposition technique of cerium oxide (CeO2) on silicon Nitride (SiNx) layers and then annealing under nitrogen N2. The characterization of these films was carried out by different techniques, scanning electron microscopy (SEM) to visualize morphological properties and (EDS) was used to determine the elemental composition of individual dots, optical analysis characterization of thin films was studied by a spectrophotometer in reflectance mode to determine different energies gap of the nanostructured layers and to adjust these values for the photovoltaic application.

Keywords: thin films, photovoltaic, rare earth, evaporation

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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

Abstract:

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

Procedia PDF Downloads 339

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: Metodi Mladenov

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Heavy metals contamination of soils is a big problem mainly as a result of industrial production. From this point of view, this is of interests the processes for decontamination of soils for crop of production with low content of heavy metals and suitable for consumption from the animals and the peoples. In the current article, there are presented data for established changes in chemical composition and ecological state on soils contaminated from non-ferrous metallurgy manufacturing, for seven years time period. There was done investigation on alteration of pH, conductivity and contain of the next elements: As, Cd, Cu, Cr, Ni, Pb, Zn, Co, Mn and Al. Also, there was done visual observations under the processes of recovery of root-inhabitable soil layer and reforestation. Obtained data show friendly changes for the investigated indicators pH and conductivity and decreasing of content of some form analyzed elements. Visual observations show augmentation of plant cover areas and change in species structure with increase of number of shrubby and wood specimens.

Keywords: conductivity, contamination of soils, chemical composition, inductively coupled plasma–optical emission spectrometry, heavy metals, visual observation

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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

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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

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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

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Authors: A. Hamma, A. Pegoretti

Abstract:

The paper focuses on the evaluation of mechanical performances and viscoelastic behaviour of starch-grafted-PP reinforced with kenaf fibres. Investigations were carried out on composites prepared by melt compounding and compression molding. Two aspects have been taken into account, the effects of various fibres loading rates (10, 20 and 30 wt.%) and the fibres aspect ratios (L/D=30 and 160). Good fibres/matrix interaction has been evidenced by SEM observations. However, processing induced variation of fibre length quantified by optical microscopy observations. Tensile modulus and ultimate properties, hardness and tensile impact stress, were found to remarkably increase with fibre loading. Moreover, short term tensile creep tests have proven that kenaf fibres improved considerably the creep stability. Modelling of creep behaviour by a four parameter Burger model was successfully used. An empirical equation involving Halpin-Tsai semi empirical model was also used to predict the elastic modulus of composites.

Keywords: mechanical properties, creep, fibres, thermoplastic composites, starch-grafted-PP

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