Search results for: inelastic spectra

Authors: Aarti Muley, S. J. Dhoblae

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CaF₂ and BaF₂ doped with cerium were prepared by slow precipitation method with different molar concentration and different cerium concentration. Both the samples were also prepared by direct method for comparison. The XRD of BaF₂:Ce shows that it crystallizes to BCC structure. The peak matches with JCPDS file no. 4-0452. Also, The XRD pattern of CaF₂:Ce matches well with the JCPDS file number 75- 0363 and crystallized to BCC phase. In CaF₂, the double-humped photoluminescence spectra were observed at 320nm and 340nm when the sample was prepared by the direct precipitation method, and the ratio between these peaks is unity. However when the sample prepared by slow precipitation method the double-humped emission spectra of CaF₂:Ce was observed at 323nm and 340nm. The ratio between these peaks is 0.58, and the optimum concentration is obtained for 0.1 molar CaF₂ with Ce concentration 1.5%. When the cerium concentration is increased by 2% the peak at 323nm vanishes, and the emission was observed at 342nm with the shoulder at 360nm. In this case, the intensity reduces drastically. The excitation is observed at 305nm with a small peak at 254nm. One molar BaF₂ doped with 0.1% of cerium was synthesized by direct precipitation method gives double humped spectra at 308nm and 320nm, when it is prepared with slow precipitation method with the cerium concentration 0.05m%, 0.1m%, 0.15m%, 0.2m% the broad emission is observed around 325nm with the shoulder at 350nm. The excitation spectra are narrow and observed at 290nm. As the percentage of cerium is increased further again shift is observed. The emission spectra were observed at 360nm with a small peak at 330nm. The phenomenon of shifting of emission spectra at low concentration of cerium can directly relate with the particle size and reported for nanomaterials also.

Keywords: calcium fluoride, barium fluoride, photoluminescence, slow precipitation method

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Authors: Mahamuda Sk, Srinivasa Rao Allam, Vijaya Prakash G.

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The different concentrations of Eu3+ ions doped in Oxy-fluoroborate glasses of composition 60 B2O3-10 BaF2-10 CaF2-15 CaF2- (5-x) Al2O3 -x Eu2O3 where x = 0.1, 0.5, 1.0 and 2.0 mol%, have been prepared by conventional melt quenching technique and are characterized through absorption and photoluminescence (PL), decay, color chromaticity and Confocal measurements. The absorption spectra of all the glasses consists of six peaks corresponding to the transitions 7F0→5D2, 7F0→5D1, 7F1→5D1, 7F1→5D0, 7F0→7F6 and 7F1→7F6 respectively. The experimental oscillator strengths with and without thermal corrections have been evaluated using absorption spectra. Judd-Ofelt (JO) intensity parameters (Ω2 and Ω4) have been evaluated from the photoluminescence spectra of all the glasses. PL spectra of all the glasses have been recorded at excitation wavelengths 395 nm (conventional excitation source) and 410 nm (diode laser) to observe the intensity variation in the PL spectra. All the spectra consists of five emission peaks corresponding to the transitions 5D0→7FJ (J = 0, 1, 2, 3 and 4). Surprisingly no concentration quenching is observed on PL spectra. Among all the glasses the glass with 2.0 mol% of Eu3+ ion concentration possesses maximum intensity for the transition 5D0→7F2 (612 nm) in bright red region. The JO parameters derived from the photoluminescence spectra have been used to evaluate the essential radiative properties such as transition probability (A), radiative lifetime (τR), branching ratio (βR) and peak stimulated emission cross-section (σse) for the 5D0→7FJ (J = 0, 1, 2, 3 and 4) transitions of the Eu3+ ions. The decay rates of the 5D0 fluorescent level of Eu3+ ions in the title glasses are found to be single exponential for all the studied Eu3+ ion concentrations. A marginal increase in lifetime of the 5D0 level has been noticed with increase in Eu3+ ion concentration from 0.1 mol% to 2.0 mol%. Among all the glasses, the glass with 2.0 mol% of Eu3+ ion concentration possesses maximum values of branching ratio, stimulated emission cross-section and quantum efficiency for the transition 5D0→7F2 (612 nm) in bright red region. The color chromaticity coordinates are also evaluated to confirm the reddish luminescence from these glasses. These color coordinates exactly fall in the bright red region. Confocal images also recorded to confirm reddish luminescence from these glasses. From all the obtained results in the present study, it is suggested that the glass with 2.0 mol% of Eu3+ ion concentration is suitable to emit bright red color laser.

Keywords: Europium, Judd-Ofelt parameters, laser, luminescence

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Authors: S. Mohamadi, T. Boudina, A. Rouabeh, A. Seridi

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Equivalent linear and non-linear ground response analyses are conducted at many representative sites at the mosque of Algeria, to compare the free field acceleration spectra with local code of practice. Spectral Analysis of Surface Waves (SASW) technique was adopted to measure the in-situ shear wave velocity profile at the representative sites. The seismic movement imposed on the rock is the NS component of Keddara station recorded during the earthquake in Boumerdes 21 May 2003. The site-specific elastic design spectra for each site are determined to further obtain site specific non-linear acceleration spectra. As a case study, the results of site-specific evaluations are presented for two building sites (site of minaret and site of the prayer hall) to demonstrate the influence of local geological conditions on ground response at Algerian sites. A comparison of computed response with the standard code of practice being used currently in Algeria for the seismic zone of Algiers indicated that the design spectra is not able to capture site amplification due to local geological conditions.

Keywords: equivalent linear, non-linear, ground response analysis, design response spectrum

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Authors: Chieh-Chun Chang, Cheng-Ting Shih, Yan-Lin Liu, Shu-Jun Chang, Jay Wu

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With the widespread use of digital mammography (DM), radiation dose evaluation of breasts has become important. X-ray spectra are one of the key factors that influence the absorbed dose of glandular tissue. In this study, we estimated the X-ray spectrum of DM using the expectation maximization (EM) algorithm with the transmission measurement data. The interpolating polynomial model proposed by Boone was applied to generate the initial guess of the DM spectrum with the target/filter combination of Mo/Mo and the tube voltage of 26 kVp. The Monte Carlo N-particle code (MCNP5) was used to tally the transmission data through aluminum sheets of 0.2 to 3 mm. The X-ray spectrum was reconstructed by using the EM algorithm iteratively. The influence of the initial guess for EM reconstruction was evaluated. The percentage error of the average energy between the reference spectrum inputted for Monte Carlo simulation and the spectrum estimated by the EM algorithm was -0.14%. The normalized root mean square error (NRMSE) and the normalized root max square error (NRMaSE) between both spectra were 0.6% and 2.3%, respectively. We conclude that the EM algorithm with transmission measurement data is a convenient and useful tool for estimating x-ray spectra for DM in clinical practice.

Keywords: digital mammography, expectation maximization algorithm, X-Ray spectrum, X-Ray

Procedia PDF Downloads 691

Authors: Mingmei Zhang, Xinyong Li

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Novel AgInS2/SnS2/RGO (AISR) heterojunctions photocatalysts were synthesized by simple hydrothermal method. The morphology and composition of the fabricated AISR nanocomposites were investigated by field-emission scanning electron microscopy (SEM), X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM) and X-ray photoelectron spectroscopy (XPS). Moreover, the as-prepared AISR photocatalysts exhibited excellent photocatalytic activities for the degradation of Norfloxacin (NOR), mainly due to its high optical absorption and separation efficiency of photogenerated electron-hole pairs, as evidenced by UV–vis diffusion reflection spectra (DRS) and Surface photovoltage (SPV) spectra. Furthermore, laser flash photolysis technique was conducted to test the lifetime of charge carriers of the fabricated nanocomposites. The interfacial charges transfer mechanism was also discussed.

Keywords: AISR heterojunctions, electron-hole pairs, SPV spectra, charges transfer mechanism

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Authors: G. Yakubova, A. Kavetskiy, S. A. Prior, H. A. Torbert

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In-situ soil carbon determination over large soil surface areas (several hectares) is required in regard to carbon sequestration and carbon credit issues. This capability is important for optimizing modern agricultural practices and enhancing soil science knowledge. Collecting and processing representative field soil cores for traditional laboratory chemical analysis is labor-intensive and time-consuming. The neutron-stimulated gamma analysis method can be used for in-situ measurements of primary elements in agricultural soils (e.g., Si, Al, O, C, Fe, and H). This non-destructive method can assess several elements in large soil volumes with no need for sample preparation. Neutron-gamma soil elemental analysis utilizes gamma rays issued from different neutron-nuclei interactions. This process has become possible due to the availability of commercial portable pulse neutron generators, high-efficiency gamma detectors, reliable electronics, and measurement/data processing software complimented by advances in state-of-the-art nuclear physics methods. In Pulsed Fast Thermal Neutron Analysis (PFTNA), soil irradiation is accomplished using a pulsed neutron flux, and gamma spectra acquisition occurs both during and between pulses. This method allows the inelastic neutron scattering (INS) gamma spectrum to be separated from the thermal neutron capture (TNC) spectrum. Based on PFTNA, a mobile system for field-scale soil elemental determinations (primarily carbon) was developed and constructed. Our scanning methodology acquires data that can be directly used for creating soil elemental distribution maps (based on ArcGIS software) in a reasonable timeframe (~20-30 hectares per working day). Created maps are suitable for both agricultural purposes and carbon sequestration estimates. The measurement system design, spectra acquisition process, strategy for acquiring field-scale carbon content data, and mapping of agricultural fields will be discussed.

Keywords: neutron gamma analysis, soil elemental content, carbon sequestration, carbon credit, soil gamma spectroscopy, portable neutron generators, ArcMap mapping

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Authors: Xingyu Peng, Qingyuan Hu, Xuebin Zhu, Xi Yuan

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Neutron spectrometry has contributed much to the development of nuclear physics since 1932 and has also become an importance tool in several other fields, notably nuclear technology, fusion plasma diagnostics and radiation protection. Compared with neutron fluxes, neutron spectra can provide more detailed information on the internal physical process of neutron sources, such as fast neutron reactors, fusion plasma, fission-fusion hybrid reactors, and so on. However, high performance neutron spectrometer is not so commonly available as it requires the use of large and complex instrumentation. This work describes the development and characterization of a compact magnetic proton recoil (MPR) spectrometer for high-resolution measurements of fast neutron spectra. The compact MPR spectrometer is featured by its large recoil angle, small size permanent analysis magnet, short beam transport line and dual-purpose detector array for both steady state and pulsed neutron spectra measurement. A 3-dimensional electromagnetic particle transport code is developed to simulate the response function of the spectrometer. Simulation results illustrate that the performance of the spectrometer is mainly determined by n-p recoil foil and proton apertures, and an overall energy resolution of 3% is achieved for 14 MeV neutrons. Dedicated experiments using alpha source and mono-energetic neutron beam are employed to verify the simulated response function of the compact MPR spectrometer. These experimental results show a good agreement with the simulated ones, which indicates that the simulation code possesses good accuracy and reliability. The compact MPR spectrometer described in this work is a valuable tool for fast neutron spectra measurements for the fission or fusion devices.

Keywords: neutron spectrometry, magnetic proton recoil spectrometer, neutron spectra, fast neutron

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Authors: B. Mohebi, N. Asadi, F. Kazemi

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Inelastic deformation of the brace in Special Concentrically Braced Frame (SCBF) creates inelastic damages on gusset plate connections such as buckling at edges. In this study, to improve the seismic performance of SCBFs connections, an analytical study was undertaken. To improve the gusset plate connection, this study proposes using ‎edge’s stiffeners in both sides of gusset plate.‎ For this purpose, in order to examine edge’s stiffeners effect on gusset plate connections, two groups of modeling with and without considering edge’s stiffener and different types of braces were modeled using ABAQUS software. The results show that considering the edge’s stiffener reduces the equivalent plastic strain values at a connection region of gusset plate with beam and column, which can improve the seismic performance of gusset plate. Furthermore, considering the edge’s stiffeners significantly decreases the strain concentration at regions where gusset plates have been connected to beam and column. Moreover, considering 2t_pl distance causes reduction in the plastic strain.

Keywords: special concentrically braced frame, gusset plate, edge's stiffener, seismic performance

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Authors: N. H. Hamid, M. S. Syaref, M. I. Adiyanto, M. Mohamed

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A one-half scale of single-bay two-storey RC frame together with foundation beam and mass concrete block is investigated. Moment resisting RC frame was designed using EC8 by including the provision for seismic loading and detailing of its connection. The objective of the experimental work is to determine seismic behaviour RC frame under in-plane lateral cyclic loading using displacement control method. A double actuator is placed at centre of the mass concrete block at top of frame to represent the seismic load. The percentage drifts are starting from ±0.01% until ±2.25% with increment of ±0.25% drift. The ultimate lateral load of 158.48 kN was recorded at +2.25% drift in pushing and -126.09 kN in pulling direction. From the experimental hysteresis loops, the parameters such as lateral strength capacity, stiffness, ductility and equivalent viscous damping can be obtained. RC frame behaves in the elastic manner followed by inelastic behaviour after reaches the yield limit. The ductility value for this type frame is 4 which lies between the limit 3 and 6. Therefore, it is recommended to build this RC frame for moderate seismic regions under Ductility Class Medium (DCM) such as in Sabah, East Malaysia.

Keywords: single bay, moment resisting RC frame, ductility class medium, inelastic behavior, seismic load

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Authors: Said Yousif Khairi

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Being a developing economy, imports of capital, raw materials and manufactories goods are vital for sustainable economic growth. In 2006, Libya imported LD 8 billion (US$ 6.25 billion) which composed of mainly machinery and transport equipment (49.3%), raw material (18%), and food products and live animals (13%). This represented about 10% of GDP. Thus, it is pertinent to investigate factors affecting the amount of Libyan imports. An econometric model representing the aggregate import demand for Libya was developed and estimated using the bounds test procedure, which based on an unrestricted error correction model (UECM). The data employed for the estimation was from 1970–2010. The results of the bounds test revealed that the volume of imports and its determinants namely real income, consumer price index and exchange rate are co-integrated. The findings indicate that the demand for imports is inelastic with respect to income, index price level and The exchange rate variable in the short run is statistically significant. In the long run, the income elasticity is elastic while the price elasticity and the exchange rate remains inelastic. This indicates that imports are important elements for Libyan economic growth in the long run.

Keywords: import demand, UECM, bounds test, Libya

Procedia PDF Downloads 332

Authors: Haleh Hamidpour

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Since the seismic damageability of structures is controlled by the inelastic deformation capacities of structural elements, seismic design of structure based on force analogy methods is not appropriate. In recent year, the basic approach of design codes have been changed from force-based approach to displacement-based. In this regard, a Direct Displacement-Based Design (DDBD) and a Performance-Based Plastic Design (PBPD) method are proposed. In this study, the efficiency of these two methods on seismic performance of structures is evaluated through a sample 12-story reinforced concrete moment frame. The building is designed separately based on the DDBD and the PBPD methods. Once again the structure is designed by the traditional force analogy method according to the FEMA P695 regulation. Different design method results in different structural elements. Seismic performance of these three structures is evaluated through nonlinear static and nonlinear dynamic analysis. The results show that the displacement-based design methods accommodate the intended performance objectives better than the traditional force analogy method.

Keywords: direct performance-based design, ductility demands, inelastic seismic performance, yield mechanism

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Authors: Swati Sharma, R. P. Sharma

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We intend to study the nonlinear evolution of the parallel propagating finite frequency Alfvén wave (also called Dispersive Alfvén wave/Hall MHD wave) propagating in the solar wind regime of the solar region when a perpendicularly propagating magnetosonic wave is present in the background. The finite frequency Alfvén wave behaves differently from the usual non-dispersive behavior of the Alfvén wave. To study the nonlinear processes (such as filamentation) taking place in the solar regions such as solar wind, the dynamical equation of both the waves are derived. Numerical simulation involving finite difference method for the time domain and pseudo spectral method for the spatial domain is then performed to analyze the transient evolution of these waves. The power spectra of the Dispersive Alfvén wave is also investigated. The power spectra shows the distribution of the magnetic field intensity of the Dispersive Alfvén wave over different wave numbers. For DAW the spectra shows a steepening for scales larger than the proton inertial length. This means that the wave energy gets transferred to the solar wind particles as the wave reaches higher wave numbers. This steepening of the power spectra can be explained on account of the finite frequency of the Alfvén wave. The obtained results are consistent with the observations made by CLUSTER spacecraft.

Keywords: solar wind, turbulence, dispersive alfven wave

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Authors: Luis F. Bianchessi, Gustavo G. Shimamoto, Matthieu Tubino

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The use of biodiesel has been diffused in Brazil and all over the world by the trading of biodiesel (B100). In Brazil, the diesel oil currently being sold is a blend, containing 7% biodiesel (B7). In this context, it is necessary to develop methods capable of identifying this blend composition, especially regarding the biodiesel quality used for making these blends. In this study, hydrogen nuclear magnetic resonance spectra (1H-NMR) are proposed as a form of identifying and confirming the quality of type B10 blends (10% of biodiesel and 90% of diesel). Furthermore, the presence of vegetable oils, which may be from fuel adulteration or as an evidence of low degree of transesterification conversion during the synthesis of B100, may also be identified. Mixtures of diesel, vegetable oils and their respective biodiesel were prepared. Soybean oil and macauba kernel oil were used as raw material. The diesel proportion remained fixed at 90%. The other proportion (10%) was varied in terms of vegetable oil and biodiesel. The 1H-NMR spectra were obtained for each one of the mixtures, in order to find a correlation between the spectra and the amount of biodiesel, as well as the amount of residual vegetable oil. The ratio of the integral of the methylenic hydrogen H-2 of glycerol (exclusive of vegetable oil) with respect to the integral of the olefinic hydrogens (present in vegetable oil and biodiesel) was obtained. These ratios were correlated with the percentage of vegetable oil in each mixture, from 0% to 10%. The obtained correlation could be described by linear relationships with R2 of 0.9929 for soybean biodiesel and 0.9982 for macauba kernel biodiesel. Preliminary results show that the technique can be used to monitor the biodiesel quality in commercial diesel-biodiesel blends, besides indicating possible adulteration.

Keywords: biodiesel, diesel, biodiesel quality, adulteration

Procedia PDF Downloads 584

Authors: Pouya Taraghi, Yong Li, Nader Yoosef-Ghodsi, Muntaseer Kainat, Samer Adeeb

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Buried pipelines play a crucial role in the transportation of energy products such as oil, gas, and various chemical fluids, ensuring their efficient and safe distribution. However, these pipelines are often susceptible to ground movements caused by geohazards like landslides, fault movements, lateral spreading, and more. Such ground movements can lead to strain-induced failures in pipes, resulting in leaks or explosions, leading to fires, financial losses, environmental contamination, and even loss of human life. Therefore, it is essential to study how buried pipelines respond when traversing geohazard-prone areas to assess the potential impact of ground movement on pipeline design. As such, this study introduces an approach called the Physics-Informed Neural Network (PINN) to predict the strain demand in inelastic pipes subjected to permanent ground displacement (PGD). This method uses a deep learning framework that does not require training data and makes it feasible to consider more realistic assumptions regarding existing nonlinearities. It leverages the underlying physics described by differential equations to approximate the solution. The study analyzes various scenarios involving different geohazard types, PGD values, and crossing angles, comparing the predictions with results obtained from finite element methods. The findings demonstrate a good agreement between the results of the proposed method and the finite element method, highlighting its potential as a simulation-free, data-free, and meshless alternative. This study paves the way for further advancements, such as the simulation-free reliability assessment of pipes subjected to PGD, as part of ongoing research that leverages the proposed method.

Keywords: strain demand, inelastic pipe, permanent ground displacement, machine learning, physics-informed neural network

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Authors: Sanjay Kumar

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This paper reports the solvent effects on the electronic absorption and fluorescence emission spectra of 6-OH-4-CH3, 7-OH-4-CH3 and 7-OH-4-CF3 coumarin derivatives having -OH, -CH3 and -CF3 substituent at different positions in various solvents (Polar and Non-Polar). The first excited singlet state dipole moment and ground state dipole moment were calculated using Bakhshiev, Kawski-Chamma-Viallet and Reichardt-Dimroth equations and were compared for all the coumarin studied. In all cases the dipole moments were found to be higher in the excited singlet state than in the ground state indicating a substantial redistribution of Π-electron density in the excited state. The angle between the excited singlet state and ground state dipole moment is also calculated. The red shift of the absorption and fluorescence emission bands, observed for all the coumarin studied upon increasing the solvent polarity indicating that the electronic transitions were Π → Π* nature.

Keywords: coumarin, solvent effects, absorption spectra, emission spectra, excited singlet state dipole moment, ground state dipole moment, solvatochromism

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Authors: Jose Alberto Duarte Moller, Cynthia Deisy Gomez Esparza

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The cobalt-titanium system was grown as thin films in an INTERCOVAMEX V3 sputtering system, equipped with four magnetrons assisted by DC pulsed and direct DC. A polished highly oriented (400) silicon wafer was used as substrate and the growing temperature was 500 oC. Xray Absorption Spectroscopy experiments were carried out in the SSRL in the 4-3 beam line. The Extenden X-Ray Absorption Fine Structure spectra have been numerically processed by WINXAS software from the background subtraction until the normalization and FFT adjustment. Analyzing the absorption spectra of cobalt in the CoTi2 phase we can appreciate that they agree in energy with the reference spectra that corresponds to the CoO, which indicates that the valence where upon working is Co2+. The RDF experimental results were then compared with those RDF´s generated theoretically by using FEFF software, from a model compound of CoTi2 phase obtained by XRD. The fitting procedure is a highly iterative process. Fits are also checked in R-space using both the real and imaginary parts of Fourier transform. Finally, the presence of overlapping coordination shells and the correctness of the assumption about the nature of the coordinating atom were checked.

Keywords: XAS, EXAFS, FEFF, CoTi

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Authors: Priyansha Sharma, Sibani Mund, Sivakumar Vaidyanathan

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Solid-state synthesis methods were used for the synthesis of pure red emissive Li¬3BaSrxCa(1-x)Eu2.7Gd0.3(MoO4)8 (x = 0.0 to 1.0) phosphors, XRD, SEM, and FTIR spectra were used to characterize the materials, and their optical properties were thoroughly investigated. PL studies were examined at different excitations 230 nm, 275nm, 465nm, and 395 nm. All the spectra show similar emissions with the highest transition at 616 nm due to ED transition. The given phosphor Li¬3BaSr0.25Ca0.75Eu2.7Gd0.3(MoO4)8 shows the highest intensity and is thus chosen for the temperature-dependent and Quantum yield study. According to the PL investigation, the phosphor-containing Eu3+ emits red light due to the (5D0 7F2) transition. The excitation analysis shows that all of the Eu3+ activated phosphors exhibited broad absorption due to the charge transfer band, O2-Mo6+, O2-Eu3+ transition, as well as narrow absorption bands related to the Eu3+ ion's 4f-4f electronic transition. Excitation spectra show Charge transfer band at 275 nm shows the highest intensity. The primary band in the spectra refers to Eu3+ ions occupying the lattice's non-centrosymmetric location. All of the compositions are monoclinic crystal structures with space group C2/c and match with reference powder patterns. The thermal stability of the 3BaSr0.25Ca0.75Eu2.7Gd0.3(MoO4)8 phosphor was investigated at (300 k- 500 K) as well as at low temperature from (20 K to 275 K) to be utilized for red and white LED fabrication. The Decay Lifetime of all the phosphor was measured. The best phosphor was used for White and Red LED fabrication.

Keywords: PL, phosphor, quantum yield, white LED

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Authors: M. Arunachalam, M. Pandey

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Nacre, a biological material that forms the inner-layer of sea shells can achieve high toughness and strength by way of staggered arrangement of strong tablets with soft and weak organic interface. Under applied loads the tablets slide over the adjacent tablets, thus generating inelastic deformation and toughness on macroscopic scale. A two dimensional finite element based homogenization methodology is adopted for obtaining the effective material properties of Nacre using a representative volume element (RVE) at finite deformations. In this work, the material behaviour for tablet and interface are assumed to be Isotropic elastic and Isotropic elastic-perfectly plastic with strain softening respectively. Numerical experiments such as uniaxial tension test along X, Y directions and simple shear test are performed on the RVE with uniform displacement and periodic constraints applied at the RVE boundaries to obtain the anisotropic homogenized response and maximum local stresses within each constituents of Nacre. Homogenized material model is then tested for macroscopic structure under three point bending condition and the results obtained are comparable with the results obtained for detailed microstructure based structure, thus homogenization provides a bridge between macroscopic scale and microscopic scale and homogenized material properties obtained from microstructural (RVE) analysis could be used in large scale structural analysis.

Keywords: finite element, homogenization, inelastic deformation, staggered arrangement

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Authors: Mohamed Abdelmounim Bakkali, Mustapha El Mataouy, Abellatif Aaliti, Mouhamed Khaddor

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In the paper, we study the effects of introducing hafnium oxide on Raman spectra of silica glass planar waveguide activated by 0.3 mol% Er3+ ions. This work compares Raman spectra measured for three thin films deposited on silicon substrate. The films were prepared with different molar ratio of Si/Hf using sol-gel method and deposited by dip coating technique. The effect of hafnium oxide incorporation on the waveguides shows the evolution of the structure of this material. This structural information is useful to understand the luminescence intensity by means of ion–ion interaction mechanisms.

Keywords: optical amplifiers, non-bridging oxygen, erbium, sol-gel, waveguide, silica-hafnia

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Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy

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Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.

Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids

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Authors: Khidir R. Sharaf, Didar A. Ali

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The nullity η (G) of a graph is the occurrence of zero as an eigenvalue in its spectra. A zero-sum weighting of a graph G is real valued function, say f from vertices of G to the set of real numbers, provided that for each vertex of G the summation of the weights f (w) over all neighborhood w of v is zero for each v in G.A high zero-sum weighting of G is one that uses maximum number of non-zero independent variables. If G is graph with an end vertex, and if H is an induced sub-graph of G obtained by deleting this vertex together with the vertex adjacent to it, then, η(G)= η(H). In this paper, a high zero-sum weighting technique and the end vertex procedure are applied to evaluate the nullity of t-tupple and generalized t-tupple graphs are derived and determined for some special types of graphs. Also, we introduce and prove some important results about the t-tupple coalescence, Cartesian and Kronecker products of nut graphs.

Keywords: graph theory, graph spectra, nullity of graphs, statistic

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Authors: Khaled Bahgat

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In the present work, the characterization of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione (APTT) molecule was carried out by quantum chemical method and vibrational spectral techniques. The FT-IR (4000–400 cm_1) and FT-Raman (4000–100 cm_1) spectra of APTT were recorded in solid phase. The UV–Vis absorption spectrum of the APTT was recorded in the range of 200–400 nm. The molecular geometry, harmonic vibrational frequencies and bonding features of APTT in the ground state have been calculated by HF and DFT methods using 6-311++G(d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO) and natural localized molecular orbital (NLMO) analysis. The electronic properties, such as excitation energies, absorption wavelength, HOMO and LUMO energies were performed by time depended DFT (TD-DFT) approach. The 1H and 13C nuclear magnetic resonance chemical shift of the molecule were calculated using the gauge-including atomic orbital (GIAO) method and compared with experimental results. Finally, the calculation results were analyzed to simulate infrared, FT-Raman and UV spectra of the title compound which shows better agreement with observed spectra.

Keywords: 4-amino-3-phenyl-1H-1, 2, 4-triazole-5(4H)-thione, vibrational assignments, normal coordinate analysis, quantum mechanical calculations

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Authors: Maryam Solgi, Behzad Shahmohammadi, Morteza Raissi Dehkordi

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One of the main steps for seismic retrofitting of buildings is to determine the vulnerability of structures. While current procedures for evaluating existing buildings are complicated, and there is no limitation between short, middle-high, and tall buildings. This research utilizes a simplified method for assessing structures, which is adequate for existing reinforced concrete buildings. To approach this aim, Simple Lateral Mechanisms Analysis (SLaMA) procedure proposed by NZSEE (New Zealand Society for Earthquake Engineering) has been carried out. In this study, three RC moment-resisting frame buildings are determined. First, these buildings have been evaluated by inelastic static procedure (Pushover) based on acceptance criteria. Then, Park-Ang Damage Index is determined for the whole members of each building by Inelastic Time History Analysis. Next, the Simple Lateral Mechanisms Analysis procedure, a hand method, is carried out to define the capacity of structures. Ultimately, existing procedures are compared with Peak Ground Acceleration caused to fail (PGAfail). The results of this comparison emphasize that the Pushover procedure and SLaMA method define a greater value of PGAfail than the Park-Ang Damage model.

Keywords: peak ground acceleration caused to fail, reinforced concrete moment-frame buildings, seismic vulnerability analysis, simple lateral mechanisms analysis

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Authors: S. H. Allehyani, H. S. Ibrahim, F. M. Ali, E. Sayd, T. Abou Aiad

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The present study aimed to analyse the radiation risk associated with the exposure of haemoglobin (Hb) of rat red blood cells (rbcs) exposed to a 50-Hz 6-kV/m electric field, a fast neutron dose of 1 mSv, and mixed radiation from fast neutrons and an electric field distributed over a period of three weeks at a rate of 5 days/week and 8 hours/day. The dielectric measurements and the absorption spectra for the haemoglobin molecule in the frequency range of 1 kHz to 5 MHz were measured for all of the samples. The dielectric relaxation results demonstrated an increase in the dielectric increment (∆ε) for the rbcs from all of the irradiated animals, which indicates an increase in the electric dipole. Moreover, the results revealed a decrease in the relaxation time (τ) and the molecular radius (r) of the irradiated molecules, which indicates that the increase in ∆ε is mainly due to a pronounced increase in the centre of mass of the charge on the electric dipole of the Hb molecule. The results from the absorption spectra indicate that the ratio of met-haemoglobin to oxy-haemoglobin is altered by irradiation. Moreover, the results from the delayed effect studies show that the structure and function of the newly generated Hb molecules are altered and dissimilar to that of healthy Hb.

Keywords: rat red blood cell haemoglobin, dielectric properties, absorption spectra, biochemical analysis

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Authors: Madhuresh Dwivedi, Navneet Singh Deora, Aastha Deswal, H. N. Mishra

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FT-NIR spectroscopy and electronic nose was used to study the kinetics of dough proofing. Spectroscopy was conducted with an optic probe in the diffuse reflectance mode. The dough leavening was carried out at different temperatures (25 and 35°C) and constant RH (80%). Spectra were collected in the range of wave numbers from 12,000 to 4,000 cm-1 directly on the samples, every 5 min during proofing, up to 2 hours. NIR spectra were corrected for scatter effect and second order derivatization was done to transform the spectra. Principal component analysis (PCA) was applied for the leavening process and process kinetics was calculated. PCA was performed on data set and loadings were calculated. For leavening, four absorption zones (8,950-8,850, 7,200-6,800, 5,250-5,150 and 4,700-4,250 cm-1) were involved in describing the process. Simultaneously electronic nose was also used for understanding the development of odour compounds during fermentation. The electronic nose was able to differential the sample on the basis of aroma generation at different time during fermentation. In order to rapidly differentiate samples based on odor, a Principal component analysis is performed and successfully demonstrated in this study. The result suggests that electronic nose and FT-NIR spectroscopy can be utilized for the online quality control of the fermentation process during leavening of bread dough.

Keywords: FT-NIR, dough, e-nose, proofing, principal component analysis

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Authors: Bitewulign Mekonnen

Abstract:

Context: This scientific paper focuses on the use of near-infrared (NIR) spectroscopy to determine glucose concentration in aqueous solutions accurately and rapidly. The study compares six different machine learning methods for predicting glucose concentration and also explores the development of a deep learning model for classifying NIR spectra. The objective is to optimize the detection model and improve the accuracy of glucose prediction. This research is important because it provides a comprehensive analysis of various machine-learning techniques for estimating aqueous glucose concentrations. Research Aim: The aim of this study is to compare and evaluate different machine-learning methods for predicting glucose concentration from NIR spectra. Additionally, the study aims to develop and assess a deep-learning model for classifying NIR spectra. Methodology: The research methodology involves the use of machine learning and deep learning techniques. Six machine learning regression models, including support vector machine regression, partial least squares regression, extra tree regression, random forest regression, extreme gradient boosting, and principal component analysis-neural network, are employed to predict glucose concentration. The NIR spectra data is randomly divided into train and test sets, and the process is repeated ten times to increase generalization ability. In addition, a convolutional neural network is developed for classifying NIR spectra. Findings: The study reveals that the SVMR, ETR, and PCA-NN models exhibit excellent performance in predicting glucose concentration, with correlation coefficients (R) > 0.99 and determination coefficients (R²)> 0.985. The deep learning model achieves high macro-averaging scores for precision, recall, and F1-measure. These findings demonstrate the effectiveness of machine learning and deep learning methods in optimizing the detection model and improving glucose prediction accuracy. Theoretical Importance: This research contributes to the field by providing a comprehensive analysis of various machine-learning techniques for estimating glucose concentrations from NIR spectra. It also explores the use of deep learning for the classification of indistinguishable NIR spectra. The findings highlight the potential of machine learning and deep learning in enhancing the prediction accuracy of glucose-relevant features. Data Collection and Analysis Procedures: The NIR spectra and corresponding references for glucose concentration are measured in increments of 20 mg/dl. The data is randomly divided into train and test sets, and the models are evaluated using regression analysis and classification metrics. The performance of each model is assessed based on correlation coefficients, determination coefficients, precision, recall, and F1-measure. Question Addressed: The study addresses the question of whether machine learning and deep learning methods can optimize the detection model and improve the accuracy of glucose prediction from NIR spectra. Conclusion: The research demonstrates that machine learning and deep learning methods can effectively predict glucose concentration from NIR spectra. The SVMR, ETR, and PCA-NN models exhibit superior performance, while the deep learning model achieves high classification scores. These findings suggest that machine learning and deep learning techniques can be used to improve the prediction accuracy of glucose-relevant features. Further research is needed to explore their clinical utility in analyzing complex matrices, such as blood glucose levels.

Keywords: machine learning, signal processing, near-infrared spectroscopy, support vector machine, neural network

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Authors: Gonzalez Carlos, Martinez Fransisco

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There are various types of analysis that allow us to involve seismic phenomena that cause strong requirements for structures that are designed by society; one of them is a probabilistic analysis which works from prediction equations that have been created based on metadata seismic compiled in different regions. These equations form models that are used to describe the 5% damped pseudo spectra response for the various zones considering some easily known input parameters. The biggest problem for the creation of these models requires data with great robust statistics that support the results, and there are several places where this type of information is not available, for which the use of alternative methodologies helps to achieve adjustments to different models of seismic prediction.

Keywords: GMPM, 5% damped pseudo-response spectra, models of seismic prediction, PSHA

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Authors: Z. Ž. Lazarević, Č. Jovalekić, V. N. Ivanovski, N. Ž. Romčević

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Nickel-zinc ferrite, Ni0.5Zn0.5Fe2O4 was prepared by mechanochemical route in a planetary ball mill starting from mixture of the appropriate quantities of the Ni(OH)2, Zn(OH)2 and Fe(OH)3 hydroxide powders. In order to monitor the progress of chemical reaction and confirm phase formation, powder samples obtained after 5 h and 10 h of milling were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), IR, Raman and Mössbauer spectroscopy. It is shown that the soft mechanochemical method, i.e. mechanochemical activation of hydroxides, produces high quality single phase Ni0.5Zn0.5Fe2O4 samples in much more efficient way. From the IR spectroscopy of single phase samples it is obvious that energy of modes depends on the ratio of cations. It is obvious that all samples have more than 5 Raman active modes predicted by group theory in the normal spinel structure. Deconvolution of measured spectra allows one to conclude that all complex bands in the spectra are made of individual peaks with the intensities that vary from spectrum to spectrum. The deconvolution of Raman spectra alows to separate contributions of different cations to a particular type of vibration and to estimate the degree of inversion.

Keywords: ferrite, X-ray diffraction, infrared spectroscopy, Raman spectroscopy, Mössbauer spectroscopy

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Authors: Mingmei Zhang, Xinyong Li

Abstract:

AgInS₂/SnS₂ (AIS) nanocomposites were synthesized by a simple hydrothermal method. The morphology and composition of the fabricated AIS nanocomposites were investigated by field-emission scanning electron microscopy (SEM), X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM) and X-ray photoelectron spectroscopy (XPS). Moreover, the as-prepared AIS photocatalysts exhibited excellent photocatalytic activities for the degradation of Norfloxacin (NOR), mainly due to its high optical absorption and separation efficiency of photogenerated electron-hole pairs, as evidenced by UV–vis diffusion reflection spectra (DRS) and Surface photovoltage (SPV) spectra. Furthermore, the interfacial charges transfer mechanism was also discussed by DFT calculations.

Keywords: AIS nanocomposites, electron-hole pairs, charges transfer, DFTcaculations

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Authors: May Fadheel Estephan, Richard Perks

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Context: Cancer is a serious health concern that affects millions of people worldwide. Early detection and treatment are essential for improving patient outcomes. However, current methods for cancer detection have limitations, such as low sensitivity and specificity. Research Aim: The aim of this study was to develop an optical sensor for cancer detection using elastic light scattering spectroscopy (ELSS). ELSS is a noninvasive optical technique that can be used to characterize the size and concentration of particles in a solution. Methodology: An optical probe was fabricated with a 100-μm-diameter core and a 132-μm centre-to-centre separation. The probe was used to measure the ELSS spectra of polystyrene spheres with diameters of 2, 0.8, and 0.413 μm. The spectra were then analysed to determine the size and concentration of the spheres. Findings: The results showed that the optical probe was able to differentiate between the three different sizes of polystyrene spheres. The probe was also able to detect the presence of polystyrene spheres in suspension concentrations as low as 0.01%. Theoretical Importance: The results of this study demonstrate the potential of ELSS for cancer detection. ELSS is a noninvasive technique that can be used to characterize the size and concentration of cells in a tissue sample. This information can be used to identify cancer cells and assess the stage of the disease. Data Collection: The data for this study were collected by measuring the ELSS spectra of polystyrene spheres with different diameters. The spectra were collected using a spectrometer and a computer. Analysis Procedures: The ELSS spectra were analysed using a software program to determine the size and concentration of the spheres. The software program used a mathematical algorithm to fit the spectra to a theoretical model. Question Addressed: The question addressed by this study was whether ELSS could be used to detect cancer cells. The results of the study showed that ELSS could be used to differentiate between different sizes of cells, suggesting that it could be used to detect cancer cells. Conclusion: The findings of this research show the utility of ELSS in the early identification of cancer. ELSS is a noninvasive method for characterizing the number and size of cells in a tissue sample. To determine cancer cells and determine the disease's stage, this information can be employed. Further research is needed to evaluate the clinical performance of ELSS for cancer detection.

Keywords: elastic light scattering spectroscopy, polystyrene spheres in suspension, optical probe, fibre optics

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