Search results for: excited singlet state dipole moment

Authors: Mohamed M. M. Elnasharty, Azhar M. Elwan

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Irradiation deposits energy through ionisation changing the bio-system’s net dipole, allowing the use of dielectric parameters and thermodynamic state functions related to these parameters as biophysical detectors to electrical inhomogeneity within the biosystem. This part is concerned with the effect of Moringa leaves extract, natural supplement, on the response of the biosystem to two different dose rates of irradiation. Having Hb molecule as a representative to the biosystem to be least invasive to the biosystem, dielectric measurements were used to extract the relaxation time of certain process found in the Hb spectrum within the indicated frequency window and the interrelated thermodynamic state functions were calculated from the deduced relaxation time. The results showed that relaxation time was decreased for both dose rates indicating a strong influence of Moringa on the response of biosystem and consequently Hb molecule. This influence was presented in the relaxation time and other parameters as well.

Keywords: activation energy, DC conductivity, dielectric relaxation, enthalpy change, Moringa leaves extract, relaxation time

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Authors: Jyoti Bharti, Navneet Manjhi, M. K.Gupta, Bimi Jain

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A reliable gait features are required to extract the gait sequences from an images. In this paper suggested a simple method for gait identification which is based on moments. Moment values are extracted on different number of frames of gray scale and silhouette images of CASIA database. These moment values are considered as feature values. Fuzzy logic and nearest neighbour classifier are used for classification. Both achieved higher recognition.

Keywords: gait, fuzzy logic, nearest neighbour, recognition rate, moments

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Authors: M. R. S. Nasuha, K. Azman, H. Azhan, S. A. Senawi, A. Mardhiah

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Studies on Samarium doped glasses possess lot of interest due to their potential applications for high-density optical memory, optical communication device, the design of laser and color display etc. Sm3+ doped borotellurite glasses of the system (70-x) TeO2-20B2O3-10ZnO-xSm2O3 (where x = 0.0, 0.5, 1.0, 1.5, 2.0 and 2.5 mol%) have been prepared using melt-quenching method. Their physical properties such as density, molar volume and oxygen packing density as well as the optical measurements by mean of their absorption and emission characteristic have been carried out at room temperature using UV/VIS and photoluminescence spectrophotometer. The results of physical properties are found to vary with respect to Sm3+ ions content. Meanwhile, three strong absorption peaks are observed and are well resolved in the ultra violet and visible regions due to transitions between the ground state and various excited state of Sm3+ ions. Thus, the photoluminescence spectra exhibit four emission bands from the initial state, which correspond to the 4G5/2 → 6H5/2, 4G5/2 → 6H7/2, 4G5/2 → 6H9/2 and 4G5/2 → 6H11/2 fluorescence transitions at 562 nm, 599 nm, 645 nm and 706 nm respectively.

Keywords: absorption, borotellurite, down-conversion, emission

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Authors: Ailing Yang, Penghan Song, Aihua Cai

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The nonlinear maneuvering target tracking problem is mainly a state estimation problem when the target motion model is uncertain. Traditional solutions include Kalman filtering based on Bayesian filtering framework and extended Kalman filtering. However, these methods need prior knowledge such as kinematics model and state system distribution, and their performance is poor in state estimation of nonprior complex dynamic systems. Therefore, in view of the problems existing in traditional algorithms, a convolution LSTM target state estimation (SAConvLSTM-SE) algorithm based on Self-Attention memory (SAM) is proposed to learn the historical motion state of the target and the error distribution information measured at the current time. The measured track point data of airborne radar are processed into data sets. After supervised training, the data-driven deep neural network based on SAConvLSTM can directly obtain the target state at the next moment. Through experiments on two different maneuvering targets, we find that the network has stronger robustness and better tracking accuracy than the existing tracking methods.

Keywords: maneuvering target, state estimation, Kalman filter, LSTM, self-attention

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Authors: Sergei P. Efimov

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The anomalous magnetic moment of the electron is calculated by introducing the effective mass of the virtual part of the electron structure. In this case, the anomalous moment is inversely proportional to the effective mass Meff, which is shown to be a linear combination of the neutron, proton, and electrostatic electron field masses. The spin of a rotating structure is assumed to be equal to 3/2, while the spin of a 'bare' electron is equal to unity, the resultant spin being 1/2. A simple analysis gives the coefficients for a linear combination of proton and electron masses, the approximation precision giving here nine significant digits after the decimal point. The summand proportional to α² adds four more digits. Thus, the conception of the effective mass Meff leads to the formula for the total magnetic moment of the electron, which is accurate to fourteen digits. Association with the virtual beta-decay reaction and possible reasons for simplicity of the derived formula are discussed.

Keywords: anomalous magnetic moment of electron, comparison with quantum electrodynamics. effective mass, fifteen significant figures, proton and neutron masses

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Authors: Ömer Tamer, Davut Avcı, Yusuf Atalay

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Novel picolinate complex of manganese(II) ion, [Mn(pic)2] [pic: picolinate or 2-pyridinecarboxylate], was prepared and fully characterized by single crystal X-ray structure determination. The manganese(II) complex was characterized by FT-IR, FT-Raman and UV–Vis spectroscopic techniques. The C=O, C=N and C=C stretching vibrations were found to be strong and simultaneously active in IR and spectra. In order to support these experimental techniques, density functional theory (DFT) calculations were performed at Gaussian 09W. Although the supramolecular interactions have some influences on the molecular geometry in solid state phase, the calculated data show that the predicted geometries can reproduce the structural parameters. The molecular modeling and calculations of IR, Raman and UV-vis spectra were performed by using DFT levels. Nonlinear optical (NLO) properties of synthesized complex were evaluated by the determining of dipole moment (µ), polarizability (α) and hyperpolarizability (β). Obtained results demonstrated that the manganese(II) complex is a good candidate for NLO material. Stability of the molecule arising from hyperconjugative interactions and charge delocalization was analyzed using natural bond orbital (NBO) analysis. The highest occupied and the lowest unoccupied molecular orbitals (HOMO and LUMO) which is also known the frontier molecular orbitals were simulated, and obtained energy gap confirmed that charge transfer occurs within manganese(II) complex. Molecular electrostatic potential (MEP) for synthesized manganese(II) complex displays the electrophilic and nucleophilic regions. From MEP, the the most negative region is located over carboxyl O atoms while positive region is located over H atoms.

Keywords: DFT, picolinate, IR, Raman, nonlinear optic

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Authors: Saeeda Nadir Ali, Najma Sultana, Muhammad Saeed Arayne

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Charge transfer complexes of omeprazole with bromothymol blue, methyl orange, and picric acid in the Beer’s law ranges 7-56, 6-48, and 10-80 µg mL-1, exhibiting stoichiometric ratio 1:1, and maximum wavelength 400, 420 and 373 nm respectively have been studied in aqueous medium. ICH guidelines were followed for validation study. Spectroscopic parameters including oscillator’s strength, dipole moment, ionization potential, energy of complexes, resonance energy, association constant and Gibb’s free energy changes have also been investigated and Benesi-Hildebrand plot in each case has been obtained. In addition, the methods were fruitfully employed for omeprazole determination in pharmaceutical formulations with no excipients obstruction during analysis. Solid omeprazole complexes with all the acceptors were synthesized and then structure was elucidated by IR and 1H NMR spectroscopy.

Keywords: omeprazole, bromothymol blue, methyl orange and picric acid, charge transfer complexes

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Authors: Khaled Alshammari

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Ciprofloxacin (CIP) is a common antibiotic drug used as a strudy electron donor that interacts with dynamic π -acceptors such as 2,3-dinitrosalsylic acid (HDNS) and Tetracyanoethylene (TCNE) for synthesizing a new model of charge transfer (CT) complexes. The synthesized complexes were identified using diverse analytical methods such as UV–vis spectra, photometric titration measurements, FT-IR, HNMR Spectroscopy, and thermogravimetric analysis techniques (TGA/DTA). The stoichiometries for all the formed complexes were found to be a 1:1 M ratio between the reactants. The characteristic spectroscopic properties such as transition dipole moment (µ), oscillator strength (f), formation constant (KCT), ionization potential (ID), standard free energy (∆G), and energy of interaction (ECT) for the CT-complexes were collected. The developed CT complexes were tested for their toxicity on main organs, antimicrobial activity, antioxidant activity, and biofilm formation.

Keywords: biological, biofilm, toxicity, thermal analysis, charge transfer, spectroscopy

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Authors: Amit Kumar, Archana Gupta, Poonam Tandon, E. D. D’Silva

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Nonlinear optical (NLO) materials are the key materials for the fast processing of information and optical data storage applications. In the last decade, materials showing nonlinear optical properties have been the object of increasing attention by both experimental and computational points of view. Chalcones are one of the most important classes of cross conjugated NLO chromophores that are reported to exhibit good SHG efficiency, ultra fast optical nonlinearities and are easily crystallizable. The basic structure of chalcones is based on the π-conjugated system in which two aromatic rings are connected by a three-carbon α, β-unsaturated carbonyl system. Due to the overlap of π orbitals, delocalization of electronic charge distribution leads to a high mobility of the electron density. On a molecular scale, the extent of charge transfer across the NLO chromophore determines the level of SHG output. Hence, the functionalization of both ends of the π-bond system with appropriate electron donor and acceptor groups can enhance the asymmetric electronic distribution in either or both ground and excited states, leading to an increased optical nonlinearity. In this research, the experimental and theoretical study on the structure and vibrations of (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one (3Br4MSP) is presented. The FT-IR and FT-Raman spectra of the NLO material in the solid phase have been recorded. Density functional theory (DFT) calculations at B3LYP with 6-311++G(d,p) basis set were carried out to study the equilibrium geometry, vibrational wavenumbers, infrared absorbance and Raman scattering activities. The interpretation of vibrational features (normal mode assignments, for instance) has an invaluable aid from DFT calculations that provide a quantum-mechanical description of the electronic energies and forces involved. Perturbation theory allows one to obtain the vibrational normal modes by estimating the derivatives of the Kohn−Sham energy with respect to atomic displacements. The molecular hyperpolarizability β plays a chief role in the NLO properties, and a systematical study on β has been carried out. Furthermore, the first order hyperpolarizability (β) and the related properties such as dipole moment (μ) and polarizability (α) of the title molecule are evaluated by Finite Field (FF) approach. The electronic α and β of the studied molecule are 41.907×10-24 and 79.035×10-24 e.s.u. respectively, indicating that 3Br4MSP can be used as a good nonlinear optical material.

Keywords: DFT, MEP, NLO, vibrational spectra

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Authors: Vigen Arakelian

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The balancing of mechanisms is a well-known problem in the field of mechanical engineering because the variable dynamic loads cause vibrations, as well as noise, wear and fatigue of the machines. A mechanical system with unbalance shaking force and shaking moment transmits substantial vibration to the frame. Therefore, the objective of the balancing is to cancel or reduce the variable dynamic reactions transmitted to the frame. The resolution of this problem consists in the balancing of the shaking force and shaking moment. It can be fully or partially, by internal mass redistribution via adding counterweights or by modification of the mechanism's architecture via adding auxiliary structures. The balancing problems are of continue interest to researchers. Several laboratories around the world are very active in this area and new results are published regularly. However, despite its ancient history, mechanism balancing theory continues to be developed and new approaches and solutions are constantly being reported. Various surveys have been published that disclose particularities of balancing methods. The author believes that this is an appropriate moment to present a state of the art of the shaking force balancing studies completed by new research results. This paper presents an overview of methods devoted to the shaking force balancing of mechanisms, as well as the historical aspects of the origins and the evolution of the balancing theory of mechanisms.

Keywords: inertial forces, shaking forces, balancing, dynamics, mechanism design

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Authors: Vidula Shevade, B. J. Nagare, Sajeev Chacko

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First principles simulation, meaning density functional theory (DFT) calculations with plane waves and pseudopotential, has become a prized technique in condensed matter theory. Nanoparticles (NP) have been known to possess good catalytic activities, especially for molecules such as CO, O₂, etc. Among the metal NPs, Aluminium based NPs are also widely known for their catalytic properties. Aluminium metal is a lightweight, excellent electrical, and thermal abundant chemical element in the earth’s crust. Aluminium NPs, when added to solid rocket fuel, help improve the combustion speed and considerably increase combustion heat and combustion stability. Adding aluminium NPs into normal Al/Al₂O₃ powder improves the sintering processes of the ceramics, with high heat transfer performance, increased density, and enhanced thermal conductivity of the sinter. We used VASP and Gaussian 0₃ package to compute the geometries, electronic structure, and bonding properties of Al₁₂Ni as well as its interaction with O₂ and CO molecules. Several MD simulations were carried out using VASP at various temperatures from which hundreds of structures were optimized, leading to 24 unique structures. These structures were then further optimized through a Gaussian package. The lowest energy structure of Al₁₂Ni has been reported to be a singlet. However, through our extensive search, we found a triplet state to be lower in energy. In our structure, the Ni atom is found to be on the surface, which gives the non-zero magnetic moment. Incidentally, O2 and CO molecules are also triplet in nature, due to which the Al₁₂-Ni cluster is likely to facilitate the oxidation process of the CO molecule. Our results show that the most favourable site for the CO molecule is the Ni atom and that for the O₂ molecule is the Al atom that is nearest to the Ni atom. Al₁₂Ni-O₂ and Al₁₂-Ni-CO structures we extracted using VMD. Al₁₂Ni nanocluster, due to in triplet electronic structure configuration, indicates it to be a potential candidate as a catalyst for oxidation of CO molecules.

Keywords: catalyst, gaussian, nanoparticles, oxidation

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Authors: Nisha Deopa, A. S. Rao

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Lithium Lead Alumino Borate (LiPbAlB) glasses doped with different Dy3+ ions concentration were synthesized to investigate their viability in solid state lighting (SSL) technology by melt quenching techniques. From the absorption spectra, bonding parameters (ð) were investigated to study the nature of bonding between Dy3+ ions and its surrounding ligands. Judd-Ofelt (J-O) intensity parameters (Ω = 2, 4, 6), estimated from the experimental oscillator strengths (fex) of the absorption spectral features were used to evaluate the radiative parameters of different transition levels. From the decay curves, experimental lifetime (τex) were measured and coupled with the radiative lifetime to evaluate the quantum efficiency of the as-prepared glasses. As Dy3+ ions concentration increases, decay profile changes from exponential to non-exponential through energy transfer mechanism (ETM) in turn decreasing experimental lifetime. In order to investigate the nature of ETM, non-exponential decay curves were fitted to Inkuti–Hirayama (I-H) model which further confirms dipole-dipole interaction. Among all the emission transition, 4F9/2  6H15/2 transition (483 nm) is best suitable for lasing potentialities. By exciting titled glasses in n-UV to blue regions, CIE chromaticity coordinates and Correlated Color Temperature (CCT) were calculated to understand their capability in cool white light generation. From the evaluated radiative parameters, CIE co-ordinates, quantum efficiency and confocal images it was observed that glass B (0.5 mol%) is a potential candidate for developing w-LEDs and lasers.

Keywords: energy transfer, glasses, J-O parameters, photoluminescence

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Authors: Shahin A. Abdel-Naby, Asad T. Hassan

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Electron-ion recombination data are needed for plasma modeling. The recombination processes include radiative recombination (RR), dielectronic recombination (DR), and trielectronic recombination (TR). When a free electron is captured by an ion with simultaneous excitation of its core, a doubly-exited intermediate state may be formed. The doubly excited state relaxes either by electron emission (autoionization) or by radiative decay (photon emission). DR process takes place when the relaxation occurs to a bound state by photon emission. Reliable laboratory astrophysics data (theory and experiment) for DR rate coefficients are needed to determine the charge state distribution in photoionized sources such as X-ray binaries and active galactic nuclei. DR rate coefficients for NIII and OIV ions are calculated using state-of-the-art multi-configuration Breit-Pauli atomic structure AUTOSTRUCTURE collisional package within the generalized collisional-radiative framework. Level-resolved calculations for RR and DR rate coefficients from the ground and metastable initial states are produced in an intermediate coupling scheme associated with Δn = 0 (2→2) and Δn = 1 (2 →3) core-excitations. DR cross sections for these ions are convoluted with the experimental electron-cooler temperatures to produce DR rate coefficients. Good agreements are found between these rate coefficients and the experimental measurements performed at the CRYRING heavy-ion storage ring for both ions.

Keywords: atomic data, atomic process, electron-ion collision, plasmas

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Authors: Laggoun Chouki

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In this paper we present the design and mechanisms of the physics process and discuss the performances of continuous gas laser dynamics, based on molecules N2(v=1)→C02(001)(v=3). The main objectives of work in this area are, obtaining the high laser energies in short time durations needed for the feasibility studies the physical principles that can be used to make laser sources capable of delivering high average powers. We note that, in order to reach both objectives, one has to convert electrical or chemical energy into laser energy, using gaseous media. The process generating the wave excited, on the basis of the excited level vibration, Theoretical predictions are compared with experimental results. The feasibility and effectiveness of the proposed method is demonstrated by computer simulation.

Keywords: modelling, lasers, gas, numerical, nozzle

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Authors: Omar M. Ben-Sasi

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Ductility of slab-column connections of flat slab structures is a desirable property that should be considered when designing such connections which are susceptible to punching failure around their columns. Tests to failure on six half-scale specimens were conducted for slab-interior column connections transferring shear force and unbalanced moment. The influences on connection ductility of four parameters; namely, the moment to shear force ratio, the ratio of column side length to slab effective depth, the aspect ratio of the column cross section, and the presence of four square openings located next to column corners were investigated. The study revealed marked effects of these parameters on connection ductility. Increasing the first and second parameters, were found to be in favor of increasing connection ductility, while the third and fourth parameters were found to have negative effects on the connection ductility. These findings should, hopefully, help in designing interior connections of flat slab structures.

Keywords: ductility, flat slab, failure, shear force, moment, unbalanced moment, punching failure, connection, interior-column connection

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Authors: Saemee Jun, Dong-Hyeon Shin, Tae-Sang Ahn, Hyung-Joon Kim

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Building loss estimation methodologies which have been advanced considerably in recent decades are usually used to estimate socio and economic impacts resulting from seismic structural damage. In accordance with these methods, this paper presents the evaluation of an annual loss probability of a reinforced concrete moment resisting frame designed according to Korean Building Code. The annual loss probability is defined by (1) a fragility curve obtained from a capacity spectrum method which is similar to a method adopted from HAZUS, and (2) a seismic hazard curve derived from annual frequencies of exceedance per peak ground acceleration. Seismic fragilities are computed to calculate the annual loss probability of a certain structure using functions depending on structural capacity, seismic demand, structural response and the probability of exceeding damage state thresholds. This study carried out a nonlinear static analysis to obtain the capacity of a RC moment resisting frame selected as a prototype building. The analysis results show that the probability of being extensive structural damage in the prototype building is expected to 0.004% in a year.

Keywords: expected annual loss, loss estimation, RC structure, fragility analysis

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Authors: Drissi Mokhtaria, Chouaih Abdelkader, Fodil Hamzaoui

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Our work is about a comparison of experimental and theoretical results of the electron charge density distribution and the electrostatic potential around the M-Nitrophenol Molecule (m-NPH) kwon for its interesting physical characteristics. The molecular experimental results have been obtained from a high-resolution X-ray diffraction study. Theoretical investigations were performed under the Gaussian program using the Density Functional Theory at B3LYP level of theory at 6-31G*. The multipolar model of Hansen and Coppens was used for the experimental electron charge density distribution around the molecule, while we used the DFT methods for the theoretical calculations. The electron charge density obtained in both methods allowed us to find out the different molecular properties such us the electrostatic potential and the dipole moment which were finally subject to a comparison leading to an outcome of a good matching results obtained in both methods.

Keywords: electron charge density, m-nitrophenol, nonlinear optical compound, electrostatic potential, optimized geometric

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Authors: Ali Adamu

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Teachers’ background characteristics as a correlate of students’ achievement in Mathematics were studied in Gombe State. Pearson Product Moment Correlation Coefficient was used for the analysis. Five Hundred and Twelve (512) students and 20 teachers from 12 schools in Gombe State of Nigeria were used for the study. Students’ Achievement Tests and Mathematics Teachers’ backgrounds were instruments for the study. The findings indicated that teachers’ qualifications, experience of the teacher, and teachers’ personalities had a positive correlation with students’ achievement. Recommendations are made, which include allowing the teachers to go for training as well as the government should ensure recruiting teachers that have experience in the teaching job.

Keywords: achievement-test, teachers’ personality, teaching mathematics, teacher-background

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Authors: David Edgar

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To understand how the brain’s subconscious and conscious functions, we must conquer the physics of Unity, which leads to duality’s algorithm. Where the subconscious (bottom-up) and conscious (top-down) processes function together to produce and consume intelligence, we use terms like ‘time is relative,’ but we really do understand the meaning. In the brain, there are different processes and, therefore, different observers. These different processes experience time at different rates. A sensory system such as the eyes cycles measurement around 33 milliseconds, the conscious process of the frontal lobe cycles at 300 milliseconds, and the subconscious process of the thalamus cycle at 5 milliseconds. Three different observers experience time differently. To bridge observers, the thalamus, which is the fastest of the processes, maintains a synchronous state and entangles the different components of the brain’s physical process. The entanglements form a synchronous cohesion between the brain components allowing them to share the same state and execute in the same measurement cycle. The thalamus uses the shared state to control the firing sequence of the brain’s linear subconscious process. Sharing state also allows the brain to cheat on the amount of sensory data that must be exchanged between components. Only unpredictable motion is transferred through the synchronous state because predictable motion already exists in the shared framework. The brain’s synchronous subconscious process is entirely based on energy conservation, where prediction regulates energy usage. So, the eyes every 33 milliseconds dump their sensory data into the thalamus every day. The thalamus is going to perform a motion measurement to identify the unpredictable motion in the sensory data. Here is the trick. The thalamus conducts its measurement based on the original observation time of the sensory system (33 ms), not its own process time (5 ms). This creates a data payload of synchronous motion that preserves the original sensory observation. Basically, a frozen moment in time (Flat 4D). The single moment in time can then be processed through the single state maintained by the synchronous process. Other processes, such as consciousness (300 ms), can interface with the synchronous state to generate awareness of that moment. Now, synchronous data traveling through a separate faster synchronous process creates a theoretical time tunnel where observation time is tunneled through the synchronous process and is reproduced on the other side in the original time-relativity. The synchronous process eliminates time dilation by simply removing itself from the equation so that its own process time does not alter the experience. To the original observer, the measurement appears to be instantaneous, but in the thalamus, a linear subconscious process generating sensory perception and thought production is being executed. It is all just occurring in the time available because other observation times are slower than thalamic measurement time. For life to exist in the physical universe requires a linear measurement process, it just hides by operating at a faster time relativity. What’s interesting is time dilation is not the problem; it’s the solution. Einstein said there was no universal time.

Keywords: neural synchronization, natural intelligence, 99.95% IoT data transmission savings, artificial subconscious intelligence (ASI)

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Authors: Krolo Paulina

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The seismic response of moment-resisting steel frames depends on the behavior of the joints, especially when they are considered as ductile zones. The aim of this research is to provide a realistic assessment of the moment-resisting steel frame behavior under seismic loading using nonlinear static pushover analysis (N2 method). The hysteresis behavior of the joints in the frame model was described using a new hysteresis envelope model. The obtained seismic response was compared with the results of the seismic analysis obtained for the same steel frame that takes into account the monotonic model of the joints.

Keywords: beam-to-column joints, hysteresis envelope model, moment-resisting frame, nonlinear static pushover analysis, N2 method

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Authors: Fan Yang, Ye-Lu Wang, Yang Zhao

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The dynamic load allowance, as an application result of the vehicle-bridge coupled vibration theory, is an important parameter for bridge design and evaluation. Based on the coupled vehicle-bridge vibration theory, the current work establishes a full girder model of a dynamic load allowance, selects a planar five-degree-of-freedom three-axis vehicle model, solves the coupled vehicle-bridge dynamic response using the APDL language in the spatial finite element program ANSYS, selects the pivot point 2 sections as the representative of the negative moment section, and analyzes the effects of parameters such as travel speed, unevenness, vehicle frequency, span diameter, span number and forced displacement of the support on the negative moment dynamic load allowance through orthogonal tests. The influence of parameters such as vehicle speed, unevenness, vehicle frequency, span diameter, span number, and forced displacement of the support on the negative moment dynamic load allowance is analyzed by orthogonal tests, and the influence law of each influencing parameter is summarized. It is found that the effects of vehicle frequency, unevenness, and speed on the negative moment dynamic load allowance are significant, among which vehicle frequency has the greatest effect on the negative moment dynamic load allowance; the effects of span number and span diameter on the negative moment dynamic load allowance are relatively small; the effects of forced displacement of the support on the negative moment dynamic load allowance are negligible.

Keywords: continuous T-girder bridge, dynamic load allowance, sensitivity analysis, vehicle-bridge coupling

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Authors: Robel Wondimu Alemayehu, Sihwa Jung, Manwoo Park, Young K. Ju

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Following the aftermath of the 1994 Northridge earthquake, intensive research on beam to column connections is conducted, leading to the current design basis. The current design codes require the use of either a prequalified connection or a connection that passes the requirements of large-scale cyclic qualification test prior to use in intermediate or special moment frames. The second alternative is expensive both in terms of money and time. On the other hand, the maximum beam depth in most of the prequalified connections is limited to 900mm due to the reduced rotation capacity of deeper beams. However, for long span beams the need to use deeper beams may arise. In this study, a beam to column connection detail suitable for deep beams is presented. The connection detail comprises of thicker-tapered beam flange adjacent to the beam to column connection. Within the thicker-tapered flange region, two reduced beam sections are provided with the objective of forming two plastic hinges within the tapered-thicker flange region. In addition, the length, width, and thickness of the tapered-thicker flange region are proportioned in such a way that a third plastic hinge forms at the end of the tapered-thicker flange region. As a result, the total rotation demand is distributed over three plastic zones. Making it suitable for deeper beams that have lower rotation capacity at one plastic hinge. The effectiveness of this connection detail is studied through finite element analysis. For the study, a beam that has a depth of 1200mm is used. Additionally, comparison with welded unreinforced flange-welded web (WUF-W) moment connection and reduced beam section moment connection is made. The results show that the rotation capacity of a WUF-W moment connection is increased from 2.0% to 2.2% by applying the proposed moment connection detail. Furthermore, the maximum moment capacity, energy dissipation capacity and stiffness of the WUF-W moment connection is increased up to 58%, 49%, and 32% respectively. In contrast, applying the reduced beam section detail to the same WUF-W moment connection reduced the rotation capacity from 2.0% to 1.50% plus the maximum moment capacity and stiffness of the connection is reduced by 22% and 6% respectively. The proposed connection develops three plastic hinge regions as intended and it shows improved performance compared to both WUF-W moment connection and reduced beam section moment connection. Moreover, the achieved rotation capacity satisfies the minimum required for use in intermediate moment frames.

Keywords: connections, finite element analysis, seismic design, steel intermediate moment frame

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Authors: S. Ali, R. Yunus, A. Arif, Y. Ayaz, M. Baber Sial, R. Asif, N. Naseer, M. Jawad Khan

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In this study, we have proposed a gesture to emotion recognition method using flex sensors mounted on metacarpophalangeal joints. The flex sensors are fixed in a wearable glove. The data from the glove are sent to PC using Wi-Fi. Four gestures: finger pointing, thumbs up, fist open and fist close are performed by five subjects. Each gesture is categorized into sad, happy, and excited class based on the velocity and acceleration of the hand gesture. Seventeen inspectors observed the emotions and hand gestures of the five subjects. The emotional state based on the investigators assessment and acquired movement speed data is compared. Overall, we achieved 77% accurate results. Therefore, the proposed design can be used for emotional state detection applications.

Keywords: emotion identification, emotion models, gesture recognition, user perception

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Authors: Lishuang Ma

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Charge transfer (CT) complex, also known as Electron donor-acceptor (EDA) complex, has received attentions increasingly in the field of synthetic chemistry community, due to the CT complex can absorb the visible light through the intermolecular charge transfer excited states, various of catalyst-free photochemical transformations under mild visible-light conditions. However, a number of fundamental questions are still ambiguous, such as the origin of visible light absorption, the photochemical and photophysical properties of the CT complex, as well as the detailed mechanism of the radical coupling pathways mediated by CT complex. Since these are critical factors for target-specific design and synthesis of more new-type CT complexes. To this end, theoretical investigations were performed in our group to answer these questions based on multiconfigurational perturbation theory. The photo-induced fluoroalkylation reactions are mediated by CT complexes, which are formed by the association of an acceptor of perfluoroalkyl halides RF−X (X = Br, I) and a suitable donor molecule such as β-naphtholate anion, were chosen as a paradigm example in this work. First, spectrum simulations were carried out by both CASPT2//CASSCF/PCM and TD-DFT/PCM methods. The computational results showed that the broadening spectra in visible light range (360-550nm) of the CT complexes originate from the 1(σπ*) excitation, accompanied by an intermolecular electron transfer, which was also found closely related to the aggregate states of the donor and acceptor. Moreover, from charge translocation analysis, the CT complex that showed larger charge transfer in the round state would exhibit smaller charge transfer in excited stated of 1(σπ*), causing blue shift relatively. Then, the excited-state potential energy surface (PES) was calculated at CASPT2//CASSCF(12,10)/ PCM level of theory to explore the photophysical properties of the CT complexes. The photo-induced C-X (X=I, Br) bond cleavage was found to occur in the triplet state, which is accessible through a fast intersystem crossing (ISC) process that is controlled by the strong spin-orbit coupling resulting from the heavy iodine and bromine atoms. Importantly, this rapid fragmentation process can compete and suppress the backward electron transfer (BET) event, facilitating the subsequent effective photochemical transformations. Finally, the reaction pathways of the radical coupling were also inspected, which showed that the radical chain propagation pathway could easy to accomplish with a small energy barrier no more than 3.0 kcal/mol, which is the key factor that promote the efficiency of the photochemical reactions induced by CT complexes. In conclusion, theoretical investigations were performed to explore the photophysical and photochemical properties of the CT complexes, as well as the mechanism of radical coupling reactions mediated by CT complex. The computational results and findings in this work can provide some critical insights into mechanism-based design for more new-type EDA complexes

Keywords: charge transfer complex, electron transfer, multiconfigurational perturbation theory, radical coupling

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Authors: Shahin A. Abdel-Naby, James P. Colgan, Michael S. Pindzola

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A time-dependent close-coupling method is developed to calculate a total, double and triple autoionization rates for hollow atomic ions of four-electron systems. This work was motivated by recent observations of the four-electron Auger process in near K-edge photoionization of C+ ions. The time-dependent close-coupled equations are solved using lattice techniques to obtain a discrete representation of radial wave functions and all operators on a four-dimensional grid with uniform spacing. Initial excited states are obtained by relaxation of the Schrodinger equation in imaginary time using a Schmidt orthogonalization method involving interior subshells. The radial wave function grids are partitioned over the cores on a massively parallel computer, which is essential due to the large memory requirements needed to store the coupled-wave functions and the long run times needed to reach the convergence of the ionization process. Total, double, and triple autoionization rates are obtained by the propagation of the time-dependent close-coupled equations in real-time using integration over bound and continuum single-particle states. These states are generated by matrix diagonalization of one-electron Hamiltonians. The total autoionization rates for each L excited state is found to be slightly above the single autoionization rate for the excited configuration using configuration-average distorted-wave theory. As expected, we find the double and triple autoionization rates to be much smaller than the total autoionization rates. Future work can be extended to study electron-impact triple ionization of atoms or ions. The work was supported in part by grants from the American University of Sharjah and the US Department of Energy. Computational work was carried out at the National Energy Research Scientific Computing Center (NERSC) in Berkeley, California, USA.

Keywords: hollow atoms, autoionization, auger rates, time-dependent close-coupling method

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Authors: Anila Xhahysa, Migena Ceyhan, Neki Kuka, Klajdi Qoshi, Damiano Koxhaj

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The seismic event catalog has been updated in the framework of a bilateral project supported by the Central European Investment Fund and with the extensive support of Global Earthquake Model Foundation to update Albania's national seismic hazard model. The earthquake catalogue prepared within this project covers the Western Balkan area limited by 38.0° - 48°N, 12.5° - 24.5°E and includes 41,806 earthquakes that occurred in the region between 510 BC and 2022. Since the moment magnitude characterizes the earthquake size accurately and the selected ground motion prediction equations for the seismic hazard assessment employ this scale, it was chosen as the uniform magnitude scale for the catalogue. Therefore, proxy values of moment magnitude had to be obtained by using new magnitude conversion equations between the local and other magnitude types to this unified scale. The Global Centroid Moment Tensor Catalogue was considered the most authoritative for moderate to large earthquakes for moment magnitude reports; hence it was used as a reference for calibrating other sources. The best fit was observed when compared to some regional agencies, whereas, with reports of moment magnitudes from Italy, Greece and Turkey, differences were observed in all magnitude ranges. For teleseismic magnitudes, to account for the non-linearity of the relationships, we used the exponential model for the derivation of the regression equations. The obtained regressions for the surface wave magnitude and short-period body-wave magnitude show considerable differences with Global Earthquake Model regression curves, especially for low magnitude ranges. Moreover, a conversion relation was obtained between the local magnitude of Albania and the corresponding moment magnitude as reported by the global and regional agencies. As errors were present in both variables, the Deming regression was used.

Keywords: regression, seismic catalogue, local magnitude, tele-seismic magnitude, moment magnitude

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Authors: Amin Eslami, Jafar Bolouri Bazaz

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Under active stress conditions, a rigid cantilever retaining wall tends to rotate about a pivot point located within the embedded depth of the wall. For purely granular and cohesive soils, a methodology was previously reported called minimization of moment ratio to determine the location of the pivot point of rotation. The usage of this new methodology is to estimate the rotational stability safety factor. Moreover, the degree of improvement required in a backfill to get a desired safety factor can be estimated by the concept of the shear strength demand. In this article, the accuracy of this method for another type of cantilever walls called Contiguous Bored Pile (CBP) retaining wall is evaluated by using physical modeling technique. Based on observations, the results of moment ratio minimization method are in good agreement with the results of the carried out physical modeling.

Keywords: cantilever retaining wall, physical modeling, minimization of moment ratio method, pivot point

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Authors: Saruhan Kartal, Ilker Kalkan

Abstract:

The present paper reports the cracking moment estimates of a set of steel-reinforced, Fiber Reinforced Polymer (FRP)-reinforced and hybrid steel-FRP reinforced concrete beams, calculated from different analytical formulations in the codes, together with the experimental cracking load values. A total of three steel-reinforced, four FRP-reinforced, 12 hybrid FRP-steel over-reinforced and five hybrid FRP-steel under-reinforced concrete beam tests were analyzed within the scope of the study. Glass FRP (GFRP) and Basalt FRP (BFRP) bars were used in the beams as FRP bars. In under-reinforced hybrid beams, rupture of the FRP bars preceded crushing of concrete, while concrete crushing preceded FRP rupture in over-reinforced beams. In both types, steel yielding took place long before the FRP rupture and concrete crushing. The cracking moment mainly depends on two quantities, namely the moment of inertia of the section at the initiation of cracking and the flexural tensile strength of concrete, i.e. the modulus of rupture. In the present study, two different definitions of uncracked moment of inertia, i.e. the gross and the uncracked transformed moments of inertia, were adopted. Two analytical equations for the modulus of rupture (ACI 318M and Eurocode 2) were utilized in the calculations as well as the experimental tensile strength of concrete from prismatic specimen tests. The ACI 318M modulus of rupture expression produced cracking moment estimates closer to the experimental cracking moments of FRP-reinforced and hybrid FRP-steel reinforced concrete beams when used in combination with the uncracked transformed moment of inertia, yet the Eurocode 2 modulus of rupture expression gave more accurate cracking moment estimates in steel-reinforced concrete beams. All of the analytical definitions produced analytical values considerably different from the experimental cracking load values of the solely FRP-reinforced concrete beam specimens.

Keywords: polymer reinforcement, four-point bending, hybrid use of reinforcement, cracking moment

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Authors: Mohamed Ayoub

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We perform computational investigation using density functional theory, B3LYP with aug-cc-pVTZ basis set followed by natural bond orbital analysis (NBO), which provides best single “natural Lewis structure” (NLS) representation of chosen wavefunction (Ψ) with natural resonance theory (NRT) to provide an analysis of molecular electron density in terms of resonance structures (RS) and weights (w). We selected for the study a wide range of gas phase dimers (B…HA), with hydrogen bond dissociation energies (ΔEB…H) that span more than two orders of magnitude. We demonstrate that charge transfer from a donor Lewis-type NBO (nB:) to an acceptor non-Lewis-type NBO (σHA*) is the primary cause for H-bonding not classical electrostatic (dipole-dipole or ionic). We provide a variety of structure, and spectroscopic descriptors to support the conclusion, such as IR frequency shift (ΔνHA), H-bond penetration distance (ΔRB..H), bond order (bB..H), charge-transfer (CTB→HA) and the corresponding donor-acceptor stabilization energy (ΔE(2)).

Keywords: natural bond orbital, hydrogen bonding, electron donor, electron acceptor

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Authors: Nader Ghareeb, Rüdiger Schmidt

Abstract:

Minimizing the weight in flexible structures means reducing material and costs as well. However, these structures could become prone to vibrations. Attenuating these vibrations has become a pivotal engineering problem that shifted the focus of many research endeavors. One technique to do that is to design and implement an active control system. This system is mainly composed of a vibrating structure, a sensor to perceive the vibrations, an actuator to counteract the influence of disturbances, and finally a controller to generate the appropriate control signals. In this work, two different techniques are explored to create two different mathematical models of an active control system. The first model is a finite element model with a reduced number of nodes and it is called a super-element. The second model is in the form of state-space representation, i.e. a set of partial differential equations. The damping coefficients are calculated and incorporated into both models. The effectiveness of these models is demonstrated when the system is excited by its first natural frequency and an active control strategy is developed and implemented to attenuate the resulting vibrations. Results from both modeling techniques are presented and compared.

Keywords: damping coefficients, finite element analysis, super-element, state-space model

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