Search results for: approximation of derivatives
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1081

Search results for: approximation of derivatives

511 Physical Properties of Uranium Dinitride UN2 by Using Density Functional Theory (DFT and DFT+U)

Authors: T. Zergoug, S. E. H. Abaidia, A. Nedjar, M. Y. Mokeddem

Abstract:

Physical properties of uranium di-nitride (UN2) were investigated in detail using first principles calculations based on density functional theory. To treat the strong correlation effects caused by 5f Uranium valence electrons, on-site Coulomb interaction correction via the Hubbard-like term, U (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard U is strong like Young modulus but for others it is weakly noticeable such as the density of state (DOS) or bulk modulus. We noticed also that up from U=7.5 eV, elastic results become not conform to the cubic cell elastic criteria since the C44 values turn out to be negative.

Keywords: uranium diNitride, UN2, DFT+U, elastic properties

Procedia PDF Downloads 441
510 Generation Transcritical Flow Influenced by Dissipation over a Hole

Authors: Mohammed Daher Albalwi

Abstract:

The transcritical flow of a stratified fluid over an obstacle for negative forcing amplitude (hole) that generation upstream and downstream, connected by an unsteady solution, is examined. In the weakly nonlinear, weakly dispersive regime, the problem is formulated in the forced Korteweg-de Vries–Burgers framework. This is done by including the influence of the viscosity of the fluid beyond the Korteweg–de Vries approximation. The results show that the influence of viscosity is crucial in determining various wave properties, including the amplitudes of solitary waves in the upstream and downstream directions, as well as the widths of the bores. We focused here on weak damping, and the results are presented for transcritical, supercritical, and subcritical flows. In general, the outcomes are not qualitatively similar to those from the forced Korteweg-de–Vries equation when the value of the viscous is small, interesting differences emerge as the magnitude of the value of viscous increases.

Keywords: Korteweg–de Vries–Burgers equation, soliton, transcritical flow, viscous flow

Procedia PDF Downloads 43
509 Monomial Form Approach to Rectangular Surface Modeling

Authors: Taweechai Nuntawisuttiwong, Natasha Dejdumrong

Abstract:

Geometric modeling plays an important role in the constructions and manufacturing of curve, surface and solid modeling. Their algorithms are critically important not only in the automobile, ship and aircraft manufacturing business, but are also absolutely necessary in a wide variety of modern applications, e.g., robotics, optimization, computer vision, data analytics and visualization. The calculation and display of geometric objects can be accomplished by these six techniques: Polynomial basis, Recursive, Iterative, Coefficient matrix, Polar form approach and Pyramidal algorithms. In this research, the coefficient matrix (simply called monomial form approach) will be used to model polynomial rectangular patches, i.e., Said-Ball, Wang-Ball, DP, Dejdumrong and NB1 surfaces. Some examples of the monomial forms for these surface modeling are illustrated in many aspects, e.g., construction, derivatives, model transformation, degree elevation and degress reduction.

Keywords: monomial forms, rectangular surfaces, CAGD curves, monomial matrix applications

Procedia PDF Downloads 144
508 Effect of Homogeneous and Heterogeneous Chemical Reactions on Peristaltic Flow of a Jeffrey Fluid in an Asymmetric Channel

Authors: G. Ravi Kiran, G. Radhakrishnamacharya

Abstract:

In this paper, the dispersion of a solute in the peristaltic flow of a Jeffrey fluid in the presence of both homogeneous and heterogeneous chemical reactions has been discussed. The average effective dispersion coefficient has been found using Taylor's limiting condition under long wavelength approximation. It is observed that the average dispersion coefficient increases with amplitude ratio which implies that dispersion is more in the presence of peristalsis. The average effective dispersion coefficient increases with Jeffrey parameter in the cases of both homogeneous and combined homogeneous and heterogeneous chemical reactions. Further, dispersion decreases with a phase difference, homogeneous reaction rate parameters, and heterogeneous reaction rate parameter.

Keywords: peristalsis, dispersion, chemical reaction, Jeffrey fluid, asymmetric channel

Procedia PDF Downloads 582
507 Synthesis, Characterization and Antibacterial Screening of 3-Hydroxy-2-[3-(2/3/4-Methoxybenzoyl)Thioureido]Butyric Acid

Authors: M. S. M. Yusof, R. Ramli, S. K. C. Soh, N. Ismail, N. Ngah

Abstract:

This study presents the synthesis of a series of methoxybenzoylthiourea amino acid derivatives. The compounds were obtained from the reactions between 2/3/4-methoxybenzoyl isothiocyanate with threonine. All of the compounds were characterized via mass spectrometry, 1H and 13C NMR spectrometry, UV-Vis spectrophotometer and FT-IR spectroscopy. Mass spectra for all of the compounds showed the presence of molecular ion [M]+ peaks at m/z 312, which are in agreement to the calculated molecular weight. For 1H NMR spectra, the presence of OCH3, C=S-NH and C=O-NH protons were observed within range of δH 3.8-4.0 ppm, 11.1-11.5 ppm and 10.0-11.5 ppm, respectively. 13C NMR spectra in all compounds displayed the presence of OCH3, C=O-NH, C=O-OH and C=S carbon resonances within range of δC 55.0-57.0 ppm, 165.0-168.0 ppm, 170.0-171.0 ppm and 180.0-182.0 ppm, respectively. In UV spectra, two absorption bands have been observed and both were assigned to the n-π* and π-π* transitions. Six vibrational modes of v(N-H), v(O-H), v(C=O-OH), v(C=O-NH), v(C=C) aromatic and v(C=S) appeared in the FT-IR spectra within the range of 3241-3467 cm-1, 2976-3302 cm-1, 1720-1768 cm-1, 1655-1672 cm-1, 1519-1525 cm-1 and 754-763 cm-1, respectively. The antibacterial activity for all of the compounds was screened against Staphylococcus aureus, Staphylococcus epidermidis, Salmonella typhimurium and Escherichia coli. However, no activity was observed.

Keywords: methoxybenzoyl isothiocyanate, amino acid, threonine, antibacterial

Procedia PDF Downloads 328
506 Stator Short-Circuits Fault Diagnosis in Induction Motors

Authors: K. Yahia, M. Sahraoui, A. Guettaf

Abstract:

This paper deals with the problem of stator faults diagnosis in induction motors. Using the discrete wavelet transform (DWT) for the current Park’s vector modulus (CPVM) analysis, the inter-turn short-circuit faults diagnosis can be achieved. This method is based on the decomposition of the CPVM signal, where wavelet approximation and detail coefficients of this signal have been extracted. The energy evaluation of a known bandwidth detail permits to define a fault severity factor (FSF). This method has been tested through the simulation of an induction motor using a mathematical model based on the winding-function approach. Simulation, as well as experimental results, show the effectiveness of the used method.

Keywords: induction motors (IMs), inter-turn short-circuits diagnosis, discrete wavelet transform (DWT), Current Park’s Vector Modulus (CPVM)

Procedia PDF Downloads 451
505 Coordination Polymer Hydrogels Based on Coinage Metals and Nucleobase Derivatives

Authors: Lamia L. G. Al-Mahamad, Benjamin R. Horrocks, Andrew Houlton

Abstract:

Hydrogels based on metal coordination polymers of nucleosides and a range of metal ions (Au, Ag, Cu) have been prepared and characterized by atomic force microscopy (AFM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, ultraviolet-visible absorption spectroscopy, and powder X-ray diffraction. AFM images of the xerogels revealed the formation of extremely long polymer molecules (> 10 micrometers, the maximum scan range). This result is also consistent with TEM images which show a fibrous morphology. Oxidative doping of the Au-nucleoside fibres produces an electrically conductive nanowire. No sharp Bragg peaks were found at the at the X-ray diffraction pattern for metal ions hydrogels indicating that the samples were amorphous, but instead the data showed broad peaks in the range 20 < Q < 40 and correspond to distances d=2μ/Q. The data was analysed using a simplified Rietveld method by fitting a regression model to obtain the distance between atoms.

Keywords: hydrogel, metal ions, nanowire, nucleoside

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504 A Generalized Family of Estimators for Estimation of Unknown Population Variance in Simple Random Sampling

Authors: Saba Riaz, Syed A. Hussain

Abstract:

This paper is addressing the estimation method of the unknown population variance of the variable of interest. A new generalized class of estimators of the finite population variance has been suggested using the auxiliary information. To improve the precision of the proposed class, known population variance of the auxiliary variable has been used. Mathematical expressions for the biases and the asymptotic variances of the suggested class are derived under large sample approximation. Theoretical and numerical comparisons are made to investigate the performances of the proposed class of estimators. The empirical study reveals that the suggested class of estimators performs better than the usual estimator, classical ratio estimator, classical product estimator and classical linear regression estimator. It has also been found that the suggested class of estimators is also more efficient than some recently published estimators.

Keywords: study variable, auxiliary variable, finite population variance, bias, asymptotic variance, percent relative efficiency

Procedia PDF Downloads 221
503 Influence of Thermal Radiation on MHD Micropolar Fluid Flow, Heat and Mass Transfer over Vertical Flat Plate

Authors: Alouaoui Redha, Ferhat Samira, Bouaziz Mohamed Najib

Abstract:

In this work, we examine the thermal radiation effect on heat and mass transfer in steady laminar boundary layer flow of an incompressible viscous micropolar fluid over a vertical plate, with the presence of a magnetic field. Rosseland approximation is applied to describe the radiative heat flux in the energy equation. The resulting similarity equations are solved numerically. Many results are obtained and representative set is displayed graphically to illustrate the influence of the various parameters on different profiles. The conclusion is drawn that the flow field, temperature, concentration and microrotation as well as the skin friction coefficient and the both local Nusselt and local Sherwood numbers are significantly influenced by Magnetic parameter, material parameter and thermal radiation parameter.

Keywords: MHD, micropolar fluid, thermal radiation, heat and mass transfer, boundary layer

Procedia PDF Downloads 448
502 Prediction Study of the Structural, Elastic and Electronic Properties of the Parent and Martensitic Phases of Nonferrous Ti, Zr, and Hf Pure Metals

Authors: Tayeb Chihi, Messaoud Fatmi

Abstract:

We present calculations of the structural, elastic and electronic properties of nonferrous Ti, Zr, and Hf pure metals in both parent and martensite phases in bcc and hcp structures respectively. They are based on the generalized gradient approximation (GGA) within the density functional theory (DFT). The shear modulus, Young's modulus and Poisson's ratio for Ti, Zr, and Hf metals have were calculated and compared with the corresponding experimental values. Using elastic constants obtained from calculations GGA, the bulk modulus along the crystallographic axes of single crystals was calculated. This is in good agreement with experiment for Ti and Zr, whereas the hcp structure for Hf is a prediction. At zero temperature and zero pressure, the bcc crystal structure is found to be mechanically unstable for Ti, Zr, and Hf. In our calculations the hcp structures is correctly found to be stable at the equilibrium volume. In the electronic density of states (DOS), the smaller n(EF) is, the more stable the compound is. Therefore, in agreement with the results obtained from the total energy minimum.

Keywords: Ti, Zr, Hf, pure metals, transformation, energy

Procedia PDF Downloads 345
501 Flavonoids and Phenolic Acids from the Aerial Parts of Alyssum alyssoides

Authors: Olga St. Tsiftsoglou, Diamanto M. Lazari, Eugene L. Kokkalou

Abstract:

Most of Alyssum species of Brassicaceae family have been mainly studied for their contribution in ecology. In this study, A. alyssoides was examined for its chemical substitutes. The methanol extract of its aerial parts was fractionated with liquid-liquid extraction (distribution) with four different solvents of increasing polarity: diethyl ether, ethyl acetate, 1-butanol and water. The diethyl ether and ethyl acetate extracts were further studied for their chemical composition. So far, secondary metabolites which belong to phenolics were isolated by using several chromatographic methods (C.C. and HPLC) and were identified by using spectroscopic methods (UV/Vis, NMR and MS): two phenolic acids (p-hydroxy-benzoic acid and 3-methoxy-4-hydroxy-benzoic acid (vanillic acid)), and five flavonoids, which are derivatives of flavonol: kaempferol 3-O-β-D-glucopyranoside (astragalin), kaempferol 3-O-(6′′-α-L-rhamnopyranosyl)-β-D-glucopyranoside (nicotiflorin), quercetin 3-O-β-D-glucopyranoside (isoquercetin), isorhamnetin-3-O-β-D-glucopyranoside, and isoramnetin 3-O-(6′′-α-L-rhamnopyranosyl)-β-D-glucopyranoside (narcissin).

Keywords: Alyssum, chemical substitutes, flavonoids, phenolic acids

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500 Natural Convection in Wavy-Wall Cavities Filled with Power-Law Fluid

Authors: Cha’o-Kuang Chen, Ching-Chang Cho

Abstract:

This paper investigates the natural convection heat transfer performance in a complex-wavy-wall cavity filled with power-law fluid. In performing the simulations, the continuity, Cauchy momentum and energy equations are solved subject to the Boussinesq approximation using a finite volume method. The simulations focus specifically on the effects of the flow behavior index in the power-law model and the Rayleigh number on the flow streamlines, isothermal contours and mean Nusselt number within the cavity. The results show that pseudoplastic fluids have a better heat transfer performance than Newtonian or dilatant fluids. Moreover, it is shown that for Rayleigh numbers greater than Ra=103, the mean Nusselt number has a significantly increase as the flow behavior index is decreased.

Keywords: non-Newtonian fluid, power-law fluid, natural convection, heat transfer enhancement, cavity, wavy wall

Procedia PDF Downloads 258
499 Validation and Fit of a Biomechanical Bipedal Walking Model for Simulation of Loads Induced by Pedestrians on Footbridges

Authors: Dianelys Vega, Carlos Magluta, Ney Roitman

Abstract:

The simulation of loads induced by walking people in civil engineering structures is still challenging It has been the focus of considerable research worldwide in the recent decades due to increasing number of reported vibration problems in pedestrian structures. One of the most important key in the designing of slender structures is the Human-Structure Interaction (HSI). How moving people interact with structures and the effect it has on their dynamic responses is still not well understood. To rely on calibrated pedestrian models that accurately estimate the structural response becomes extremely important. However, because of the complexity of the pedestrian mechanisms, there are still some gaps in knowledge and more reliable models need to be investigated. On this topic several authors have proposed biodynamic models to represent the pedestrian, whether these models provide a consistent approximation to physical reality still needs to be studied. Therefore, this work comes to contribute to a better understanding of this phenomenon bringing an experimental validation of a pedestrian walking model and a Human-Structure Interaction model. In this study, a bi-dimensional bipedal walking model was used to represent the pedestrians along with an interaction model which was applied to a prototype footbridge. Numerical models were implemented in MATLAB. In parallel, experimental tests were conducted in the Structures Laboratory of COPPE (LabEst), at Federal University of Rio de Janeiro. Different test subjects were asked to walk at different walking speeds over instrumented force platforms to measure the walking force and an accelerometer was placed at the waist of each subject to measure the acceleration of the center of mass at the same time. By fitting the step force and the center of mass acceleration through successive numerical simulations, the model parameters are estimated. In addition, experimental data of a walking pedestrian on a flexible structure was used to validate the interaction model presented, through the comparison of the measured and simulated structural response at mid span. It was found that the pedestrian model was able to adequately reproduce the ground reaction force and the center of mass acceleration for normal and slow walking speeds, being less efficient for faster speeds. Numerical simulations showed that biomechanical parameters such as leg stiffness and damping affect the ground reaction force, and the higher the walking speed the greater the leg length of the model. Besides, the interaction model was also capable to estimate with good approximation the structural response, that remained in the same order of magnitude as the measured response. Some differences in frequency spectra were observed, which are presumed to be due to the perfectly periodic loading representation, neglecting intra-subject variabilities. In conclusion, this work showed that the bipedal walking model could be used to represent walking pedestrians since it was efficient to reproduce the center of mass movement and ground reaction forces produced by humans. Furthermore, although more experimental validations are required, the interaction model also seems to be a useful framework to estimate the dynamic response of structures under loads induced by walking pedestrians.

Keywords: biodynamic models, bipedal walking models, human induced loads, human structure interaction

Procedia PDF Downloads 127
498 Convergence Analysis of Cubic B-Spline Collocation Method for Time Dependent Parabolic Advection-Diffusion Equations

Authors: Bharti Gupta, V. K. Kukreja

Abstract:

A comprehensive numerical study is presented for the solution of time-dependent advection diffusion problems by using cubic B-spline collocation method. The linear combination of cubic B-spline basis, taken as approximating function, is evaluated using the zeros of shifted Chebyshev polynomials as collocation points in each element to obtain the best approximation. A comparison, on the basis of efficiency and accuracy, with the previous techniques is made which confirms the superiority of the proposed method. An asymptotic convergence analysis of technique is also discussed, and the method is found to be of order two. The theoretical analysis is supported with suitable examples to show second order convergence of technique. Different numerical examples are simulated using MATLAB in which the 3-D graphical presentation has taken at different time steps as well as different domain of interest.

Keywords: cubic B-spline basis, spectral norms, shifted Chebyshev polynomials, collocation points, error estimates

Procedia PDF Downloads 217
497 Stationary Energy Partition between Waves in a Carbyne Chain

Authors: Svetlana Nikitenkova, Dmitry Kovriguine

Abstract:

Stationary energy partition between waves in a one dimensional carbyne chain at ambient temperatures is investigated. The study is carried out by standard asymptotic methods of nonlinear dynamics in the framework of classical mechanics, based on a simple mathematical model, taking into account central and noncentral interactions between carbon atoms. Within the first-order nonlinear approximation analysis, triple-mode resonant ensembles of quasi-harmonic waves are revealed. Any resonant triad consists of a single primary high-frequency longitudinal mode and a pair of secondary low-frequency transverse modes of oscillations. In general, the motion of the carbyne chain is described by a superposition of resonant triads of various spectral scales. It is found that the stationary energy distribution is obeyed to the classical Rayleigh–Jeans law, at the expense of the proportional amplitude dispersion, except a shift in the frequency band, upwards the spectrum.

Keywords: resonant triplet, Rayleigh–Jeans law, amplitude dispersion, carbyne

Procedia PDF Downloads 437
496 Fiqh Challenge in Production of Halal Pharmaceutical Products

Authors: Saadan Man, Razidah Othmanjaludin, Madiha Baharuddin

Abstract:

Nowadays, the pharmaceutical products are produced through the mixing of active and complex ingredient, naturally or synthetically; and involve extensive use of prohibited animal products. This article studies the challenges faced from fiqh perspective in the production of halal pharmaceutical products which frequently contain impure elements or prohibited animal derivatives according to Islamic law. This study is qualitative which adopts library research as well as field research by conducting series of interviews with the several related parties. The gathered data is analyzed from Sharia perspective by using some instruments especially the principle of Maqasid of Sharia. This study shows that the halal status of pharmaceutical products depends on the three basic elements: the sources of the basic ingredient; the processes involved in three phases of production, i.e., before, during and after; and the possible effects of the products. Various fiqh challenges need to be traversed in producing halal pharmaceutical products including the sources of the ingredients, the logistic process, the tools used, and the procedures of productions. Thus, the whole supply chain of production of pharmaceutical products must be well managed in accordance to the halal standard.

Keywords: fiqh, halal pharmaceutical, pharmaceutical products, Malaysia

Procedia PDF Downloads 188
495 An ab initioStudy of the Structural, Elastic, Electronic, and Optical Properties of the Perovskite ScRhO3

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β, are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function, have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap

Procedia PDF Downloads 75
494 Approximation of Selenium Content in Watermelons for Use as a Food Supplement

Authors: Roggers Mutwiri Aron

Abstract:

Watermelons are fruits that belong to the family cucurbitaceous. There are many types of watermelons have been positively identified to exist in the world. A watermelon consists of four distinct parts namely; seeds, pink flesh, white flesh and peel. It also contains high content of water of approximately 90% that is rich in essential minerals such as, phosphorous, calcium, magnesium, and potassium, sodium trace amounts of copper, iron, zinc and selenium. Watermelons have substantial amounts of boron, iodine, chromium, silicon and molybdenum. The levels of nutrients in different parts of the watermelons may be different. Selenium has been found to be a very useful food supplement especially for people living with HIV/AIDS. An experimental study was carried out to estimate the amount Se in different parts of the watermelon. Analysis of sampled watermelons was conducted using atomic absorption spectrophotometer. The results of the study indicated that high content of Se was present in the seeds compared to the other parts. High content of Se was also found in the water contained in the watermelon seeds.

Keywords: food supplement, watermelons, HIV/AIDS, nutrition, fruits

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493 Synthesis and Antibacterial Evaluation of Natural Bioactive 3,4-DihydroisocoumarinAnalogues

Authors: Hummera Rafique, Aamer Saeed

Abstract:

Synthesis of structural analogues of various well known bioactive natural 3,4-dihydroisocoumarins viz. Scorzocreticin, Annulatomarin, Montroumarin, and Thunberginol B, have been carried out starting from 3,5-dimethoxy-4-methylphenyl acetic acid. 3,5-Dimethoxy-4-methylphenyl acetic acid was then condensed with various aryl acid chlorides (a-e) to afford the corresponding 6,8-dimethoxy-7-methyl-3-aryl isocoumarins (5a-e). The alkaline hydrolysis of isocoumarins yields keto-acids (3a-e), which were then reduced to hydroxyacids, followed by cyclodehydration with acetic anhydride furnish corresponding 3,4-dihydroisocoumarins (7a-e). Finally, demethylation of 3,4-dihydroisocoumarins was carried out to afford 6,8-dihydroxy-7-methyl-3-aryl-3,4-dihydroisocoumarins (7a-e). Antibacterial evaluation of all the synthesized compounds were carried out against ten bacterial strains, it was concluded that isocoumarins (5a-e) and 3,4-dihydroisocoumarins (7a-e) are more active against gram positive bacteria then gram negative. However, the 6,8-dihydroxy-3,4-dihydroisocoumarin derivatives (8a-e) are more active against gram negative then gram positive.

Keywords: 3, 5-Dimethoxy-4-methylhomophthalic acid, natural 3, 4-Dihydroisocoumarin analogues, antibacterial activity, isocoumarins, demethylation

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492 Studies of Substituent and Solvent Effect on Spectroscopic Properties Of 6-OH-4-CH3, 7-OH-4-CH3 and 7-OH-4-CF3 Coumarin

Authors: Sanjay Kumar

Abstract:

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

Procedia PDF Downloads 828
491 Facile Synthesis of Novel Substituted Aryl-Thiazole (SAT) Analogs via One-Pot Multicomponent Reaction as Potent Cytotoxic Agents against Cancer Cell Lines

Authors: Salma Mirza, Syeda Asma Naqvi, Khalid Mohammed Khan, M. Iqbal Choudhary

Abstract:

In this study twenty-five (25) newly synthesized compounds substituted aryl thiazoles (SAT) 1-25 were synthesized, and in vitro cytotoxicity of these compounds was evaluated against four cancer cell lines namely, MCF-7 (ER+ve breast), MDA-MB-231 (ER-ve breast), HCT116 (colorectal), and, HeLa (cervical) and compared with the standard anticancer drug doxorubicin with IC50 value of 1.56 ± 0.05 μM. Among them, compounds 1, 4-8 and 19 were found to be active against all four cell lines. Compound 20 was found to be selectively active against MCF7 cells with IC50 value of 40.21 ± 4.15 µM, whereas compound 19 was active against only MCF7 and HeLa cells with IC50 values of 46.72 ± 1.8 and 19.86 ± 0.11 μM, respectively. These results suggest that aryl thiazoles 1 and 4 deserve to be investigated further in vivo as anti-cancer agents.

Keywords: anticancer agents, breast cancer cell lines (MCF7, MDA-MB-231), colorectal cancer cell line (HCT-116), cervical cancer cell line (HeLa), Thiazole derivatives

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490 The Kinks, the Solitons, and the Shocks in Series Connected Discrete Josephson Transmission Lines

Authors: Eugene Kogan

Abstract:

We analytically study the localized running waves in the discrete Josephson transmission lines (JTL), constructed from Josephson junctions (JJ) and capacitors. The quasi-continuum approximation reduces the calculation of the running wave properties to the problem of equilibrium of an elastic rod in the potential field. Making additional approximations, we reduce the problem to the motion of the fictitious Newtonian particle in the potential well. We show that there exist running waves in the form of supersonic kinks and solitons and calculate their velocities and profiles. We show that the nonstationary smooth waves, which are small perturbations on the homogeneous non-zero background, are described by Korteweg-de Vries equation, and those on zero background -by the modified Korteweg-de Vries equation. We also study the effect of dissipation on the running waves in JTL and find that in the presence of the resistors, shunting the JJ and/or in series with the ground capacitors, the only possible stationary running waves are the shock waves, whose profiles are also found.

Keywords: Josephson transmission line, shocks, solitary waves, nonlinear waves

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489 The Spherical Geometric Model of Absorbed Particles: Application to the Electron Transport Study

Authors: A. Bentabet, A. Aydin, N. Fenineche

Abstract:

The mean penetration depth has a most important in the absorption transport phenomena. Analytical model of light ion backscattering coefficients from solid targets have been made by Vicanek and Urbassek. In the present work, we showed a mathematical expression (deterministic model) for Z1/2. In advantage, in the best of our knowledge, relatively only one analytical model exit for electron or positron mean penetration depth in solid targets. In this work, we have presented a simple geometric spherical model of absorbed particles based on CSDA scheme. In advantage, we have showed an analytical expression of the mean penetration depth by combination between our model and the Vicanek and Urbassek theory. For this, we have used the Relativistic Partial Wave Expansion Method (RPWEM) and the optical dielectric model to calculate the elastic cross sections and the ranges respectively. Good agreement was found with the experimental and theoretical data.

Keywords: Bentabet spherical geometric model, continuous slowing down approximation, stopping powers, ranges, mean penetration depth

Procedia PDF Downloads 638
488 Effects of Daily Temperature Changes on Transient Heat and Moisture Transport in Unsaturated Soils

Authors: Davood Yazdani Cherati, Ali Pak, Mehrdad Jafarzadeh

Abstract:

This research contains the formulation of a two-dimensional analytical solution to transient heat, and moisture flow in a semi-infinite unsaturated soil environment under the influence of daily temperature changes. For this purpose, coupled energy conservation and mass fluid continuity equations governing hydrothermal behavior of unsaturated soil media are presented in terms of temperature and volumetric moisture content. In consideration of the soil environment as an infinite half-space and by linearization of the governing equations, Laplace–Fourier transformation is conducted to convert differential equations with partial derivatives (PDEs) to ordinary differential equations (ODEs). The obtained ODEs are solved, and the inverse transformations are calculated to determine the solution to the system of equations. Results indicate that heat variation induces moisture transport in both horizontal and vertical directions.

Keywords: analytical solution, heat conduction, hydrothermal analysis, laplace–fourier transformation, two-dimensional

Procedia PDF Downloads 211
487 Numerical Method for Fin Profile Optimization

Authors: Beghdadi Lotfi

Abstract:

In the present work a numerical method is proposed in order to optimize the thermal performance of finned surfaces. The bidimensional temperature distribution on the longitudinal section of the fin is calculated by restoring to the finite volumes method. The heat flux dissipated by a generic profile fin is compared with the heat flux removed by the rectangular profile fin with the same length and volume. In this study, it is shown that a finite volume method for quadrilaterals unstructured mesh is developed to predict the two dimensional steady-state solutions of conduction equation, in order to determine the sinusoidal parameter values which optimize the fin effectiveness. In this scheme, based on the integration around the polygonal control volume, the derivatives of conduction equation must be converted into closed line integrals using same formulation of the Stokes theorem. The numerical results show good agreement with analytical results. To demonstrate the accuracy of the method, the absolute and root-mean square errors versus the grid size are examined quantitatively.

Keywords: Stokes theorem, unstructured grid, heat transfer, complex geometry, effectiveness

Procedia PDF Downloads 266
486 Theoretical Investigation of the Structural, Electronic, Optical and Elastic Properties of the Perovskite ScRhO₃

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap.

Procedia PDF Downloads 68
485 Why and When to Teach Definitions: Necessary and Unnecessary Discontinuities Resulting from the Definition of Mathematical Concepts

Authors: Josephine Shamash, Stuart Smith

Abstract:

We examine reasons for introducing definitions in teaching mathematics in a number of different cases. We try to determine if, where, and when to provide a definition, and which definition to choose. We characterize different types of definitions and the different purposes we may have for formulating them, and detail examples of each type. Giving a definition at a certain stage can sometimes be detrimental to the development of the concept image. In such a case, it is advisable to delay the precise definition to a later stage. We describe two models, the 'successive approximation model', and the 'model of the extending definition' that fit such situations. Detailed examples that fit the different models are given based on material taken from a number of textbooks, and analysis of the way the concept is introduced, and where and how its definition is given. Our conclusions, based on this analysis, is that some of the definitions given may cause discontinuities in the learning sequence and constitute obstacles and unnecessary cognitive conflicts in the formation of the concept definition. However, in other cases, the discontinuity in passing from definition to definition actually serves a didactic purpose, is unavoidable for the mathematical evolution of the concept image, and is essential for students to deepen their understanding.

Keywords: concept image, mathematical definitions, mathematics education, mathematics teaching

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484 Influence of Nanoparticles Phenomena on the Peristaltic Flow of Pseudoplastic Fluid in an Inclined Asymmetric Channel with Different Wave Forms

Authors: Safia Akram

Abstract:

The influence of nanofluid with different waveforms in the presence of inclined asymmetric channel on peristaltic transport of a pseudoplastic fluid is examined. The governing equations for two-dimensional and two directional flows of a pseudoplastic fluid along with nanofluid are modeled and then simplified under the assumptions of long wavelength and low Reynolds number approximation. The exact solutions for temperature and nanoparticle volume fraction are calculated. Series solution of the stream function and pressure gradient are carried out using perturbation technique. The flow quantities have been examined for various physical parameters of interest. It was found, that the magnitude value of the velocity profile decreases with an increase in volume flow rate (Q) and relaxation times (ζ) and increases in sinusoidal, multisinusoidal, trapezoidal and triangular waves. It was also observed that the size of the trapping bolus decreases with the drop of the width of the channel ‘d’ and increases with a rise of relaxation times ζ.

Keywords: nanofluid particles, peristaltic flow, pseudoplastic fluid, different waveforms, inclined asymmetric channel

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483 Analytical Response Characterization of High Mobility Transistor Channels

Authors: F. Z. Mahi, H. Marinchio, C. Palermo, L. Varani

Abstract:

We propose an analytical approach for the admittance response calculation of the high mobility InGaAs channel transistors. The development of the small-signal admittance takes into account the longitudinal and transverse electric fields through a pseudo two-dimensional approximation of the Poisson equation. The total currents and the potentials matrix relation between the gate and the drain terminals determine the frequency-dependent small-signal admittance response. The analytical results show that the admittance spectrum exhibits a series of resonant peaks corresponding to the excitation of plasma waves. The appearance of the resonance is discussed and analyzed as functions of the channel length and the temperature. The model can be used, on one hand, to control the appearance of plasma resonances, and on the other hand, can give significant information about the admittance phase frequency dependence.

Keywords: small-signal admittance, Poisson equation, currents and potentials matrix, the drain and the gate terminals, analytical model

Procedia PDF Downloads 537
482 Atomic Hydrogen Storage in Hexagonal GdNi5 and GdNi4Cu Rare Earth Compounds: A Comparative Density Functional Theory Study

Authors: A. Kellou, L. Rouaiguia, L. Rabahi

Abstract:

In the present work, the atomic hydrogen absorption trend in the GdNi5 and GdNi4Cu rare earth compounds within the hexagonal CaCu5 type of crystal structure (space group P6/mmm) is investigated. The density functional theory (DFT) combined with the generalized gradient approximation (GGA) is used to study the site preference of atomic hydrogen at 0K. The octahedral and tetrahedral interstitial sites are considered. The formation energies and structural properties are determined in order to evaluate hydrogen effects on the stability of the studied compounds. The energetic diagram of hydrogen storage is established and compared in GdNi5 and GdNi4Cu. The magnetic properties of the selected compounds are determined using spin polarized calculations. The obtained results are discussed with and without hydrogen addition taking into account available theoretical and experimental results.

Keywords: density functional theory, hydrogen storage, rare earth compounds, structural and magnetic properties

Procedia PDF Downloads 109