Search results for: spectroscopic constants

Authors: Nayla El-Kork, Farah Korjieh, Ahmed Bentiba, Mahmoud Korek

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Ab-initio calculations have been performed to investigate the spectroscopic constants for the diatomic compound BeF. Values of the internuclear distance Re, the harmonic frequency ωe, the rotational constants Be, the electronic transition energy with respect to the ground state Te, the eignvalues Ev, the abscissas of the turning points Rmin, Rmax, the rotational constants Bv and the centrifugal distortion constants Dv have been calculated for the molecule’s ground and excited electronic states. Results are in agreement with experimental data.

Keywords: spectroscopic constant, potential energy curve, diatomic molecule, spectral analysis

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Authors: Tahani H. Alluhaybi, Leila Mejrissi

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In the present theoretical study, we investigated adiabatically the electronic structure of the (BaNa)+ by the use of the ab initio calculation. We optimized a large atomic GTO basis set for Na and Ba atoms. The (BaNa)+ molecular ion is considered a two-electron thank to a non-empirical pseudo-potentials approach applied to Ba and Na cores with the Core Polarization Potentials operator (CPP). Then, we performed the Full Configuration Interaction (FCI) method. Accordingly, we calculated the adiabatic Potential Energy Curves (PECs) and their spectroscopic constants (well depth De, transition energies Te, the equilibrium distances Re, vibrational constant ⍵e, and anharmonic constant ⍵exe) for 10 electronic states in Σ+ symmetry. Then we determined the vibrational level energies and their spacing, and the electric Permanent Dipole Moments (PDM).

Keywords: Ab initio, dipole moment, non-empirical pseudo-potential, potential energy curves, spectroscopic constants, vibrational energy

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Authors: Chi Zhang, Jun Jiang

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Constitutive equations are very important in finite element (FE) modeling, and the accuracy of the material constants in the equations have significant effects on the accuracy of the FE models. A wide range of constitutive equations are available; however, fitting the material constants in the constitutive equations could be complex and time-consuming due to the strong non-linearity and relationship between the constants. This work will focus on the development of a set of unified MATLAB programs for fitting the material constants in the constitutive equations efficiently. Users will only need to supply experimental data in the required format and run the program without modifying functions or precisely guessing the initial values, or finding the parameters in previous works and will be able to fit the material constants efficiently.

Keywords: constitutive equations, FE modelling, MATLAB program, non-linear curve fitting

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Authors: Makhlouf Sandy, Adem Ziad, Taher Fadia, Magnier Sylvie

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The electronic structure of 90ZrS has been investigated using Ab-initio methods based on Complete Active Space Self Consistent Field and Multi-reference Configuration Interaction (CASSCF/MRCI). The number of predicted states has been extended to 14 singlet and 12 triplet lowest-lying states situated below 36000cm-1. The equilibrium energies of these 26 lowest-lying electronic states have been calculated in the 2S+1Λ(±) representation. The potential energy curves have been plotted in function of the inter-nuclear distances in a range of 1.5 to 4.5Å. Spectroscopic constants, permanent electric dipole moments and transition dipole moments between the different electronic states have also been determined. A discrepancy error of utmost 5% for the majority of values shows a good agreement with available experimental data. The ground state is found to be of symmetry X1Σ+ with an equilibrium inter-nuclear distance Re= 2.16Å. However, the (1)3Δ is the closest state to X1Σ+ and is situated at 514 cm-1. To the best of our knowledge, this is the first time that the spin-orbit coupling has been investigated for all the predicted states of ZrS. 52 electronic components in the Ω(±) representation have been predicted. The energies of these components, the spectroscopic constants ωe, ωeχe, βe and the equilibrium inter-nuclear distances have been also obtained. The percentage composition of the Ω state wave-functions in terms of S-Λ states was calculated to identify their corresponding main parents. These (SOC) calculations have determined the shift between (1)3Δ1 and X1Σ+ states and confirmed the ground state type being 1Σ+.

Keywords: CASSCF/MRCI, electronic structure, spin-orbit effect, zirconium monosulfide

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Authors: Christopher Mkirema Maghanga, Maurice Mghendi Mwamburi

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Parametric modeling provides a means to deeper understand the properties of materials. Drude, Brendel, Lorentz and OJL incorporated in SCOUT® software are some of the models used to study dielectric films. In our work, we utilized Brendel and Drude models to extract the optical constants from spectroscopic data of fabricated undoped and niobium doped titanium oxide thin films. The individual contributions by the two models were studied to establish how they influence the dielectric function. The effect of dopants on their influences was also analyzed. For the undoped films, results indicate minimal contribution from the Drude term due to the dielectric nature of the films. However as doping levels increase, the rise in the concentration of free electrons favors the use of Drude model. Brendel model was confirmed to work well with dielectric films - the undoped titanium Oxide films in our case.

Keywords: modeling, Brendel model, optical constants, titanium oxide, Drude Model

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Authors: Ergun Guntekin

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Elastic constants of Fir wood (Abies cilicica) have been investigated by means of ultrasound and compression tests. Three modulus of elasticity in principal directions (EL, ER, ET), six Poisson’s ratios (ʋLR, ʋLT, ʋRT, ʋTR, ʋRL, ʋTL) and three shear modules (GLR, GRT, GLT) were determined. 20 x 20 x 60 mm samples were conditioned at 65 % relative humidity and 20ºC before testing. Three longitudinal and six shear wave velocities propagating along the principal axes of anisotropy, and additionally, three quasi-shear wave velocities at 45° angle with respect to the principal axes of anisotropy were measured. 2.27 MHz longitudinal and 1 MHz shear sensors were used for obtaining sound velocities. Stress-strain curves of the samples in compression tests were obtained using bi-axial extensometer in order to calculate elastic constants. Test results indicated that most of the elastic constants determined in the study are within the acceptable range. Although elastic constants determined from ultrasound are usually higher than those determined from compression tests, the values of EL and GLR determined from compression tests were higher in the study. The results of this study can be used in the numerical modeling of elements or systems under load using Fir wood.

Keywords: compression tests, elastic constants, fir wood, ultrasound

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Authors: M. A. Ghebouli, A. Bouhemadou, H. Choutri, L. Louaila

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Some physical properties of the cubic perovskites CsXF3 (X = Sr, Ca, and Hg) have been investigated using pseudopotential plane–wave (PP-PW) method based on the density functional theory (DFT). The calculated lattice constants within GGA (PBE) and LDA (CA-PZ) agree reasonably with the available experiment data. The elastic constants and their pressure derivatives are predicted using the static finite strain technique. We derived the bulk and shear moduli, Young’s modulus, Poisson’s ratio and Lamé’s constants for ideal polycrystalline aggregates. The analysis of B/G ratio indicates that CsXF3 (X = Ca, Sr, and Hg) are ductile materials. The thermal effect on the volume, bulk modulus, heat capacities CV, CP, and Debye temperature was predicted.

Keywords: perovskite, PP-PW method, elastic constants, electronic band structure

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Authors: F. Rahimi Dehgolan, M. Behzadi, J. Fathi Sola

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In this article, the Johnson-Cook material model’s constants for structural steel ST.37 have been determined by a method which integrates experimental tests, numerical simulation, and optimization. In the first step, a quasi-static test was carried out on a plain specimen. Next, the constants were calculated for it by minimizing the difference between the results acquired from the experiment and numerical simulation. Then, a quasi-static tension test was performed on three notched specimens with different notch radii. At last, in order to verify the results, they were used in numerical simulation of notched specimens and it was observed that experimental and simulation results are in good agreement. Changing the diameter size of the plain specimen in the necking area was set as the objective function in the optimization step. For final validation of the proposed method, diameter variation was considered as a parameter and its sensitivity to a change in any of the model constants was examined and the results were completely corroborating.

Keywords: constants, Johnson-Cook material model, notched specimens, quasi-static test, sensitivity

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Authors: Ergun Guntekin

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This study investigated elastic constants of scots pine (Pinus sylvestris L.) grown in Turkey by means of ultrasonic waves. Three Young’s modulus, three shear modulus and six Poisson ratios were determined at constant moisture content (12 %). Three longitudinal and six shear wave velocities propagating along the principal axes of anisotropy, and additionally, three quasi-shear wave velocities at 45° with respect to the principal axes of anisotropy were measured using EPOCH 650 ultrasonic flaw detector. The measured average longitudinal wave velocities for the sapwood in L, R, T directions were 4795, 1713 and 1117 m/s, respectively. The measured average shear wave velocities ranged from 682 to 1382 m/s. The measured quasi-shear wave velocities varied between 642 and 1280 m/s. The calculated average modulus of elasticity values for the sapwood in L, R, T directions were 11913, 1565 and 663 N/mm2, respectively. The calculated shear modulus in LR, LT and RT planes were 1031, 541, 415 N/mm2. Comparing with available literature, the predicted elastic constants are acceptable.

Keywords: elastic constants, prediction, Scots pine, ultrasound

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Authors: Reena Behal, D. P. Shukla

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In this paper, we investigate Bulk Viscous Bianchi Type V Cosmological Model with Time dependent gravitational constant and cosmological constant in general Relativity by assuming ξ(t)=ξ_(0 ) p^m where ξ_(0 ) and m are constants. We also assume a variation law for Hubble parameter as H(R) = a (R^(-n)+1), where a>0, n>1 being constant. Two universe models were obtained, and their physical behavior has been discussed. When n=1 the Universe starts from singular state whereas when n=0 the cosmology follows a no singular state. The presence of bulk viscosity increase matter density’s value.

Keywords: Bulk Viscous Bianchi Type V Cosmological Model, hubble constants, gravitational constant, cosmological constants

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Authors: Moses Emetere, Marvel Akinyemi, S. E. Sanni

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At the moment, AERONET or AMMA database shows a large volume of data loss. With only about 47% data set available to the scientist, it is evident that accurate nowcast or forecast cannot be guaranteed. The calibration constants of most radiosonde or weather stations are not compatible with the atmospheric conditions of the West African climate. A dispersion model was developed to incorporate salient mathematical representations like a Unified number. The Unified number was derived to describe the turbulence of the aerosols transport in the frictional layer of the lower atmosphere. Fourteen years data set from Multi-angle Imaging SpectroRadiometer (MISR) was tested using the dispersion model. A yearly estimation of the atmospheric constants over Ouagadougou using the model was obtained with about 87.5% accuracy. It further revealed that the average atmospheric constant for Ouagadougou-Niger is a_1 = 0.626, a_2 = 0.7999 and the tuning constants is n_1 = 0.09835 and n_2 = 0.266. Also, the yearly atmospheric constants affirmed the lower atmosphere of Ouagadougou is very dynamic. Hence, it is recommended that radiosonde and weather station manufacturers should constantly review the atmospheric constant over a geographical location to enable about eighty percent data retrieval.

Keywords: aerosols retention, aerosols loading, statistics, analytical technique

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Authors: Rohin Sharma, Sumantu Chaulagain

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This paper presents calculations of total energy of InGaN alloy carried out in a disordered quasirandom structure for a triclinic super cell. This structure replicates the disorder and composition effect in the alloy. First principle calculations within the density functional theory with the local density approximation approach is employed to accurately determine total energy of the system. Lattice constants and band gaps associated with the ground states are then estimated for different concentration ratios of the alloy. We provide precise results of quasirandom structures of the alloy and their lattice constants with the total energy and band gap energy of the system for the range of seven different composition ratios and their respective lattice parameters.

Keywords: DFT, ground state, LDA, quasicrystal, triclinic super cell

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Authors: Ramadan Ali Bawa, Ebtisam Mohammed Alzaraide

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The spectroscopic study on 4-(9-anthrylazo) phenol has revealed that the azo dye under study exists in two tautomeric forms which are azo phenol and hydrazo keto forms in ratio of almost (1:1). The azo hydrazone tautomerism was confirmed by the use of IR spectroscopy and HNMR in which the characteristic absorption bands and chemical shifts for both tautomers were assigned.

Keywords: spectroscopic, tautomeric forms, azo hydrazone tautomerism, IR spectroscopy, HNMR

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Authors: Nazmi Mat Nawi, Muhamad Najib Mohamad Nor, Che Dini Maryani Ishkandar

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This study was conducted to evaluate the capability of spectroscopic methods to detect the presence of pesticide residues on leaf mustard. A total of 105 leaf mustard used were divided into five batches, four batches were treated with four different types of pesticides whereas one batch with no pesticide applied. Spectral data were obtained using visible shortwave near infrared spectrometer (VSWNIRS) which is Ocean Optics HR4000 High-resolution Miniature Fiber Optic Spectrometer. Reflectance value was collected to determine the difference between one pesticide to the other. The obtained spectral data were pre-processed for optimum performance. The effective wavelength of approximate 880 nm, 675-710 nm also 550 and 700 nm indicates the overtones -CH stretching vibration, tannin, also chlorophyll content present in the leaf mustard respectively. This study has successfully demonstrated that the spectroscopic method was able to differentiate between leaf mustard sample with and without pesticide residue.

Keywords: detect, leaf mustard, non-destructive, pesticide residue

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Authors: S. Kassou, R. El Mrabet, A. Belaaraj, P. Guionneau, N. Hadi, T. Lamcharfi

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The organic–inorganic hybrid perovskite-like [C₆H₅C₂H₄NH₃]₂ZnCl₄ (PEA-ZnCl₄) was synthesized by saturated solutions method. X-ray powder diffraction, Raman spectroscopy, UV-visible transmittance, and capacitance meter measurements have been used to characterize the structure, the functional groups, the optical parameters, and the dielectric constants of the material. The material has a layered structure. The optical transmittance (T %) was recorded and applied to deduce the absorption coefficient (α) and optical band gap (Eg). The hybrid shows an insulator character with a direct band gap about 4.46 eV, and presents high dielectric constants up to a frequency of about 10⁵ Hz, which suggests a ferroelectric behavior. The reported optical and dielectric properties can help to understand the fundamental properties of perovskite materials and also to be used for optimizing or designing new devices.

Keywords: dielectric constants, optical band gap (eg), optical parameters, Raman spectroscopy, self-assembly organic inorganic hybrid

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Authors: Ammar Benamrani

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This work investigates the equation of state parameters, elastic constants, and several other physical properties of (B2-type) Yttrium-Copper (YCu) rare earth intermetallic compound using the projected augmented wave (PAW) pseudopotentials method as implemented in the Quantum Espresso code. Using both the local density approximation (LDA) and the generalized gradient approximation (GGA), the finding of this research on the lattice parameter of YCu intermetallic compound agree very well with the experimental ones. The obtained results of the elastic constants and the Debye temperature are also in general in good agreement compared to the theoretical ones reported previously in literature. Furthermore, several thermodynamic properties of YCu intermetallic compound have been studied using quasi-harmonic approximations (QHA). The calculated data on the thermodynamic properties shows that the free energy and both isothermal and adiabatic bulk moduli decrease gradually with increasing of the temperature, while all other thermodynamic quantities increase with the temperature.

Keywords: Yttrium-Copper intermetallic compound, thermo_pw package, elastic constants, thermodynamic properties

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Authors: Tugba Yilmaz Aydin, Ergun Guntekin, Murat Aydin

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Effects of heat treatment on the elastic constants of cedar wood (Cedrus libani) were investigated. Specimens were exposed to heat under atmospheric pressure at four different temperatures (120, 150, 180, 210 °C) and three different time levels (2, 5, 8 hours). Three Young’s modulus (EL, ER, ET) and six Poisson ratios (μLR, μLT, μRL, μRT, μTL, μTR) were determined from compression test using bi-axial extensometer at constant moisture content (12 %). Three shear modulus were determined using ultrasound. Six shear wave velocities propagating along the principal axes of anisotropy were measured using EPOCH 650 ultrasonic flaw detector with 1 MHz transverse transducers. The properties of the samples tested were significantly affected by heat treatment by different degree. As a result, softer treatments yielded some amount of increase in Young modulus and shear modulus values, but increase of time and temperature resulted in significant decrease for both values. Poisson ratios seemed insensitive to heat treatment.

Keywords: cedar wood, elastic constants, heat treatment, ultrasound

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

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

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

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Authors: M. F. Slim, A. Alhussein, F. Sanchette, M. François

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Thin films are widely used in various applications to enhance the surface properties and characteristics of materials. They are used in many domains such as: biomedical, automotive, aeronautics, military, electronics and energy. Depending on the elaboration technique, the elastic behavior of thin films may be different from this of bulk materials. This dependence on the elaboration techniques and their parameters makes the control of the elasticity constants of coated components necessary. Our work is focused on the characterization of the elasticity constants of isotropic thin films by means of Impulse Excitation Techniques. The tests rely on the measurement of the sample resonance frequency before and after deposition. In this work, a finite element model was performed with ABAQUS software. This model was then compared with the analytical approaches used to determine the Young’s and shear moduli. The best model to determine the film Young’s modulus was identified and a relation allowing the determination of the shear modulus of thin films of any thickness was developed. In order to confirm the model experimentally, Tungsten films were deposited on glass substrates by DC magnetron sputtering of a 99.99% purity tungsten target. The choice of tungsten was done because it is well known that its elastic behavior at crystal scale is ideally isotropic. The macroscopic elasticity constants, Young’s and shear moduli and Poisson’s ratio of the deposited film were determined by means of Impulse Excitation Technique. The Young’s modulus obtained from IET was compared with measurements by the nano-indentation technique. We did not observe any significant difference and the value is in accordance with the one reported in the literature. This work presents a new methodology on the determination of the elasticity constants of thin films using Impulse Excitation Technique. A formulation allowing the determination of the shear modulus of a coating, whatever the thickness, was developed and used to determine the macroscopic elasticity constants of tungsten films. The developed model was validated numerically and experimentally.

Keywords: characterization, coating, dynamical resonant method, Poisson's ratio, PVD, shear modulus, Young's modulus

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Authors: Aïssa Manallah, Mohamed Bouafia

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Ellipsometry is an optical method based on the study of the behavior of polarized light. The light reflected on a surface induces a change in the polarization state which depends on the characteristics of the material (complex refractive index and thickness of the different layers constituting the device). The purpose of this work is to determine the optical properties of semiconductor thin films by ellipsometry. This paper describes the experimental aspects concerning the semiconductor samples, the SE400 ellipsometer principle, and the results obtained by direct measurements of ellipsometric parameters and modelling using appropriate software.

Keywords: ellipsometry, optical constants, semiconductors, thin films

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Authors: Mohammad Anwar, Shah Waliullah

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The development of science and technology in the present era has an urgent demand for the training of thinking of undergraduates. This requirement actively promotes research and teaching of basic theories, beneficial to the career development of students. This study clarified the dialectical relation between the thermodynamic equilibrium constant and reaction rate constant through the contrast thinking method. Findings reveal that both the isobaric Van't Hoff equation and the Arrhenius equation had four similar forms, and the change in the trend of both constants showed a similar law. By the derivation of the formation rate constant of the product (KY) and the consumption rate constant of the reactant (KA), the ratio of both constants at the end state indicated the nature of the equilibrium state in agreement with that of the thermodynamic equilibrium constant (K^θ (T)). This study has thus presented that the thermodynamic equilibrium constant contained the characteristics of microscopic dynamics based on the analysis of the reaction mechanism, and both constants are organically connected and unified. The reaction enthalpy and activation energy are closely related to each other with the same connotation.

Keywords: thermodynamic equilibrium constant, reaction rate constant, PBL teaching, dialectical relation, innovative thinking

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Authors: Juliana V. Pereira, Adriana S. M. Batista, Jefferson P. Nascimento, Clascídia A. Furtado, Luiz O. Faria

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The combination of the properties of graphene oxide (OG) and PVDF homopolymer makes their combined composite materials as multifunctional systems with great potential. Knowledge of the molecular structure is essential for better use. In this work, the degradation of PVDF polymer exposed to gamma irradiation in oxygen atmosphere in high dose rate has been studied and compared to degradation of PVDF/OG composites. The samples were irradiated with a Co-60 source at constant dose rate, with doses ranging from 100 kGy to 1,000 kGy. In FTIR data shown that the formation of oxidation products was at the both samples with formation of carbonyl and hydroxyl groups amongst the most prevalent products in the pure PVDF samples. In the other hand, the composites samples exhibit less presence of degradation products with predominant formation of carbonyl groups, these results also seen in the UV-Vis analysis. The results show that the samples of composites may have greater resistance to the irradiation process, since they have less degradation products than pure PVDF samples seen by spectroscopic techniques.

Keywords: gamma irradiation, PVDF, PVDF/OG composites, spectroscopic techniques

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Authors: Hussein Hakim, Zainab Al-Ramadhan, Ahmed Hashim

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Polymer nano composites of polyvinylpyrrolidone and poly-ethylene glycol with different concentrations of aluminum oxide (Al2O3) nano particles have been prepared by solution cast method. The optical characterizations have been done by analyzing the absorption (A) spectra in the 300–800 nm spectral region. It was found that the optical energy gap decreases with the increasing of Al2O3 nano particles content. The optical constants (refractive index, extinction coefficient, real and imaginary parts of the dielectric constant) are changing with increasing aluminum oxide nano particle concentrations.

Keywords: nanocomposites, polyvinylpyrrolidone, optical constants, polymers, blend

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Authors: E. Izsó, M. Bartalné-Berceli, Sz. Gergely, A. Salgó

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The aims of this investigation is to elaborate near-infrared methods for testing and recognition of chemical components and quality in “Pannon wheat” allied (i.e. true to variety or variety identified) milling fractions as well as to develop spectroscopic methods following the milling processes and evaluate the stability of the milling technology by different types of milling products and according to sampling times, respectively. This wheat categories produced under industrial conditions where samples were collected versus sampling time and maximum or minimum yields. The changes of the main chemical components (such as starch, protein, lipid) and physical properties of fractions (particle size) were analysed by dispersive spectrophotometers using visible (VIS) and near-infrared (NIR) regions of the electromagnetic radiation. Close correlation were obtained between the data of spectroscopic measurement techniques processed by various chemometric methods (e.g. principal component analysis (PCA), cluster analysis (CA) and operation condition of milling technology. Its obvious that NIR methods are able to detect the deviation of the yield parameters and differences of the sampling times by a wide variety of fractions, respectively. NIR technology can be used in the sensitive monitoring of milling technology.

Keywords: near infrared spectroscopy, wheat categories, milling process, monitoring

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Authors: E. Güler, M. Güler

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We present some elastic parameters of cubic fluorite type uranium dioxide (UO2) with a recent EAM type interatomic potential through geometry optimization calculations. Typical cubic elastic constants, bulk modulus, shear modulus, young modulus and other related elastic parameters were calculated during research. After calculations, we compared our results not only with the available theoretical data but also with previous experimental results. Our results are consistent with experiments and compare well the former theoretical results of the considered parameters of UO2.

Keywords: UO2, elastic constants, bulk modulus, mechanical properties

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Authors: E. Yazıcı, H. Sundu, E. Veli Veliev

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In order to understand the nature of strong interactions and QCD vacuum, investigation of the meson coupling constants have an important role. The knowledge on the temperature dependence of the form factors is very important for the interpretation of heavy-ion collision experiments. Also, more accurate determination of these coupling constants plays a crucial role in understanding of the hadronic decays. With the increasing of CM energies of the experiments, researches on meson interactions have become one of the more interesting problems of hadronic physics. In this study, we analyze the temperature dependence of the strong form factor of the BcBcJ/ψ vertex using the three point QCD sum rules method. Here, we assume that with replacing the vacuum condensates and also the continuum threshold by their thermal version, the sum rules for the observables remain valid. In calculations, we take into account the additional operators, which appear in the Wilson expansion at finite temperature. We also investigated the momentum dependence of the form factor at T = 0, fit it into an analytic function, and extrapolate into the deep time-like region in order to obtain a strong coupling constant of the vertex. Our results are consistent with the results existing in the literature.

Keywords: QCD sum rules, thermal QCD, heavy mesons, strong coupling constants

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Authors: Ergun Guntekin

Abstract:

Effects of heat treatment on elastic constants of Black pine (Pinus nigra) wood were investigated. Specimens were exposed to heat under atmospheric pressure at two different temperatures (180 and 210 °C) and three different time levels (2, 5, 8 hours). Three Young’s modulus in three anatomical directions, six Poisson’s ratios and three Shear modulus values associated with the main directions were evaluated by compression tests. Compression strength of the samples in three principal directions was also determined. All of the properties of the specimens tested were altered by heat treatment. The degree of alteration depends on the temperature as well as duration applied. Results indicate that EL and compression strength in L direction were not significantly influenced, compression strength in R direction significantly decreased, ER, ET and compression strength in T direction were increased for shorter periods, then dropped for 8-hour application of 180 ºC. ER was not significantly affected, compression strength in R direction and EL was significantly decreased, ET and compression strength in T direction were increased for shorter periods, then decreased for 8-hour application of 210 ºC. The shear modulus of the samples was decreased with application of treatment combinations. Most of the Poisson’s ratios were not affected by heat treatment.

Keywords: black pine, elastic constants, heat treatment, wood

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Authors: Shilpa Kapoor, Namrata Yaduvanshi, Pooja Pawar, Sadhna Singh

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A Three Body Interaction Potential (TBIP) model is developed to study the high pressure phase transition of SrS having NaCl (B1) structure at room temperature. This model includes the long range Columbic, three body interaction forces, short range overlap forces operative up to next nearest neighbors and zero point energy effects. We have investigated the phase transition with pressure, volume collapse and second order elastic constants and found results well suited with available experimental data.

Keywords: phase transition, second order elastic constants, three body interaction forces, volume collapses

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Authors: I. Belbachir, T. Benabdallah, N. Belhadj

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The present research work describes the synthesis, through a multi-step strategy, as well as the structural characterization of a polydentate organic ligand, namely the bis(4-amino-5-mercapto-1,2,4-triazole-3-yl)butane (BAMT). The bis-triazolic ligand was characterized by different spectroscopic studies, in order to enlighten its coordination mode, in the neutral and deprotonated forms, towards cobalt(II), nickel(II) and copper(II) sulfates, in both solution and solid state. The stoichiometry of the complexes [neutral BAMT-metal] and [deprotonated BAMT-metal] was first established in a solution of DMF with each of the three metallic cations and their complexation constants calculated, allowing us to compare the stability of the various prepared complexes. The various complexes were finally isolated in the solid state and the coordination mode of neutral and deprotonated BAMT explored towards each of the three metallic sulfates. The establishment of some ligand field parameters (Dq, B, β…) by electronic spectroscopy finally allowed to compare the coordination modes of BAMT towards each of the three metals and to highlight the influence of the deprotonation on the complexing properties of the bis-triazolic ligand.

Keywords: 1, 2, 4-triazol, bis-1, 2, 4-triazol, metallic complexes, coordination in solution and solid state

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Authors: Hatice Guzel, Imran Oral, Huseyin Isler

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In this study, elastic constants, Young’s modulus, Poisson’s ratios, and shear moduli of orthotropic composite materials, consisting of E-glass/epoxy and carbon/epoxy, were calculated by ultrasonic velocities which were measured using ultrasonic pulse-echo method. 35 MHz computer controlled analyzer, 60 MHz digital oscilloscope, 5 MHz longitudinal probe, and 2,25 MHz transverse probe were used for the measurements of ultrasound velocities, the measurements were performed at ambient temperature. It was understood from the data obtained in this study that, measured ultrasound velocities and the calculated elasticity coefficients were depending on the fiber orientations.

Keywords: composite materials, elastic constants, orthotropic materials, ultrasound

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