Search results for: Electron filling factor

Authors: Olga Kononova, Andrejs Krasnikovs , Videvuds Lapsa, Jurijs Kalinka, Angelina Galushchak

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Post cracking behavior and load –bearing capacity of the steel fiber reinforced high-strength concrete (SFRHSC) are dependent on the number of fibers are crossing the weakest crack (bridged the crack) and their orientation to the crack surface. Filling the mould by SFRHSC, fibers are moving and rotating with the concrete matrix flow till the motion stops in each internal point of the concrete body. Filling the same mould from the different ends SFRHSC samples with the different internal structures (and different strength) can be obtained. Numerical flow simulations (using Newton and Bingham flow models) were realized, as well as single fiber planar motion and rotation numerical and experimental investigation (in viscous flow) was performed. X-ray pictures for prismatic samples were obtained and internal fiber positions and orientations were analyzed. Similarly fiber positions and orientations in cracked cross-section were recognized and were compared with numerically simulated. Structural SFRHSC fracture model was created based on single fiber pull-out laws, which were determined experimentally. Model predictions were validated by 15x15x60cm prisms 4 point bending tests.

Keywords: fibers, orientation, high strength concrete, flow

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Authors: N. I. Kargin, G. K. Safaraliev, A. S. Gusev, A. O. Sultanov, N. V. Siglovaya, S. M. Ryndya, A. A. Timofeev

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In this paper, an experimental and theoretical study of the processes of mesoporous silicon carbonization during the formation of buffer layers for the subsequent epitaxy of 3C-SiC films and related wide-band-gap semiconductors is performed. Experimental samples were obtained by the method of chemical vapor deposition and investigated by scanning electron microscopy. Analytic expressions were obtained for the effective diffusion factor and carbon atoms diffusion length in a porous system. The proposed model takes into account the processes of Knudsen diffusion, coagulation and overgrowing of pores during the formation of a silicon carbide layer.

Keywords: Silicon carbide, porous silicon, carbonization, electrochemical etching, diffusion.

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Authors: Sabah I. Wais, Raghad Y. Mohammed, Sedki O. Yousif

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The influence of axial magnetic field (B=0.48 T) on the variation of ionization efficiency coefficient h and secondary electron emission coefficient g with respect to reduced electric field E/P is studied at a new range of plane-parallel electrode spacing (0< d< 20 cm) and different nitrogen working pressure between 0.5-20 Pa. The axial magnetic field is produced from an inductive copper coil of radius 5.6 cm. The experimental data of breakdown voltage is adopted to estimate the mean Paschen curves at different working features. The secondary electron emission coefficient is calculated from the mean Paschen curve and used to determine the minimum breakdown voltage. A reduction of discharge voltage of about 25% is investigated by the applied of axial magnetic field. At high interelectrode spacing, the effect of axial magnetic field becomes more significant for the obtained values of h but it was less for the values of g.

Keywords: Paschen curve, Townsend coefficient, Secondaryelectron emission, Magnetic field, Minimum breakdown voltage.

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Authors: Sanjay L. Kurkute, Pradeep M. Patil, Kakasaheb C. Mohite

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An optimal control strategy based on simple model, a single phase unity power factor boost converter is presented with an evaluation of first order differential equations. This paper presents an evaluation of single phase boost converter having power factor correction. The simple discrete model of boost converter is formed and optimal control is obtained, digital PI is adopted to adjust control error. The method of instantaneous current control is proposed in this paper for its good tracking performance of dynamic response. The simulation and experimental results verified our design.

Keywords: Single phase, boost converter, Power factor correction (PFC), Pulse Width Modulation (PWM).

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Authors: A. Tavangari, N. Salehzadeh

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In the crack growth analysis, the Stress Intensity Factor (SIF) is a fundamental prerequisite. In the present study, the mode I stress intensity factor (SIF) of three-dimensional penny- Shaped crack is obtained in an isotropic elastic cylindrical medium with arbitrary dimensions under arbitrary loading at the top of the cylinder, by the semi-analytical method based on the Rayleigh-Ritz method. This method that is based on minimizing the potential energy amount of the whole of the system, gives a very close results to the previous studies. Defining the displacements (elastic fields) by hypothetical functions in a defined coordinate system is the base of this research. So for creating the singularity conditions at the tip of the crack the appropriate terms should be found.

Keywords: Penny-shaped crack, Stress intensity factor, Fracture mechanics, Ritz method.

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Authors: Behnam Shirkhanghah, Vahid Shahbaznejhad-Fard, Houshyar Eimani-Kalesar, Babak Pahlevan

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Flat double-layer grid is from category of space structures that are formed from two flat layers connected together with diagonal members. Increased stiffness and better seismic resistance in relation to other space structures are advantages of flat double layer space structures. The objective of this study is assessment and calculation of Behavior factor of flat double layer space structures. With regarding that these structures are used widely but Behavior factor used to design these structures against seismic force is not determined and exact, the necessity of study is obvious. This study is theoretical. In this study we used structures with span length of 16m and 20 m. All connections are pivotal. ANSYS software is used to non-linear analysis of structures.

Keywords: Behavior factor, Double-layer, Intensified resistance, Non-linear analysis

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Authors: Hubert Klar

Abstract:

High double excitation of two-electron atoms has been investigated using hyperpherical coordinates within a modified adiabatic expansion technique. This modification creates a novel fictitious force leading to a spontaneous exchange symmetry breaking at high double excitation. The Pauli principle must therefore be regarded as approximation valid only at low excitation energy. Threshold electron scattering from high Rydberg states shows an unexpected time reversal symmetry breaking. At threshold for double escape we discover a broad (few eV) Cooper pair.

Keywords: Correlation, resonances, threshold ionization, Cooper pair.

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Authors: Sukaesi Marianti

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This study aims to develop the Relational Mobility Scale for the Indonesian population and to investigate its psychometric properties. New items of the scale were created taking into account the Indonesian population which consists of two parallel forms (A and A’). This study uses 30 newly orchestrated items while keeping in mind the characteristics of the targeted population. The scale was administered to 433 public high school students in Malang, Indonesia. Construct validity of its factor structure was demonstrated using exploratory factor analysis and confirmatory factor analysis. The result exhibits that he model fits the data, and that the delayed alternate form method shows acceptable result. Results yielded that 21 items of the three-dimensional Relational Mobility Scale is suitable for measuring relational mobility in high school students of Indonesian population.

Keywords: Confirmatory factor analysis, exploratory factor analysis, delayed alternate form, Indonesian population, relational mobility scale.

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Authors: Eva Nedeliakova, Jaroslav Masek, Juraj Camaj

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This article describes the results of research focused on quality of railway freight transport services. Improvement of these services has a crucial importance in customer considering on the future use of railway transport. Processes filling the customer demands and output quality assessment were defined as a part of the research. In this contribution is introduced the map of quality planning and the algorithm of applied methodology. It characterizes a model which takes into account characters of transportation with linking a perception services quality in ordinary and extraordinary operation. Despite the fact that rail freight transport has its solid position in the transport market, lots of carriers worldwide have been experiencing a stagnation for a couple of years. Therefore, specific results of the research have a significant importance and belong to numerous initiatives aimed to develop and support railway transport not only by creating a single railway area or reducing noise but also by promoting railway services. This contribution is focused also on the application of dynamic quality models which represent an innovative method of evaluation quality services. Through this conception, time factor, expected, and perceived quality in each moment of the transportation process can be taken into account.

Keywords: Quality, railway, transport, service.

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Authors: A. R. Shahani, E. Mahdavi, M. Amidpour

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Environment-assisted cracking (EAC) is one of the most serious causes of structural failure over a broad range of industrial applications including offshore structures. In EAC condition there is not a definite relation such as Paris equation in Linear Elastic Fracture Mechanics (LEFM). According to studying and searching a lot what the researchers said either a material has contact with hydrogen or any other corrosive environment, phenomenon of electrical and chemical reactions of material with its environment will be happened. In the literature, there are many different works to consider fatigue crack growing and solve it but they are experimental works. Thus, in this paper, authors have an aim to evaluate mathematically the pervious works in LEFM. Obviously, if an environment is more sour and corrosive, the changes of stress intensity factor is more and the calculation of stress intensity factor is difficult. A mathematical relation to deal with the stress intensity factor during the diffusion of sour environment especially hydrogen in a marine pipeline is presented. By using this relation having and some experimental relation an analytical formulation will be presented which enables the fatigue crack growth and critical crack length under cyclic loading to be predicted. In addition, we can calculate KSCC and stress intensity factor in the pipeline caused by EAC.

Keywords: Embrittlement, Fracture mechanics, Hydrogen diffusion, Stress intensity factor.

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Authors: Kevin Moustapha

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Psychopathic disorders are taking an important part in judge sentencing, especially in Canada. First, we will see how this phenomenon can be illustrated by the high proportion of psychopath offenders incarcerated in North American prisons. Many decisions in Canadians courtrooms seem to point out that psychopathy is often used as a strong argument by the judges to preserve public safety. The fact that psychopathy is often associated with violence, recklessness and recidivism, could explain why many judges consider psychopathic disorders as an aggravating factor. Generally, the judge reasoning is based on Article 753 of Canadian Criminal Code related to dangerous offenders, which is used for individuals who show a pattern of repetitive and persistent aggressive behaviour. Then we will show how, with cognitive neurosciences, the psychopath’s situation in courtrooms would probably change. Cerebral imaging and news data provided by the neurosciences show that emotional and volitional functions in psychopath’s brains are impaired. Understanding these new issues could enable some judges to recognize psychopathic disorders as a mitigating factor. Finally, two important questions ought to be raised in this article: can exploring psychopaths ‘brains really change the judge sentencing in Canadian courtrooms? If yes, can judges consider psychopathy more as a mitigating factor than an aggravating factor?

Keywords: Criminal law, judges sentencing, neurosciences, psychopathy.

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Authors: Touhari Fadhila, Mehaiguene Madjid, Meddi Mohamed

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This work aims to assess the quality of water dams based on the monitoring of physical-chemical parameters by the National Agency of Water Resources (ANRH) for a period of 10 years (1999-2008). Quality sheets of surface water for the four dams in the region of upper Cheliff (Ghrib, Deurdeur, Harreza, and Ouled Mellouk) show a degradation of the quality (organic pollution expressed in COD and OM) over time. Indeed, the registered amount of COD often exceeds 50 mg/ l, and the OM exceeds 15 mg/l. This pollution is caused by discharges of wastewater and eutrophication. The waters of dams show a very high salinity (TDS = 2574 mg/l in 2008 for the waters of the dam Ghrib, standard = 1500 mg/l). The concentration of nitrogenous substances (NH₄⁺, NO₂^-) in water is high in 2008 at Ouled Melloukdam. This pollution is caused by the oxidation of nitrogenous organic matter. On the other hand, we studied the relationship between the evolution of quality parameters and filling dams. We observed a decrease in the salinity and COD following an improvement of the filling state of dams, this resides in the dilution water through the contribution of rainwater. While increased levels of nitrates and phosphorus in the waters of four dams studied during the rainy season is compared to the dry period, this increase may be due to leaching from fertilizers used in agricultural soils situated in watersheds.

Keywords: Surface water quality, pollution, physical-chemical parameters, upper Cheliff basin.

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Authors: Li Long, Thomas Ortlepp

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A theoretical model for the optimization of thermopile sensor performance is developed for thermoelectric-based infrared radiation detection. It is shown that the performance of polycrystalline silicon film thermopile sensor can be optimized according to the thermoelectric quality factor, sensor layer structure factor and sensor layout shape factor. Based on the properties of electrons, phonons, grain boundaries and their interactions, the thermoelectric quality factor of polycrystalline silicon is analyzed with the relaxation time approximation of Boltzmann transport equation. The model includes the effects of grain structure, grain boundary trap properties and doping concentration. The layer structure factor of sensor is analyzed with respect to infrared absorption coefficient. The effect of layout design is characterized with the shape factor, which is calculated for different sensor designs. Double layer polycrystalline silicon thermopile infrared sensors on suspended support membrane have been designed and fabricated with a CMOS-compatible process. The theoretical approach is confirmed with measurement results.

Keywords: Polycrystalline silicon film, relaxation time approximation, specific detectivity, thermal conductivity, thermopile infrared sensor.

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Authors: G. Türkmen, Ö. Tekin, K. Kurtuluş, Y. Y. Yurtseven, M. Baran

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A scanning electron microscope (SEM) is a type of electron microscope mainly used in nanoscience and nanotechnology areas. Automatic image recognition and classification are among the general areas of application concerning SEM. In line with these usages, the present paper proposes a deep learning algorithm that classifies SEM images into nine categories by means of an online application to simplify the process. The NFFA-EUROPE - 100% SEM data set, containing approximately 21,000 images, was used to train and test the algorithm at 80% and 20%, respectively. Validation was carried out using a separate data set obtained from the Middle East Technical University (METU) in Turkey. To increase the accuracy in the results, the Inception ResNet-V2 model was used in view of the Fine-Tuning approach. By using a confusion matrix, it was observed that the coated-surface category has a negative effect on the accuracy of the results since it contains other categories in the data set, thereby confusing the model when detecting category-specific patterns. For this reason, the coated-surface category was removed from the train data set, hence increasing accuracy by up to 96.5%.

Keywords: Convolutional Neural Networks, deep learning, image classification, scanning electron microscope.

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Authors: Yuling Xu, Haibo Wang, Dong Xie

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A photopolymerizable dimethacrylamide was synthesized and copolymerized with the selected (meth)acrylates. The polymerization rate, degree of conversion, gel time, and compressive strength of the formed neat resins were investigated. The results show that in situ photo-polymerization of the synthesized dimethacrylamide with comonomers having an electron-withdrawing and/or acrylate group dramatically increased the polymerization rate, degree of conversion, and compressive strength. On the other hand, an electron-donating group on either carbon-carbon double bond or the ester linkage slowed down the polymerization. In contrast, the triethylene glycol dimethacrylate-based system did not show a clear pattern. Both strong hydrogen-bonding between (meth)acrylamide and organic acid groups may be responsible for higher compressive strengths. Within the limitation of this study, the photo-polymerization of dimethacrylamide can be greatly accelerated by copolymerization with monomers having electron-withdrawing and/or acrylate groups. The monomers with methacrylate group can significantly reduce the polymerization rate and degree of conversion.

Keywords: Photopolymerization, dimethacrylamide, degree of conversion, compressive strength.

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Authors: B. Sathyanandhi, P. M. Balasubramaniam

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This paper presents Buck-Boost converter topology to maintain the input power factor by using the power factor stage control and regulation stage control. Suppose, if we are using the RL load the power factor will be reduced due to the presence of total harmonic distortion in the current wave. To improve the power factor the current waveform should follow the fundamental component of the voltage waveform. These can be achieved by using the high -frequency power converter. Based on the resonant circuit the converter is able to perform the function of Buck, Boost, and buck-boost converter. Here ,we have used Buck-Boost converter, because, the buck-boost converter has more advantages than the boost converter. Here the switching action of the power converter can  take place by using the external zero comparator PFC stage control. The power converter consisting of the resonant  circuit which is used to control the output voltage gain of the converter. The power converter is operated at a very high switching frequency in the range of 400KHz in order to overcome the switching losses of the power converter. Due to  presence of high switching frequency, the power factor will improve. Therefore, the total harmonics distortion present in the current waveform has also reduced. These results has generated in the form of simulation by using MATLAB/SIMULINK software.  Similar to the Buck and Boost converters, the operation of the Buck-Boost has best understood, in terms of the inductor's "reluctance" for allowing rapid change in current, which also reduces the Total Harmonic Distortion (THD) in the input current waveform, which can improve the input Power factor, based on the type of load used.

Keywords: Buck-boost converter, High switching frequency, Power factor correction, power factor correction stage Regulation stage, Total harmonic distortion (THD).

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Authors: Li Zong-Cheng

Abstract:

The deviation between the target state variable and the practical state variable should be used to form the state tending factor of complex systems, which can reflect the process for the complex system to tend rationalization. Relating to the system of basic equations of complete factor synergetics consisting of twenty nonlinear stochastic differential equations, the two new models are considered to set, which should be called respectively the rationalizing tendency model and the non- rationalizing tendency model. Therefore we can extend the theory of programming with the objective function & constraint condition suitable only for the realm of man-s activities into the new analysis with the tendency function & constraint condition suitable for all the field of complex system.

Keywords: complex system, complete factor synergetics, basicequation, rationalizing tendency model, non-rationalizing tendencymodel.

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Authors: M. D. Stelescu, E. Manaila, G. Craciun, D. Ighigeanu

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The goal of the paper is to present the results regarding the influence of the irradiation dose and amount of multifunctional monomer trimethylol-propane trimethacrylate (TMPT) on ethylene-propylene-diene terpolymer rubber (EPDM) mixtures irradiated in electron beam. Blends, molded on an electrically heated laboratory roller mill and compressed in an electrically heated hydraulic press, were irradiated using the ALID 7 of 5.5 MeV linear accelerator in the dose range of 22.6 kGy to 56.5 kGy in atmospheric conditions and at room temperature of 25 °C. The share of cross-linking and degradation reactions was evaluated by means of sol-gel analysis, cross-linking density measurements, FTIR studies and Charlesby-Pinner parameter (p₀/q₀) calculations. The blends containing different concentrations of TMPT (3 phr and 9 phr) and irradiated with doses in the mentioned range have present the increasing of gel content and cross-linking density. Modified and new bands in FTIR spectra have appeared, because of both cross-linking and chain scission reactions.

Keywords: Electron beam irradiation, EPDM rubber, crosslinking density, gel fraction.

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Authors: Alexey P. Antropov, Alexander V. Ragutkin, Nicolay A. Yashtulov

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The original controlled technology for power active nanocomposite membrane-electrode assembly engineering on the basis of porous silicon is presented. The functional nanocomposites were studied by electron microscopy and cyclic voltammetry methods. The application possibility of the obtained nanocomposites as high performance renewable energy sources for micro-power electronic devices is demonstrated.

Keywords: Cyclic voltammetry, electron microscopy, nanotechnology, platinum-palladium nanocomposites, porous silicon, power activity, renewable energy sources.

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Authors: Pei-Lin Yueh, Bor-Yann Chen, Chuan-Chung Hsueh

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This first-attempt study revealed that decolorized intermediates of azo dyes could act as redox mediators to assist wastewater (WW) decolorization due to enhancement of electron-transport phenomena. Electrochemical impedance spectra indicated that hydroxyl and amino-substituent(s) were functional group(s) as redox-mediator(s). As azo dyes are usually multiple benzene-rings structured, their derived decolorized intermediates are likely to play roles of electron shuttles due to lower barrier of energy gap for electron shuttling. According to cyclic voltammetric profiles, redox mediating characteristics of decolorized intermediates of azo dyes (e.g., RBu171, RR198, RR141, RBk5) were clearly disclosed. With supplementation of biodecolorized metabolites of RR141 and 198, decolorization performance of could be evidently augmented. This study also suggested the optimal modes of microbial fuel cell (MFC)-assisted WW decolorization would be plug-flow or batch mode of operation with no mix. Single chamber-MFCs would be more favourable than double chamber MFCs due to non-mixing contacting reactor scheme for operation.

Keywords: Redox mediators, dye decolorization, bioelectricity generation, microbial fuel cells.

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Authors: Abhilash Narayan, S. Panneerselvam

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Dual bell nozzle is a promising one among the altitude adaptation nozzle concepts, which offer increased nozzle performance in rocket engines. Its advantage is the simplicity it offers due to the absence of any additional mechanical device or movable parts. Hence it offers reliability along with improved nozzle performance as demanded by future launch vehicles. Among other issues, the flow transition to the extension nozzle of a dual bell nozzle is one of the major issues being studied in the development of dual bell nozzle. A parameter named over-expansion factor, which controls the value of the wall inflection angle, has been reported to have substantial influence in this transition process. This paper studies, through CFD and cold flow experiments, the effect of overexpansion factor on flow transition in dual bell nozzles.

Keywords: Altitude adaptation, Dual bell nozzle, Nozzle pressure ratio, Over-expansion factor

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Authors: Abouzar Moshfegh, Mehrzad Shams, Goodarz Ahmadi, Reza Ebrahimi

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A 3D simulation study for an incompressible slip flow around a spherical aerosol particle was performed. The full Navier-Stokes equations were solved and the velocity jump at the gas-particle interface was treated numerically by imposition of the slip boundary condition. Analytical solution to the Stokesian slip flow past a spherical particle was used as a benchmark for code verification, and excellent agreement was achieved. The Simulation results showed that in addition to the Knudsen number, the Reynolds number affects the slip correction factor. Thus, the Cunningham-based slip corrections must be augmented by the inclusion of the effect of Reynolds number for application to Lagrangian tracking of fine particles. A new expression for the slip correction factor as a function of both Knudsen number and Reynolds number was developed.

Keywords: CFD, Cunningham correction, Slip correction factor, Spherical aerosol.

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Authors: A. Abdikian

Abstract:

Propagation of nonlinear acoustic wave in dense electron-positron (e-p) plasmas in the presence of an external magnetic field and stationary ions (to neutralize the plasma background) is studied. By means of the quantum hydrodynamics model and applying the reductive perturbation method, the Zakharov-Kuznetsov equation is derived. Using the bifurcation theory of planar dynamical systems, the compressive structure of electrostatic solitary wave and periodic travelling waves is found. The numerical results show how the ion density ratio, the ion cyclotron frequency, and the direction cosines of the wave vector affect the nonlinear electrostatic travelling waves. The obtained results may be useful to better understand the obliquely nonlinear electrostatic travelling wave of small amplitude localized structures in dense magnetized quantum e-p plasmas and may be applicable to study the particle and energy transport mechanism in compact stars such as the interior of massive white dwarfs etc.

Keywords: Bifurcation theory, magnetized electron-positron plasma, phase portrait, the Zakharov-Kuznetsov equation.

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Authors: Parchami A., Fatahian Dehkordi RF.

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The present investigation aimed to study the histomorphometric characterizations of the thyroid gland of the duck. Five adult male and five adult female ducks were used in the experiment. Results showed that the overall histological structure of the thyroid gland of the duck were similar to those of the other vertebrae. The gland consisted of roughly spherical randomly distributed micro and macrofollicles with very little interstitial tissue between them. Each follicle is lined by a single layer of epithelial cells enclosing a cavity, the follicular cavity, which is filled with colloid. Ultrastructural findings showed that the apical surface of the follicular cells bears a variable number of short, irregularly distributed microvilli which are apparently more numerous on the columnar cells than on the lower, relatively inactive cells. Mitochondria and rough endoplasmic reticulum occupy the subnuclear region of the follicular cell, whereas the Golgi complex, free ribosomes and colloid droplets were found in the apical cytoplasm. At light or electron microscopic levels, there was no sex difference in histomorphometric characteristics of the thyroid glands.ls.

Keywords: Duck, Thyroid gland, Light microscopy, Electron microscopy

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Authors: N. Dahbi, D-E. Arafah

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The effect of chemical treatment in CdCl2 and thermal annealing in 400°C, on the defect structures of potentially useful ZnS\CdS solar cell thin films deposited onto quartz substrate and prepared by vacuum deposition method was studied using the Thermoluminesence (TL) techniques. A series of electron and hole traps are found in the various deposited samples studied. After annealing, however, it was observed that the intensity and activation energy of TL signal increases with loss of the low temperature electron traps.

Keywords: CdS, chemical treatment, heat treatment, Thermoluminescence, trapping parameters, thin film, vacuumdeposition, ZnS

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Authors: Chana Raksiri, Pornchai Chatchaikulsiri

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The objective of this research is parameters optimized of the stair shape workpiece which is cut by CNC Wire-Cut EDM (WEDW). The experiment material is SKD-11 steel of stair-shaped with variable height workpiece 10, 20, 30 and 40 mm. with the same 10 mm. thickness are cut by Sodick's CNC Wire-Cut EDM model AD325L. The experiments are designed by 3k full factorial experimental design at 3 level 2 factors and 9 experiments with 2 replicate. The selected two factor are servo voltage (SV) and servo feed rate (SF) and the response is cutting thickness error. The experiment is divided in two experiments. The first experiment determines the significant effective factor at confidential interval 95%. The SV factor is the significant effective factor from first result. In order to result smallest cutting thickness error of workpieces is 17 micron with the SV value is 46 volt. Also show that the lower SV value, the smaller different thickness error of workpiece. Then the second experiment is done to reduce different cutting thickness error of workpiece as small as possible by lower SV. The second experiment result show the significant effective factor at confidential interval 95% is the SV factor and the smallest cutting thickness error of workpieces reduce to 11 micron with the experiment SV value is 36 volt.

Keywords: CNC Wire-Cut, Variable Thickness Workpiece, Design of Experiments, Full Factorial Design

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Authors: Nishant Rodrigues, Nicole Spanedda, Chilukuri K. Mohan, Arindam Chakraborty

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A crucial objective in quantum chemistry is the computation of the energy levels of chemical systems. This task requires electron-repulsion integrals as inputs and the steep computational cost of evaluating these integrals poses a major numerical challenge in efficient implementation of quantum chemical software. This work presents a moment-based machine learning approach for the efficient evaluation of electron-repulsion integrals. These integrals were approximated using linear combinations of a small number of moments. Machine learning algorithms were applied to estimate the coefficients in the linear combination. A random forest approach was used to identify promising features using a recursive feature elimination approach, which performed best for learning the sign of each coefficient, but not the magnitude. A neural network with two hidden layers was then used to learn the coefficient magnitudes, along with an iterative feature masking approach to perform input vector compression, identifying a small subset of orbitals whose coefficients are sufficient for the quantum state energy computation. Finally, a small ensemble of neural networks (with a median rule for decision fusion) was shown to improve results when compared to a single network.

Keywords: Quantum energy calculations, atomic orbitals, electron-repulsion integrals, ensemble machine learning, random forests, neural networks, feature extraction.

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Authors: S. Lecheb, A. Nour, A. Chellil, H. Mechakra, N. Hamad, H. Kebir

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The work involves develops attended by a numerical execution of the eXtend Finite Element Method premises a measurement by the fracture process cracked so many cracked plates an application will be processed for the calculation of the stress intensity factor SIF. In the first we give in statically part the distribution of stress, displacement field and strain of composite plate in two cases uncrack/edge crack, also in dynamical part the first six modes shape. Secondly, we calculate Stress Intensity Factor SIF for different orientation angle θ of central crack with length (2a=0.4mm) in plan strain condition, KI and KII are obtained for mode I and mode II respectively using X-FEM method. Finally from crack inclined involving mixed modes results, the comparison we chose dangerous inclination and the best crack angle when K is minimal.

Keywords: Stress Intensity Factor (SIF), Crack orientation, Glass/Epoxy, natural Frequencies, X-FEM.

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Authors: Li Yuan, Weizhu Wang, Kean Boon Lee, Haifeng Sun, Susai Lawrence Selvaraj, Shane Todd, Guo-Qiang Lo

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In this work, the physical based device model of AlGaN/GaN high electron mobility transistors (HEMTs) has been established and the corresponding device operation behavior has been investigated also by using Sentaurus TCAD from Synopsys. Advanced AlGaN/GaN hetero-structures with GaN cap layer and AlN spacer have been considered and the GaN cap layer and AlN spacer are found taking important roles on the gate leakage blocking and off-state breakdown voltage enhancement.

Keywords: AlGaN/GaN, HEMT, Physical mechanism, TCAD simulation

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Authors: C. Photiphitak, P. Rakkwamsuk, P. Muthitamongkol, C. Thanachayanont

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TiO2/MgO composite films were prepared by coating the magnesium acetate solution in the pores of mesoporous TiO2 films using a dip coating method. Concentrations of magnesium acetate solution were varied in a range of 1x10-4 – 1x10-1 M. The TiO2/MgO composite films were characterized by scanning electron microscopy (SEM), transmission electron microscropy (TEM), electrochemical impedance spectroscopy(EIS) , transient voltage decay and I-V test. The TiO2 films and TiO2/MgO composite films were immersed in a 0.3 mM N719 dye solution. The Dye-sensitized solar cells with the TiO2/MgO/N719 structure showed an optimal concentration of magnesium acetate solution of 1x10-3 M resulting in the MgO film estimated thickness of 0.0963 nm and giving the maximum efficiency of 4.85%. The improved efficiency of dyesensitized solar cell was due to the magnesium oxide film as the wide band gap coating decays the electron back transfer to the triiodide electrolyte and reduce charge recombination.

Keywords: Magnesium oxide thin film, TiO2/MgO composite films, Electrochemical Impedance Spectrum, Transient voltage decay

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