Search results for: charge carrier dynamics

Authors: Ivan Samokhin

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A new two-factor model of school students’ capacity levels is proposed. It considers the academic productivity and emotional condition of children taking part in the study process. Each basic level reflects the correlation of these two factors. The teacher decides whether the required result is achieved or not and write down the grade (from 'A' to 'F') in the register. During the term, the teacher can estimate the students’ progress with any intervals, but it is not desirable to exceed a two-week period (with primary school being an exception). Each boy or girl should have a special notebook to record the emotions which they feel studying a subject. The children can make their notes the way they like it – for example, using a ten-point scale or a short verbal description. It is recommended to record the emotions twice a day: after the lesson and after doing the homework. Before the students start doing this, they should be instructed by a school psychologist, who has to emphasize that an attitude to the subject – not to a person in charge of it – is relevant. At the end of the term, the notebooks are given to the teacher, who is now able to make preliminary conclusions about academic results and psychological comfort of each student. If necessary, some pedagogical measures can be taken. The data about a supposed capacity level is available for the teacher and the school administration. In certain cases, this information can be also revealed to the student’s parents, while the student learns it only after receiving a school-leaving certificate (until this moment, the results are not considered ultimate). Then a person may take these data into consideration when choosing his/her future area of higher education. We single out four main capacity levels: 'nominally low', 'inclination', 'ability' and 'gift'.

Keywords: academic productivity, capacity level, emotional condition, school students

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Authors: Rimzhim Gupta, Bhanupriya Boruah, Jayant M. Modak, Giridhar Madras

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Microbial contamination is one of the major concerns in the field of water treatment. AOP (advanced oxidation processes) is well-established method to resolve the issue of removal of contaminants in water. A Z-scheme composite g-C₃N₄/CuWO₄ was synthesized by sol-gel method for the photocatalytic inactivation of a mixed population of Gram-positive bacteria (S. aureus) and Gram-negative bacteria (E. coli). The photoinactivation was observed for different types of bacteria in the same medium together and individually in the absence of the nutrients. The lattice structures and phase purities were determined by X-ray diffraction. For morphological and topographical features, scanning electron microscopy and transmission electron microscopy analyses were carried out. The band edges of the semiconductor (valence band and conduction band) were determined by ultraviolet photoelectron microscopy. The lifetime of the charge carriers and band gap of the semiconductors were determined by time resolved florescence spectroscopy and diffused reflectance spectroscopy, respectively. The effect of weight ratio of C₃N₄ and CuWO₄ was observed by performing photocatalytic experiments. To investigate the exact mechanism and major responsible radicals for photocatalysis, scavenger studies were performed. The rate constants and order of the inactivation reactions were obtained by power law kinetics. For E. coli and S. aureus, the order of reaction and rate constants are 1.15, 0.9 and 1.39 ± 0.03 (CFU/mL)⁻⁰.¹⁵ h⁻¹, 47.95 ± 1.2 (CFU/mL)⁰.¹ h⁻¹, respectively.

Keywords: z-scheme, E. coli, S. aureus, sol-gel

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Authors: S. Vivek, Sharad Sharan, R. Arvind, D. V. Praveen, J. Vigneshwar, S. Ajith, V. R. Sanal Kumar

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In this paper numerical studies have been carried out to examine the starting transient flow features of high-performance solid propellant rocket motors with different port geometries but with same propellant loading density. Numerical computations have been carried out using a 3D SST k-ω turbulence model. This code solves standard k-omega turbulence equations with shear flow corrections using a coupled second order implicit unsteady formulation. In the numerical study, a fully implicit finite volume scheme of the compressible, Reynolds-Averaged, Navier-Stokes equations are employed. We have observed from the numerical results that in solid rocket motors with highly loaded propellants having divergent port geometry the hot igniter gases can create pre-ignition thrust oscillations due to flow unsteadiness and recirculation. Under these conditions the convective flux to the surface of the propellant will be enhanced, which will create reattachment point far downstream of the transition region and it will create a situation for secondary ignition and formation of multiple-flame fronts. As a result the effective time required for the complete burning surface area to be ignited comes down drastically giving rise to a high pressurization rate (dp/dt) in the second phase of starting transient. This in effect could lead to starting thrust oscillations and eventually a hard start of the solid rocket motor. We have also observed that the igniter temperature fluctuations will be diminished rapidly and will reach the steady state value faster in the case of solid propellant rocket motors with convergent port than the divergent port irrespective of the igniter total pressure. We have concluded that the thrust oscillations and unexpected thrust spike often observed in solid rockets with non-uniform ports are presumably contributed due to the joint effects of the geometry dependent driving forces, transient burning and the chamber gas dynamics forces. We also concluded that the prudent selection of the port geometry, without altering the propellant loading density, for damping the total temperature fluctuations within the motor is a meaningful objective for the suppression and control of instability and/or pressure/thrust oscillations often observed in solid propellant rocket motors with non-uniform port geometry.

Keywords: ignition transient, solid rockets, starting transient, thrust transient

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Authors: Gonzalo García-Reyes

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Conformastat spherically symmetric exact solutions of Einstein's field equations representing matter distributions made of fluid both perfect and anisotropic from given solutions of Poisson's equation of Newtonian gravity are investigated. The approach is used in the construction of new relativistic models of thick spherical shells and three-component models of galaxies (bulge, disk, and dark matter halo), writing, in this case, the metric in cylindrical coordinates. In addition, the circular motion of test particles (rotation curves) along geodesics on the equatorial plane of matter configurations and the stability of the orbits against radial perturbations are studied. The models constructed satisfy all the energy conditions.

Keywords: general relativity, exact solutions, spherical symmetry, galaxy, kinematics and dynamics, dark matter

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Authors: C. Malça, N. Alves, A. Mateus

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This work was one of the tasks of the Manufacturing2Client project, whose objective was to develop a frontal deflector to be commercialized in the automotive industry, using new project and manufacturing methods. In this task, in particular, it was proposed to develop the ability to predict computationally the aerodynamic influence of flow in vehicles, in an effort to reduce fuel consumption in vehicles from class 3 to 8. With this aim, two deflector models were developed and their aerodynamic performance analyzed. The aerodynamic study was done using the Computational Fluid Dynamics (CFD) software Ansys CFX and allowed the calculation of the drag coefficient caused by the vehicle motion for the different configurations considered. Moreover, the reduction of diesel consumption and carbon dioxide (CO2) emissions associated with the optimized deflector geometry could be assessed.

Keywords: erodynamic analysis, CFD, CO2 emissions, drag coefficient, frontal deflector, fuel consumption

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Authors: Rafat Alshorman, Fadi Awawdeh

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By employing a simplified bilinear method, a class of generalized fifth-order KdV (gfKdV) equations which arise in nonlinear lattice, plasma physics and ocean dynamics are investigated. With the aid of symbolic computation, both solitary wave solutions and multiple-soliton solutions are obtained. These new exact solutions will extend previous results and help us explain the properties of nonlinear solitary waves in many physical models in shallow water. Parametric analysis is carried out in order to illustrate that the soliton amplitude, width and velocity are affected by the coefficient parameters in the equation.

Keywords: multiple soliton solutions, fifth-order evolution equations, Cole-Hopf transformation, Hirota bilinear method

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Authors: Umar Hayat, Shahid Ali, Lala Rukh

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Foreign aid is one of the critical variables that promote economic growth. This paper is an attempt to examine the long-run relationship between foreign aid and economic growth for Pakistan over the period of 1972 to 2021. This study uses Johnson's co-integration technique to investigate the long-run relationship among the variables in the model. For short-run dynamics, we utilized the Error Correction Mechanism (ECM). The results strongly support the conventional view about aid-led growth. The analysis of the impact of aid on growth both at the micro and the macro levels generally gives different results. The result shows that in the short run inference of foreign aid under the nondemocratic form of government is significant negatively, while foreign aid does not affect economic growth in the case of democratic government.

Keywords: foreign aid, economic growth, political regimes, developing economy

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Authors: Rajesh Agarwal

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Carrier mobility at the organic/insulator interface is essential to the performance of organic thin film transistors (OTFT). The present work describes estimation of field dependent mobility (FDM) parameters and the threshold voltage of an OTFT using a simple, easy to fabricate two terminal asymmetric capacitive test structure using admittance measurements. Conventionally, transfer characteristics are used to estimate the threshold voltage in an OTFT with field independent mobility (FIDM). Yet, this technique breaks down to give accurate results for devices with high contact resistance and having field dependent mobility. In this work, a new technique is presented for characterization of long channel organic capacitor (LCOC). The proposed technique helps in the accurate estimation of mobility enhancement factor (γ), the threshold voltage (V_th) and band mobility (µ₀) using capacitance-voltage (C-V) measurement in OTFT. This technique also helps to get rid of making short channel OTFT or metal-insulator-metal (MIM) structures for making C-V measurements. To understand the behavior of devices and ease of analysis, transmission line compact model is developed. The 2-D numerical simulation was carried out to illustrate the correctness of the model. Results show that proposed technique estimates device parameters accurately even in the presence of contact resistance and field dependent mobility. Pentacene/Poly (4-vinyl phenol) based top contact bottom-gate OTFT’s are fabricated to illustrate the operation and advantages of the proposed technique. Small signal of frequency varying from 1 kHz to 5 kHz and gate potential ranging from +40 V to -40 V have been applied to the devices for measurement.

Keywords: capacitance, mobility, organic, thin film transistor

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Authors: Marianne Miguet, Gaël Plantard, Yves Jaeger, Vincent Goetz

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The contamination of groundwater is a major concern. A common pollutant, the perchloroethylene, is the target contaminant. Water treatment process as Granular Activated Carbons are very efficient but requires pilot-scale testing to determine the full-scale GAC performance. First, the batch mode was used to get a reliable experimental method to estimate the adsorption capacity of a common volatile compound is settled. The Langmuir model is acceptable to fit the isotherms. Dynamic tests were performed with three columns and different operating conditions. A database of concentration profiles and breakthroughs were obtained. The resolution of the set of differential equations is acceptable to fit the dynamics tests and could be used for a full-scale adsorber.

Keywords: activated carbon, groundwater, perchloroethylene, full-scale

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Authors: Eunice Christabel Chukwu

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Introduction: Diabetes is a chronic medical condition which is characterized by high levels of glucose in the blood and urine; it is usually diagnosed by means of a glucose tolerance test (GTT). Diabetes can cause a range of health problems if left unmanaged, as it can lead to serious complications. It is essential to manage the condition effectively, particularly in the workplace where the impact on work productivity can be significant. This paper discusses the modelling of optimal control of diabetes in the workplace using a control theory approach. Background: Diabetes mellitus is a condition caused by too much glucose in the blood. Insulin, a hormone produced by the pancreas, controls the blood sugar level by regulating the production and storage of glucose. In diabetes, there may be a decrease in the body’s ability to respond to insulin or a decrease in insulin produced by the pancreas which will lead to abnormalities in the metabolism of carbohydrates, proteins, and fats. In addition to the health implications, the condition can also have a significant impact on work productivity, as employees with uncontrolled diabetes are at risk of absenteeism, reduced performance, and increased healthcare costs. While several interventions are available to manage diabetes, the most effective approach is to control blood glucose levels through a combination of lifestyle modifications and medication. Methodology: The control theory approach involves modelling the dynamics of the system and designing a controller that can regulate the system to achieve optimal performance. In the case of diabetes, the system dynamics can be modelled using a mathematical model that describes the relationship between insulin, glucose, and other variables. The controller can then be designed to regulate the glucose levels to maintain them within a healthy range. Results: The modelling of optimal control of diabetes in the workplace using a control theory approach has shown promising results. The model has been able to predict the optimal dose of insulin required to maintain glucose levels within a healthy range, taking into account the individual’s lifestyle, medication regimen, and other relevant factors. The approach has also been used to design interventions that can improve diabetes management in the workplace, such as regular glucose monitoring and education programs. Conclusion: The modelling of optimal control of diabetes in the workplace using a control theory approach has significant potential to improve diabetes management and work productivity. By using a mathematical model and a controller to regulate glucose levels, the approach can help individuals with diabetes to achieve optimal health outcomes while minimizing the impact of the condition on their work performance. Further research is needed to validate the model and develop interventions that can be implemented in the workplace.

Keywords: mathematical model, blood, insulin, pancreas, model, glucose

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Authors: Sinwook Park, Gilad Yossifon

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The presence of a floating electrode array located within the depletion layer formed due to concentration-polarization (CP) across a microchannel-membrane device, produces not only induced-charge electro-osmosis (ICEO) vortex and but also a bipolar current resulting from faradaic reactions. It has been shown that there exists an optimal SiO2 layer thickness of ~50nm which is sufficient to suppress bipolar currents (at least up to 5V applied voltage) but still enables ICEO vortices that stir the depletion layer, thereby affecting its I-V response. This effect is pronounced beyond the limiting current where the existence of the depletion layer results in increased local electric field due to decreased solution conductivity. This comprehensive study of the interaction of embedded electrodes with the induced CP in microchannel-perm selective medium systems, allows one to choose the thickness of the thin dielectric coating to either enhance the mixing as a means to control the diffuse layer, or suppress it, for example, in the case where electrodes are intended for local measurements of the solution conductivity with minimal invasion. In addition, the use of alternating-current electro-osmosis by activating electrodes results in further enhancement of the fluid stirring and opens new routes for on-demand spatiotemporal control of the CP length. In addition, the use of embedded heaters within the depletion layer generates electro-thermal vortices that in turn also control the CP length.

Keywords: AC electrokinetics, microchannel, concentration-polarization, bipolar current

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Authors: Young Hee Geum

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In this paper,we develop the complex dynamics of a family of optimal fourth-order multiple-root solvers and plot their basins of attraction. Mobius conjugacy maps and extraneous fixed points applied to a prototype quadratic polynomial raised to the power of the known integer multiplicity m are investigated. A 300 x 300 uniform grid centered at the origin covering 3 x 3 square region is chosen to visualize the initial values on each basin of attraction in accordance with a coloring scheme based on their dynamical behavior. The illustrative basins of attractions applied to various test polynomials and the corresponding statistical data for convergence are shown to confirm the theoretical convergence.

Keywords: basin of attraction, conjugacy, fourth-order, multiple-root finder

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Authors: E. O. Clarke, O. J. Aderinola, O. A. Adeboyejo, M. A. Anetekhai

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Aims: The study is aimed at establishing the influence of some physical and chemical parameters on the abundance, distribution pattern and seasonal variations of the planktonic crustacean populations. Place and Duration of Study: A premier investigation into the dynamics of planktonic crustacean populations in Ologe lagoon was carried out from January 2011 to December 2012. Study Design: The study covered identification, temporal abundance, spatial distribution and diversity of the planktonic crustacea. Methodology: Standard techniques were used to collect samples from eleven stations covering five proximal satellite towns (Idoluwo, Oto, Ibiye, Obele, and Gbanko) bordering the lagoon. Data obtained were statistically analyzed using linear regression and hierarchical clustering. Results:Thirteen (13) planktonic crustacean populations were identified. Total percentage abundance was highest for Bosmina species (20%) and lowest for Polyphemus species (0.8%). The Pearson’s correlation coefficient (“r” values) between total planktonic crustacean population and some physical and chemical parameters showed that positive correlations having low level of significance occurred with salinity (r = 0.042) (sig = 0.184) and with surface water dissolved oxygen (r = 0.299) (sig = 0.155). Linear regression plots indicated that, the total population of planktonic crustacea were mainly influenced and only increased with an increase in value of surface water temperature (Rsq = 0.791) and conductivity (Rsq = 0.589). The total population of planktonic crustacea had a near neutral (zero correlation) with the surface water dissolved oxygen and thus, does not significantly change with the level of the surface water dissolved oxygen. The correlations were positive with NO3-N (midstream) at Ibiye (Rsq =0.022) and (downstream) Gbanko (Rsq =0.013), PO4-P at Ibiye (Rsq =0.258), K at Idoluwo (Rsq =0.295) and SO4-S at Oto (Rsq = 0.094) and Gbanko (Rsq = 0.457). The Berger-Parker Dominance Index (BPDI) showed that the most dominant species was Bosmina species (BPDI = 1.000), followed by Calanus species (BPDI = 1.254). Clusters by squared Euclidan distances using average linkage between groups showed proximities, transcending the borders of genera. Conclusion: The results revealed that planktonic crustacean population in Ologe lagoon undergo seasonal perturbations, were highly influenced by nutrient, metal and organic matter inputs from river Owoh, Agbara industrial estate and surrounding farmlands and were patchy in spatial distribution.

Keywords: diversity, dominance, perturbations, richness, crustacea, lagoon

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Authors: An-Shik Yang, Chiang-Ho Cheng, Jen-Hao Wu, Yu-Hsuan Juan

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Natural ventilation has played an important role for many low energy-building designs. It has been also noticed as a essential subject to persistently bring the fresh cool air from the outside into a building. This study carried out the computational fluid dynamics (CFD)-based simulations to examine the natural ventilation development of a work area in a public building. The simulated results can be useful to better understand the indoor microclimate and the interaction of wind with buildings. Besides, this CFD simulation procedure can serve as an effective analysis tool to characterize the airing performance, and thereby optimize the building ventilation for strengthening the architects, planners and other decision makers on improving the natural ventilation design of public buildings.

Keywords: CFD simulations, natural ventilation, microclimate, wind environment

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Authors: Sanjeeb Sutradhar, Archita Patnaik

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Histidine is one of the twenty-two naturally occurring essential amino acids exhibiting two conformations, L-histidine and D-histidine. D-Histidine is biologically inert, while L-histidine is bioactive because of its conversion to neurotransmitter or neuromodulator histamine in both brain as well as central nervous system. The deficiency of L-histidine causes serious diseases like Parkinson’s disease, epilepsy and the failure of normal erythropoiesis development. Gold nanocomposites are attractive materials due to their excellent biocompatibility and are easy to adsorb on the electrode surface. In the present investigation, hydrophobic fullerene-C60 was functionalized with homocysteine via nucleophilic addition reaction to make it hydrophilic and to successively make the nanocomposite with in-situ prepared gold nanoparticles with ascorbic acid as reducing agent. The electronic structure calculations of the AuNPs@Hcys-C60 nanocomposite showed a drastic reduction of HOMO-LUMO gap compared to the corresponding molecules of interest, indicating enhanced electron transportability to the electrode surface. In addition, the electrostatic potential map of the nanocomposite showed the charge was distributed over either end of the nanocomposite, evidencing faster direct electron transfer from nanocomposite to the electrode surface. This nanocomposite showed catalytic activity; the nanocomposite modified glassy carbon electrode showed a tenfold higher kₑt, the electron transfer rate constant than the bare glassy carbon electrode. Significant improvement in its sensing behavior by square wave voltammetry was noted.

Keywords: fullerene-C60, gold nanocomposites, L-Histidine, square wave voltammetry

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Authors: Vinay Kumar Vanjakula, Frank Adam, Nils Goseberg, Christian Windt

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When a structure is installed on a seabed, the presence of the structure will influence the flow field around it. The changes in the flow field include, formation of vortices, turbulence generation, waves or currents flow breaking and pressure differentials around the seabed sediment. These changes allow the local seabed sediment to be carried off and results in Scour (erosion). These are a threat to the structure's stability. In recent decades, rapid developments of research work and the knowledge of scour On fixed structures (bridges and Monopiles) in rivers and oceans has been carried out, and very limited research work on scour and liquefaction for gravity anchors, particularly for floating Tension Leg Platform (TLP) substructures. Due to its importance and need for enhancement of knowledge in scour and liquefaction around marine structures, the MarTERA funded a three-year (2020-2023) research program called NuLIMAS (Numerical Modeling of Liquefaction Around Marine Structures). It’s a group consists of European institutions (Universities, laboratories, and consulting companies). The objective of this study is to build a numerical model that replicates the reality, which indeed helps to simulate (predict) underwater flow conditions and to study different marine scour and Liquefication situations. It helps to design a heavyweight anchor for the TLP substructure and to minimize the time and expenditure on experiments. And also, the achieved results and the numerical model will be a basis for the development of other design and concepts For marine structures. The Computational Fluid Dynamics (CFD) numerical model will build in OpenFOAM. A conceptual design of heavyweight anchor for TLP substructure is designed through taking considerations of available state-of-the-art knowledge on scour and Liquefication concepts and references to Previous existing designs. These conceptual designs are validated with the available similar experimental benchmark data and also with the CFD numerical benchmark standards (CFD quality assurance study). CFD optimization model/tool is designed as to minimize the effect of fluid flow, scour, and Liquefication. A parameterized model is also developed to automate the calculation process to reduce user interactions. The parameters such as anchor Lowering Process, flow optimized outer contours, seabed interaction study, and FSSI (Fluid-Structure-Seabed Interactions) are investigated and used to carve the model as to build an optimized anchor.

Keywords: gravity anchor, liquefaction, scour, computational fluid dynamics

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Authors: Aswathi Thrivikraman, S. Advaith

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The study is aimed at designing encoders for deciphering intricacies in time series data by redescribing the dynamics operating on a lower-dimensional manifold. A semi-supervised LSTM autoencoder is devised and investigated to see if the latent representation of the time series data can better forecast the data. End-to-end training of the LSTM autoencoder, together with another LSTM network that is connected to the latent space, forces the hidden states of the encoder to represent the most meaningful latent variables relevant for forecasting. Furthermore, the study compares the predictions with those of a traditional seq2seq model.

Keywords: LSTM, autoencoder, forecasting, seq2seq model

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Authors: Kumbharkhane Ashok

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The time domain dielectric relaxation spectroscopy (TDRS) probes the interaction of a macroscopic sample with a time-dependent electrical field. The resulting complex permittivity spectrum, characterizes amplitude (voltage) and time scale of the charge-density fluctuations within the sample. These fluctuations may arise from the reorientation of the permanent dipole moments of individual molecules or from the rotation of dipolar moieties in flexible molecules, like polymers. The time scale of these fluctuations depends on the sample and its relative relaxation mechanism. Relaxation times range from some picoseconds in low viscosity liquids to hours in glasses, Therefore the DRS technique covers an extensive dynamical process, its corresponding frequency range from 10-4 Hz to 1012 Hz. This inherent ability to monitor the cooperative motion of molecular ensemble distinguishes dielectric relaxation from methods like NMR or Raman spectroscopy which yield information on the motions of individual molecules. An experimental set up for Time Domain Reflectometry (TDR) technique from 10 MHz to 30 GHz has been developed for the aqueous solutions. This technique has been very simple and covers a wide band of frequencies in the single measurement. Dielectric Relaxation Spectroscopy is especially sensitive to intermolecular interactions. The complex permittivity spectra of aqueous solutions have been fitted using Cole-Davidson (CD) model to determine static dielectric constants and relaxation times for entire concentrations. The heterogeneous molecular interactions in aqueous solutions have been discussed through Kirkwood correlation factor and excess properties.

Keywords: liquid, aqueous solutions, time domain reflectometry

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Authors: Aziz Sezgin, Yuksel Hacioglu, Nurkan Yagiz

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Sliding mode controller for a vehicle active suspension system is designed in this study. The widely used quarter car model is preferred and it is aimed to improve the ride comfort of the passengers. The effect of the actuator time delay, which may arise due to the information processing, sensors or actuator dynamics, is also taken into account during the design of the controller. A sliding mode controller was designed that has taken into account the actuator time delay by using Smith predictor. The successful performance of the designed controller is confirmed via numerical results.

Keywords: sliding mode control, active suspension system, actuator, time delay, vehicle

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Authors: Sepehr Lajevardi Esfahani, Shohre Rouhani, Zahra Ranjbar

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Graphene has gained much attention owing to its unique optical and electrical properties. Charge carriers in graphene sheets (GS) carry out a linear dispersion relation near the Fermi energy and behave as massless Dirac fermions resulting in unusual attributes such as the quantum Hall effect and ambipolar electric field effect. It also exhibits nondispersive transport characteristics with an extremely high electron mobility (15000 cm²/(Vs)) at room temperature. Recently, several progresses have been achieved in the fabrication of single- or multilayer GS for functional device applications in the fields of optoelectronic such as field-effect transistors ultrasensitive sensors and organic photovoltaic cells. In addition to device applications, graphene also can serve as reinforcement to enhance mechanical, thermal, or electrical properties of composite materials. Electrophoretic deposition (EPD) is an attractive method for development of various coatings and films. It readily applied to any powdered solid that forms a stable suspension. The deposition parameters were controlled in various thicknesses. In this study, the graphene electrodeposition conditions were optimized. The results were obtained from SEM, Ohm resistance measuring technique and AFM characteristic tests. The minimum sheet resistance of electrodeposited reduced graphene oxide layers is achieved at conditions of 2 V in 10 s and it is annealed at 200 °C for 1 minute.

Keywords: electrophoretic deposition (EPD), graphene oxide (GO), electrical conductivity, electro-optical devices

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Authors: Fernanda Pinheiro Martins, Pedro Teixeira Lacava

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The objective of this research is to analyze the effects of different spark plug conditions in engine-like conditions by applying computational fluid dynamics analysis. The 3D models applied consist of 3-Zones Extended Coherent Flame (ECFM-3Z) and Imposed Stretch Spark Ignition Model (ISSIM), respectively, for the combustion and the spark plug modelling. For this study, it was applied direct injection fuel system in a single cylinder engine operating with E0. The application of realistic operating conditions (load and speed) to the different cases studied will provide a deeper understanding of the effects of the spark plug gap, a result of parts outwearing in most of the cases, to the development of the combustion in engine-like conditions.

Keywords: engine, CFD, direct injection, combustion, spark plug

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Authors: Bruno Vicente, Sandra Rafael, Vera Rodrigues, Sandra Sorte, Sara Silva, Ana Isabel Miranda, Carlos Borrego

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Wind comfort for pedestrians is an important condition in urban areas. In Portugal, a country with 900 km of coastline, the wind direction are predominantly from Nor-Northwest with an average speed of 2.3 m·s -1 (at 2 m height). As a result, a set of city authorities have been requesting studies of pedestrian wind comfort for new urban areas/buildings, as well as to mitigate wind discomfort issues related to existing structures. This work covers the efficiency evaluation of a set of measures to reduce the wind speed in an outdoor auditorium (open space) located in a coastal Portuguese urban area. These measures include the construction of barriers, placed at upstream and downstream of the auditorium, and the planting of trees, placed upstream of the auditorium. The auditorium is constructed in the form of a porch, aligned with North direction, driving the wind flow within the auditorium, promoting channelling effects and increasing its speed, causing discomfort in the users of this structure. To perform the wind comfort assessment, two approaches were used: i) a set of experiments using the wind tunnel (physical approach), with a representative mock-up of the study area; ii) application of the CFD (Computational Fluid Dynamics) model VADIS (numerical approach). Both approaches were used to simulate the baseline scenario and the scenarios considering a set of measures. The physical approach was conducted through a quantitative method, using hot-wire anemometer, and through a qualitative analysis (visualizations), using the laser technology and a fog machine. Both numerical and physical approaches were performed for three different velocities (2, 4 and 6 m·s-1 ) and two different directions (NorNorthwest and South), corresponding to the prevailing wind speed and direction of the study area. The numerical results show an effective reduction (with a maximum value of 80%) of the wind speed inside the auditorium, through the application of the proposed measures. A wind speed reduction in a range of 20% to 40% was obtained around the audience area, for a wind direction from Nor-Northwest. For southern winds, in the audience zone, the wind speed was reduced from 60% to 80%. Despite of that, for southern winds, the design of the barriers generated additional hot spots (high wind speed), namely, in the entrance to the auditorium. Thus, a changing in the location of the entrance would minimize these effects. The results obtained in the wind tunnel compared well with the numerical data, also revealing the high efficiency of the purposed measures (for both wind directions).

Keywords: urban microclimate, pedestrian comfort, numerical modelling, wind tunnel experiments

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Authors: Feng Wang, Vladislav Vasilyev

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Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.

Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene

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Authors: Mustafa Ekici

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Natural convection is a basic process which is important in a wide variety of practical applications. In essence, a heated fluid expands and rises from buoyancy due to decreased density. Numerous papers have been written on natural or mixed convection in vertical ducts heated on the side. These equations have been proved to be valuable tools for the modelling of many phenomena such as fluid dynamics. Finding solutions to such equations or system of equations are in general not an easy task. We propose a method, which is called differential transform method, of solving a non-linear equations and compare the results with some of the other techniques. Illustrative examples shows that the results are in good agreement.

Keywords: differential transform method, momentum, energy equation, boundry value problem

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Authors: Xiaoting Jing, Ling Huang

Abstract:

After the reform and opening up, Chongqing has formed far more high-rise residential areas than other cities in its more than 40 years of urban construction. High-rise residential areas have become one of the main modern living models in Chongqing and an important carrier reflecting the city's high quality of life. Reviewing the construction process and renewal work helps understand the characteristics of high-rise residential areas in Chongqing at different stages, clarify current development demands, and look forward to the focus of future renewal work. Based on socio-economic development and policy background, the article sorts the construction process of high-rise residential areas in Chongqing into four stages: the early experimental construction period of high-rise residential areas (1978-1996), the rapid start-up period of high-rise commodity housing construction (1997-2006), the large-scale construction period of high-rise commodity housing and public rental housing (2007-2014), and the period of renewal and renovation of high-rise residential areas and step-by-step construction of quality commodity housing (2015-present). Based on the construction demands and main construction types of each stage, the article summarizes that the construction of high-rise residential areas in Chongqing features large scale, high speed, and high density. It points out that a large number of high-rise residential areas built after 2000 will become important objects of renewal and renovation in the future. Based on existing renewal work experience, it is urgent to explore a path for sustainable renewal and development in terms of policy mechanisms, digital supervision, and renewal and renovation models, leading the high-rise living in Chongqing toward high-quality development.

Keywords: high-rise residential areas, construction process, renewal and renovation, Chongqing

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Authors: Iftikhar Hussain, Muhammad Ahmad, Xi Chen, Li Yuxiang

Abstract:

Transition metal phosphides and phosphates are newly emerged electrode material candidates in energy storage devices. For the first time, we report uniformly distributed, interconnected, and well-aligned two-dimensional nanosheets made from trimetallic Zn-Co-Ga phosphate (ZCGP) electrode materials with preserved crystal phase. It is found that the ZCGP electrode material exhibits about 2.85 and 1.66 times higher specific capacity than mono- and bimetallic phosphate electrode materials at the same current density. The trimetallic ZCGP electrode exhibits superior conductivity, lower internal resistance (IR) drop, and high Coulombic efficiency compared to mono- and bimetallic phosphate. The charge storage mechanism is studied for mono- bi- and trimetallic electrode materials, which illustrate the diffusion-dominated battery-type behavior. By means of density functional theory (DFT) calculations, ZCGP shows superior metallic conductivity due to the modified exchange splitting originating from 3d-orbitals of Co atoms in the presence of Zn and Ga. Moreover, a hybrid supercapacitor (ZCGP//rGO) device is engineered, which delivered a high energy density (ED) of 40 W h kg⁻¹ and a high-power density (PD) of 7,745 W kg⁻¹, lighting 5 different colors of light emitting diodes (LEDs). These outstanding results confirm the promising battery-type electrode materials for energy storage applications.

Keywords: trimetallic phosphate, nanosheets, DFT calculations, hybrid supercapacitor, binder-free, synergistic effect

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Authors: Tabitha Mberi, Tirus Wanyoike, Joseph Sevilla

Abstract:

The use of Information and Communication Technology (ICT) in Government is gradually becoming a major requirement to transform delivery of services to its stakeholders by improving quality of service and efficiency. In Kenya, the devolvement of government from local authorities to county governments has resulted in many counties adopting online revenue collection systems which can be easily accessed by its stakeholders. Strathmore Research and Consortium Centre (SRCC) implemented a revenue collection system in Taita Taveta, a County in coastal Kenya. It consisted of two systems that are integrated; an online system dubbed “CountyPro” for processing county services such as Business Permit applications, General Billing, Property Rates Payments and any other revenue streams from the county. The second part was a Point of Sale(PoS) system used by the county revenue collectors to charge for market fees and vehicle parking fees. This study assesses the success and challenges in adoption of the integrated system. Qualitative and quantitative data collection methods were used to collect data on the adoption of the system with the researcher using focus groups, interviews, and questionnaires to collect data from various users of the system An analysis was carried out and revealed that 87% of the county revenue officers who are situated in county offices describe the system as efficient and has made their work easier in terms of processing of transactions for customers.

Keywords: e-government, counties, information technology, online system, point of sale

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Authors: Paul Stonaha, Mariia Romashchenko, Xaio Xu

Abstract:

Magnetic shape memory alloys (MSMAs) are promising technological materials for a range of fields, from biomaterials to energy harvesting. We have performed inelastic neutron scattering on two powder samples of cobalt-based high-entropy MSMAs across a range of temperatures in an effort to compare calculations of thermodynamic properties (entropy, specific heat, etc.) to the measured ones. The measurements were correct for multiphonon scattering and multiple scattering contributions. We present herein the neutron-weighted vibrational density of states. Future work will utilize DFT calculations of the disordered lattice to correct for the neutron weighting and retrieve the true thermodynamical properties.

Keywords: neutron scattering, vibrational dynamics, computational physics, material science

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Authors: Ubeyd Toçoğlu, Miraç Alaf, Hatem Akbulut

Abstract:

We present a work which was conducted in order to improve the cycle life of silicon based lithium ion battery anodes by utilizing novel composite structure. In this study, carbon coated nano sized (50-100 nm) silicon particles were embedded into Graphene/MWCNT silicon matrix to produce free standing silicon based electrodes. Also, conventional Si powder anodes were produced from Si powder slurry on copper current collectors in order to make comparison of composite and conventional anode structures. Free –standing composite anodes (binder-free) were produced via vacuum filtration from a well dispersion of Graphene, MWCNT and carbon coated silicon powders. Carbon coating process of silicon powders was carried out via microwave reaction system. The certain amount of silicon powder and glucose was mixed under ultrasonication and then coating was conducted at 200 °C for two hours in Teflon lined autoclave reaction chamber. Graphene which was used in this study was synthesized from well-known Hummers method and hydrazine reduction of graphene oxide. X-Ray diffraction analysis and RAMAN spectroscopy techniques were used for phase characterization of anodes. Scanning electron microscopy analyses were conducted for morphological characterization. The electrochemical performance tests were carried out by means of galvanostatic charge/discharge, cyclic voltammetry and electrochemical impedance spectroscopy.

Keywords: graphene, Li-Ion, MWCNT, silicon

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Authors: Yanhua Zhao, Yu Gou, Shu Feng, Dongdong Li, Chuanmin Tao

Abstract:

The natural history of HBV infection could experience immune tolerant (IT), immune clearance (IC), HBeAg-negative inactive/quienscent carrier (ENQ), and HBeAg-negative hepatitis (ENH). As current biomarkers for discriminating these four phases have some weaknesses, additional serological indicators are needed. Hepatits B core-related antigen (HBcrAg) encoded with precore/core gene contains denatured HBeAg, HBV core antigen (HBcAg) and a 22KDa precore protein (p22cr), which was demonstrated to have a close association with natural history of hepatitis B infection, but no specific cutoff values and diagnostic parameters to evaluate the diagnostic efficacy. This study aimed to clarify the distribution of HBcrAg levels and evaluate its diagnostic performance during the natural history of infection from a Western Chinese perspective. 294 samples collected from treatment-naïve chronic hepatitis B (CHB) patients in different phases (IT=64; IC=72; ENQ=100, and ENH=58). We detected the HBcrAg values and analyzed the relationship between HBcrAg and HBV DNA. HBsAg and other clinical parameters were quantitatively tested. HBcrAg levels of four phases were 9.30 log U/mL, 8.80 log U/mL, 3.00 log U/mL, and 5.10 logU/mL, respectively (p < 0.0001). Receiver operating characteristic curve analysis demonstrated that the area under curves (AUCs) of HBcrAg and quantitative HBsAg at cutoff values of 9.25 log U/mL and 4.355 log IU/mL for distinguishing IT from IC phases were 0.704 and 0.694, with sensitivity 76.39% and 59.72%, specificity 53.13% and 79.69%, respectively. AUCs of HBcrAg and quantitative HBsAg at cutoff values of 4.15 log U/mlmL and 2.395 log IU/mlmL for discriminating between ENQ and ENH phases were 0.931 and 0.653, with sensitivity 87.93% and 84%, specificity 91.38% and 39%, respectively. Therefore, HBcrAg levels varied significantly among four natural phases of HBV infection. It had higher predictive performance than quantitative HBsAg for distinguishing between ENQ-patients and ENH-patients and similar performance with HBsAg for the discrimination between IT and IC phases, which indicated that HBcrAg could be a potential serological marker for CHB.

Keywords: chronic hepatitis B, hepatitis B core-related antigen, hepatitis B surface antigens, hepatitis B virus

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