Search results for: quantum chemical calculation

Authors: Bruna G. M. Araújo, Pedro M. M. Q. Cruz

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In this letter, we review the literature of the major concepts that govern Gaussian quantum information. As we work with quantum information and computation with continuous variables, Gaussian states are needed to better describe these systems. Analyzing a single ion locked in a Paul trap we use the interaction picture to obtain a toolbox of Gaussian operations with the ion-laser interaction Hamiltionian. This is achieved exciting the ion through the combination of two lasers of distinct frequencies corresponding to different sidebands of the external degrees of freedom. First we study the case of a trap with 1 mode and then the case with 2 modes. In this way, we achieve different continuous variables gates just by changing the external degrees of freedom of the trap and combining the Hamiltonians of blue and red sidebands.

Keywords: Paul trap, ion-laser interaction, Gaussian operations

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Authors: Ahmed Fradi

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Nowadays, recent technological advances in the acquisition, modeling, and processing of three-dimensional (3D) objects data lead to the creation of models stored in huge databases, which are used in various domains such as computer vision, augmented reality, game industry, medicine, CAD (Computer-aided design), 3D printing etc. On the other hand, the industry is currently benefiting from powerful modeling tools enabling designers to easily and quickly produce 3D models. The great ease of acquisition and modeling of 3D objects make possible to create large 3D models databases, then, it becomes difficult to navigate them. Therefore, the indexing of 3D objects appears as a necessary and promising solution to manage this type of data, to extract model information, retrieve an existing model or calculate similarity between 3D objects. The objective of the proposed research is to develop a framework allowing easy and fast access to 3D objects in a CAD models database with specific indexing algorithm to find objects similar to a reference model. Our main objectives are to study existing methods of similarity calculation of 3D objects (essentially shape-based methods) by specifying the characteristics of each method as well as the difference between them, and then we will propose a new approach for indexing and comparing 3D models, which is suitable for our case study and which is based on some previously studied methods. Our proposed approach is finally illustrated by an implementation, and evaluated in a professional context.

Keywords: CAD, 3D object retrieval, shape based retrieval, similarity calculation

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Authors: Muthana Abdul Mjed Jamel Al-gburi

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The present paper introduces the methane-air flame and its main chemical reaction, the mass burning rate, the burning velocity, and the most important parameter, the adiabatic and its evaluation. Those major important flame parameters will be mathematically formulated and computerized using the MATLAB program. The present program established a new technique to decide the true adiabatic flame temperature. The new technique implements the trial and error procedure to obtained the calculated total internal energy of the product species then evaluate of the reactants ones, from both, we can draw two energy lines their intersection will decide the true required temperature. The obtained results show accurate evaluation for the atmospheric Stoichiometric (Φ=1.05) methane-air flame, and the value was 2136.36 K.

Keywords: 1- methane-air flame, 2-, adiabatic flame temperature, 3-, reaction model, 4- matlab program, 5-, new technique

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Authors: P. Joshna, Souvik Kundu

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Detection of ultraviolet (UV) radiation is very important as it has exhibited a profound influence on humankind and other existences, including military equipment. In this work, a self-powered UV photodetector was reported based on oxides heterojunctions. The thin films of p-type nickel oxide (NiO) and n-type reduced graphene oxide (rGO) were used for the formation of p-n heterojunction. Low-Cost and low-temperature chemical synthesis was utilized to prepare the oxides, and the spin coating technique was employed to deposit those onto indium doped tin oxide (ITO) coated glass substrates. The top electrode platinum was deposited utilizing physical vapor evaporation technique. NiO offers strong UV absorption with high hole mobility, and rGO prevents the recombination rate by separating electrons out from the photogenerated carriers. Several structural characterizations such as x-ray diffraction, atomic force microscope, scanning electron microscope were used to study the materials crystallinity, microstructures, and surface roughness. On one side, the oxides were found to be polycrystalline in nature, and no secondary phases were present. On the other side, surface roughness was found to be low with no pit holes, which depicts the formation of high-quality oxides thin films. Whereas, x-ray photoelectron spectroscopy was employed to study the chemical compositions and oxidation structures. The electrical characterizations such as current-voltage and current response were also performed on the device to determine the responsivity, detectivity, and external quantum efficiency under dark and UV illumination. This p-n heterojunction device offered faster photoresponse and high on-off ratio under 365 nm UV light illumination of zero bias. The device based on the proposed architecture shows the efficacy of the oxides heterojunction for efficient UV photodetection under zero bias, which opens up a new path towards the development of self-powered photodetector for environment and health monitoring sector.

Keywords: chemical synthesis, oxides, photodetectors, spin coating

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Authors: Kunihisa Kakumoto

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Purpose: The global environmental problem is now raised in the global dimension. The sprawl phenomenon over the natural limitation is to be made a forecast beforehand in an algorithmic way so that the condition of our social life can hopefully be protected under the natural limitation. The sustainable condition in the globe is now to be found to keep the balance between the capacity of nature and the possibility of our social lives. The amount of water on the earth is limited. Therefore, on the reason, sustainable conditions are strongly dependent on the capacity of water. The amount of water can be considered in relation to the area of the green planting because a certain volume of the water can be obtained in the forest, where the green planting can be preserved. We can find the sustainable conditions of the water in relation to the green planting area. The reduction of CO₂ by green planting is also possible. Possible Measure and the Methods: Until now, by the opportunity of many international conferences, the concept of the solar community as one prototype has been introduced by technical papers. The algorithmic trial calculation on the basic concept of the solar community can be taken into consideration. The concept of the solar community is based on the collected data of the solar model house. According to the algorithmic results of the prototype, the simulation work in the globe can be performed as the algorithmic conversion results. This algorithmic study can be simulated by the amount of water, also in relation to the green planting area. Additionally, the submission of CO₂ in the solar community and the reduction of CO₂ by green planting can be calculated. On the base of these calculations in the solar community, the sustainable conditions on the globe can be simulated as the conversion results in an algorithmic way. The digital formation in the solar community can also be taken into consideration by this opportunity. Conclusion: For the finding of sustainable conditions around the globe, the solar community as one prototype has been taken into consideration. The role of the water is very important because the capacity of the water supply is very limited. But, at present, the cycle of the social community is not composed by the point of the natural mechanism. The simulative calculation of this study can be shown by the limitation of the total water supply. According to this process, the total capacity of the water supply and the capable residential number of the population and the areas can be taken into consideration by the algorithmic calculation. For keeping enough water, the green planting areas are very important. The planting area is also very important to keep the balance of CO₂. The simulative calculation can be performed by the relation between the submission and the reduction of CO₂ in the solar community. For the finding of this total balance and the sustainable conditions, the green planting area and the total amount of water can be recognized by the algorithmic simulative calculation. The study for the finding of sustainable conditions can be performed by the simulative calculations on the algorithmic model in the solar community as one prototype. The example of one prototype can be in balance. The activity of the social life must be in the capacity of the natural mechanism. The capable capacity of the natural environment in our world is very limited.

Keywords: the solar community, the sustainable condition, the natural limitation, the algorithmic calculation

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Authors: Slimane Souag, Amel Graa, Farid Benhamida

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In this paper we present a new method for solving the secured power flow problem by the economic dispatch using DC power flow method and Generation Shift Distribution Factor (GSDF), in this work we create a graphical interface in LabVIEW as a virtual instrument. Hence the dc power flow reduces the power flow problem to a set of linear equations, which make the iterative calculation very fast and the GSFD matrix present the effects of single and multiple generator MW change on the transmission line. The effectiveness of the method developed is identified through its application to an IEEE-14 bus test system. The calculation results show excellent performance of the proposed method, in regard to computation time and quality of results.

Keywords: electrical power system security, economic dispatch, sensitivity matrix, labview

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Authors: Mohamed Shalaby, Yasser Kamal, Negm Shawky

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Mutually unbiased bases (MUBs) have an important role in the field of quantum computation and information. A complete set of these bases can be constructed when the system dimension is the power of the prime. Constructing such complete set in composite dimensions is still an open problem. Recently, the concept of weak mutually unbiased bases (WMUBs) in composite dimensions was introduced. A complete set of such bases can be constructed by combining the MUBs in each subsystem. In this paper, we present a comparative study between MUBs and WMUBs in the context of complex projective t-design. Explicit proofs are presented.

Keywords: complex projective t-design, finite quantum systems, mutually unbiased bases, weak mutually unbiased bases

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Authors: Conrad Weber

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The modelling of railway noise over large projects areas can be very time consuming in terms of preparing the noise models and calculation time. An open-source GIS program has been utilised to assist with the modelling of operational noise levels for 675km of railway corridor. A range of GIS algorithms were utilised to break up the noise model area into manageable calculation sizes. GIS was utilised to prepare and filter a range of noise modelling inputs, including building files, land uses and ground terrain. A spreadsheet was utilised to manage the accuracy of key input parameters, including train speeds, train types, curve corrections, bridge corrections and engine notch settings. GIS was utilised to present the final noise modelling results. This paper explains the noise modelling process and how the spreadsheet and GIS were utilised to accurately model this massive project efficiently.

Keywords: noise, modeling, GIS, rail

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Authors: Sertac Arslan, Sezer Kefeli

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In this paper, firstly supercavitating phenomenon and supercavity shape design parameters are explained and then drag force calculation methods of high speed supercavitating torpedoes are investigated with numerical techniques and verified with empirical studies. In order to reach huge speeds such as 200, 300 knots for underwater vehicles, hydrodynamic hull drag force which is proportional to density of water (ρ) and square of speed should be reduced. Conventional heavy weight torpedoes could reach up to ~50 knots by classic underwater hydrodynamic techniques. However, to exceed 50 knots and reach about 200 knots speeds, hydrodynamic viscous forces must be reduced or eliminated completely. This requirement revives supercavitation phenomena that could be implemented to conventional torpedoes. Supercavitation is the use of cavitation effects to create a gas bubble, allowing the torpedo to move at huge speed through the water by being fully developed cavitation bubble. When the torpedo moves in a cavitation envelope due to cavitator in nose section and solid fuel rocket engine in rear section, this kind of torpedoes could be entitled as Supercavitating Torpedoes. There are two types of cavitation; first one is natural cavitation, and second one is ventilated cavitation. In this study, disk cavitator is modeled with natural cavitation and supercavitation phenomenon parameters are studied. Moreover, drag force calculation is performed for disk shape cavitator with numerical techniques and compared via empirical studies. Drag forces are calculated with computational fluid dynamics methods and different empirical methods. Numerical calculation method is developed by comparing with empirical results. In verification study cavitation number (σ), drag coefficient (CD) and drag force (D), cavity wall velocity (U

Keywords: cavity envelope, CFD, high speed underwater vehicles, supercavitation, supercavity flows

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Authors: Zakirul Islam, Yugo Kumokawa, Quoc Thinh Tran, Motoki Kubo

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Clubroot is a disease of cruciferous plant caused by soil born pathogen Plasmodiophora brassicae and can significantly limit the production through rapid spreading. The present study was designed to investigate the effect of cultivation practices (chemical and organic soils) on clubroot disease development in Brassica rapa. Disease index and root bacterial composition were investigated for both chemical and organic soils. The bacterial biomass and diversity in organic soil were higher than those in chemical soil. Disease severity was distinct for two different cultivation methods. The number of endophytic bacteria decreased in the infected root for both soils. The increased number of endophytic bacterial number led to reduce the proliferation of pathogen spore inside the root and thus reduced the disease severity in organic plants.

Keywords: clubroot disease, bacterial biomass, root infection, disease index, chemical cultivation, organic cultivation

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Authors: S. Khan, A. Khan, Abdul R. Soomrani, Raja F. Zafar, A. Waqas, G. Akbar

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This paper proposes a low-complexity image interpolation method. Image interpolation is used to convert a low dimension video/image to high dimension video/image. The objective of a good interpolation method is to upscale an image in such a way that it provides better edge preservation at the cost of very low complexity so that real-time processing of video frames can be made possible. However, low complexity methods tend to provide real-time interpolation at the cost of blurring, jagging and other artifacts due to errors in slope calculation. Non-linear methods, on the other hand, provide better edge preservation, but at the cost of high complexity and hence they can be considered very far from having real-time interpolation. The proposed method is a linear method that uses gradient orientation for slope calculation, unlike conventional linear methods that uses the contrast of nearby pixels. Prewitt edge detection is applied to separate uniform regions and edges. Simple line averaging is applied to unknown uniform regions, whereas unknown edge pixels are interpolated after calculation of slopes using gradient orientations of neighboring known edge pixels. As a post-processing step, bilateral filter is applied to interpolated edge regions in order to enhance the interpolated edges.

Keywords: edge detection, gradient orientation, image upscaling, linear interpolation, slope tracing

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Authors: Mitsunobu Iwasaki, Akifumi Iseda

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Yttrium aluminum garnet doped with cerium (Ⅲ) ions (Y3Al5O12:Ce3+, YAG:Ce3+) has attracted a great attention because it can efficiently convert the blue light into a very broad yellow emission band, which produces white light emitting diodes and is applied for panel displays. To improve the brightness and resolution of the display, a considerable attention has been directed to develop fine phosphor particles. We have prepared YAG:Ce3+ nanophosphors by environmental-friendly wet process. The peak maximum of absorption spectra of surface plasmon of Ag nanopaticles are close to that of the excitation spectra (460 nm) of YAG:Ce3+. It can be expected that Ag nanoparticles supported onto the surface of YAG:Ce3+ (Ag-YAG:Ce3+) enhance the absorption of Ce3+ ions. In this study, we have prepared Ag-YAG:Ce3+ nanophosphors and investigated their photoluminescent properties. YCl3･6H2O and AlCl3･6H2O with a molar ratio of Y:Al=3:5 were dissolved in ethanol (100 ml), and CeCl3•7H2O (0.3 mol%) was further added to the above solution. Then, NaOH (4.6×10-2 mol) dissolved in ethanol (50 ml) was added dropwise to the mixture under reflux over 2 hours, and the solution was further refluxed for 1 hour. After cooling to room temperature, precipitates in the reaction mixture were heated at 673 K for 1 hour. After the calcination, the particles were immersed in AgNO3 solution for 1 hour, followed by sintering at 1123 K for 1 hour. YAG:Ce3+ were confirmed to be nanocrystals with a crystallite size of 50-80 nm in diameter. Ag nanoparticles supported onto YAG:Ce3+ were single nanometers in diameter. The excitation and emission spectra were 454 nm and 539 nm at a maximum wavelength, respectively. The emission intensity was maximum for Ag-YAG:Ce3+ immersed into 0.5 mM AgCl (Ag-YAG:Ce (0.5 mM)). The absorption maximum (461 nm) was increased for Ag-YAG:Ce3+ in comparison with that for YAG:Ce3+, indicating that the absorption was enhanced by the addition of Ag. The external and internal quantum efficiencies became 11.2 % and 36.9 % for Ag-YAG:Ce (0.5 mM), respectively. The emission intensity and absorption maximum of Ag-YAG:Ce (0.5 mM)×n (n=1, 2, 3) were increased with an increase of the number of supporting times (n), respectively. The external and internal quantum efficiencies were increased for the increase of n, respectively. The external quantum efficiency of Ag-YAG:Ce (0.5 mM) (n=3) became twice as large as that of YAG:Ce. In conclusion, Ag nanoparticles supported onto YAG:Ce3+ increased absorption and quantum efficiency. Therefore, the support of Ag nanoparticles enhanced the photoluminescent properties of YAG:Ce3+.

Keywords: plasmon, quantum efficiency, silver nanoparticles, yttrium aluminum garnet

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Authors: Tokuei Sako

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Laser-induced current in a quasi-one-dimensional nanostructure has been studied by a model of a few electrons confined in a 1D electrostatic potential coupled to electrodes at both ends and subjected to a pulsed laser field. The time-propagation of the one- and two-electron wave packets has been calculated by integrating the time-dependent Schrödinger equation directly by the symplectic integrator method with uniform Fourier grid. The temporal behavior of the resultant light-induced current in the studied systems has been discussed with respect to the lifetime of the quasi-bound states formed when the static bias voltage is applied.

Keywords: pulsed laser field, nanowire, electron wave packet, quantum dots, time-dependent Schrödinger equation

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Authors: S. Bennoud, S. Hocine, H. Slme

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Developments in turbine cooling technology play an important role in increasing the thermal efficiency and the power output of recent gas turbines, in particular the turbojets. Advanced turbojets operate at high temperatures to improve thermal efficiency and power output. These temperatures are far above the permissible metal temperatures. Therefore, there is a critical need to cool the blades in order to give theirs a maximum life period for safe operation. The focused objective of this work is to calculate the turbojet performances, as well as the calculation of turbine blades cooling. The developed application able the calculation of turbojet performances to different altitudes in order to find a point of optimal use making possible to maintain the turbine blades at an acceptable maximum temperature and to limit the local variations in temperatures in order to guarantee their integrity during all the lifespan of the engine.

Keywords: brayton cycle, turbine blades cooling, turbojet cycle, turbojet performances

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Authors: Dilip Saikia, Suparna Bhattacharjee, Nirab Adhikary

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In this piece of work, we have presented the synthesis and characterization of CdTe/ZnS core/shell (CS) quantum dots (QD). CS QDs are used as a fluorescence probe to design a simple cost-effective and ultrasensitive sensor for the detection of toxic Hg(II) in an aqueous medium. Mercaptosuccinic acid (MSA) has been used as a capping agent for the synthesis CdTe/ZnS CS QD. Photoluminescence quenching mechanism has been used in the detection experiment of Hg(II). The designed sensing technique shows a remarkably low detection limit of about 1 picomolar (pM). Here, the CS QDs are synthesized by a simple one-pot aqueous method. The synthesized CS QDs are characterized by using advanced diagnostics tools such as UV-vis, Photoluminescence, XRD, FTIR, TEM and Zeta potential analysis. The interaction between CS QDs and the Hg(II) ions results in the quenching of photoluminescence (PL) intensity of QDs, via the mechanism of excited state electron transfer. The proposed mechanism is explained using cyclic voltammetry and zeta potential analysis. The designed sensor is found to be highly selective towards Hg (II) ions. The analysis of the real samples such as drinking water and tap water has been carried out and the CS QDs show remarkably good results. Using this simple sensing method we have designed a prototype low-cost electronic device for the detection of Hg(II) in an aqueous medium. The findings of the experimental results of the designed sensor is crosschecked by using AAS analysis.

Keywords: photoluminescence, quantum dots, quenching, sensor

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Authors: S. Slimani, B. Djellouli

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Novel materials and innovative device structures has become necessary for the future of CMOS. High mobility materials like Ge is a very promising material due to its high mobility and is being considered to replace Si in the channel to achieve higher drive currents and switching speeds .Various approaches to circumvent the scaling limits to benchmark the performance of nanoscale MOSFETS with different channel materials, the optimized structure is simulated within nextnano in order to highlight the quantum effects on DG MOSFETs when Si is replaced by Ge and SiO2 is replaced by ZrO2 and HfO2as the gate dielectric. The results have shown that Ge MOSFET have the highest mobility and high permittivity oxides serve to maintain high drive current. The simulations show significant improvements compared with DGMOSFET using SiO2 gate dielectric and Si channel.

Keywords: high mobility, high-k, quantum effects, SOI-DGMOSFET

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Authors: Bunjirtluk Jintaridth

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Utilization of silicon for sustainable rice cultivation in acid sulfate soils was studied for 2 years. The study was conducted on Rungsit soils in Amphoe Tanyaburi, Pathumtani Province. The objectives of this study were to assess the effect of high quality organic fertilizer in combination with silicon and chemical fertilizer on rice yield, chemical soil properties after using soil amendments, and also to assess the economic return. A Randomized Complete Block Design (RCBD) with 10 treatments and 3 replications were employed. The treatments were as follows: 1) control 2) chemical fertilizer (recommended by Land Development Department, LDD 3) silicon 312 kg/ha 4) high quality organic fertilizer at 1875 kg/ha (the recommendation rate by LDD) 5) silicon 156 kg/ha in combination with high quality organic fertilizer 1875 kg/ha 6) silicon at the 312 kg/ha in combination with high quality organic fertilizer 1875 kg/ha 7) silicon 156 kg/ha in combination with chemical fertilizer 8) silicon at the 312 kg/ha in combination with chemical fertilizer 9) silicon 156 kg/ha in combination with ½ chemical fertilizer rate, and 10) silicon 312 kg/ha in combination with ½ chemical fertilizer rate. The results of 2 years indicated the treatment tended to increase soil pH (from 5.1 to 4.7-5.5), percentage of organic matter (from 2.43 to 2.54 - 2.94%); avail. P (from 7.5 to 7-21 mg kg-1 P; ext. K (from 616 to 451-572 mg kg-1 K), ext Ca (from 1962 to 2042.3-4339.7 mg kg-1 Ca); ext Mg (from 1586 to 808.7-900 mg kg-1 Mg); but decrease the ext. Al (from 2.56 to 0.89-2.54 cmol kg-1 Al. Two years average of rice yield, the highest yield was obtained from silicon 156 kg/ha application in combination with high quality organic fertilizer 300 kg/rai (3770 kg/ha), or using silicon at the 312 kg/ha combination with high quality organic fertilizer 300 kg/rai. (3,750 kg/ha). It was noted that chemical fertilizer application with 156 and 312 kg/ha silicon gave only 3,260 และ 3,133 kg/ha, respectively. On the other hand, half rate of chemical fertilizer with 156 and 312 kg/ha with silicon gave the yield of 2,934 และ 3,218 kg/ha, respectively. While high quality organic fertilizer only can produce 3,318 kg/ha as compare to rice yield of 2,812 kg/ha from control. It was noted that the highest economic return was obtained from chemical fertilizer treated plots (886 dollars/ha). Silicon application at the rate of 156 kg/ha in combination with high quality organic fertilizer 1875 kg/ha gave the economic return of 846 dollars/ha, while 312 kg/ha of silicon with chemical fertilizer gave the lowest economic return (697 dollars/ha).

Keywords: rice, high quality organic fertilizer, acid sulfate soil, silicon

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Authors: Alexander Babin, Leonid Savin

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In the present paper, increasing of energy efficiency of a thrust hybrid bearing with a central feeding chamber is considered. The mathematical model was developed to determine the pressure distribution and the reaction forces, based on the Reynolds equation and static characteristics’ equations. The boundary problem of pressure distribution calculation was solved using the method of finite differences. For various types of lubricants, geometry and operational characteristics, axial gaps can be determined, where the minimal friction coefficient is provided. The next part of the study considers the application of servovalves in order to maintain the desired position of the rotor. The report features the calculation results and the analysis of the influence of the operational and geometric parameters on the energy efficiency of mechatronic fluid-film bearings.

Keywords: active bearings, energy efficiency, mathematical model, mechatronics, thrust multipad bearing

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Authors: Jan Schmidt, Pierre Köhring

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Permanently excited machines are set up with magnets that are made of highly energetic magnetic materials. Inherently, the permanent magnets warm up while the machine is operating. With an increasing temperature, the electromotive force and hence the degree of efficiency decrease. The reasons for this are slot harmonics and distorted armature currents arising from frequency inverter operation. To prevent or avoid demagnetizing of the permanent magnets it is necessary to ensure that the magnets do not excessively heat up. Demagnetizations of permanent magnets are irreversible and a breakdown of the electrical machine is inevitable. For the design of an electrical machine, the knowledge of the behavior of heating under operating conditions of the permanent magnet is of crucial importance. Therefore, a calculation model is presented with which the machine designer can easily calculate the eddy current losses in the magnetic material.

Keywords: analytical model, eddy current, losses, lattice network, permanent magnet

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Authors: Jizhi Zhao, Qiliang Zhou, Muxuan Tao

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The calculation of the ultimate loading capacity of composite frame beams is an important step in the design of composite frame structural systems. Currently, the plastic limit theory is mainly used for this calculation in the codes adopted by many countries; however, the effective slab width recommended in most codes is based on the elastic theory, which does not accurately reflect the complex stress mechanism at the beam-column joints in the ultimate loading state. Therefore, the authors’ research group put forward the Compression-on-Column-Face mechanism and Tension-on-Transverse-Beam mechanism to explain the mechanism in the ultimate loading state. Formulae are derived for calculating the effective slab width in composite frames with rectangular/square-section columns under ultimate lateral loading. Moreover, this paper discusses the calculation method of the effective slab width for the beam-end flexural strength of composite frames with circular-section columns. The proposed design formula is suitable for exterior and interior joints. Finally, this paper compares the proposed formulae with available formulae in other literature, current design codes, and experimental results, providing the most accurate results to predict the effective slab width and ultimate loading capacity.

Keywords: composite frame structure, effective slab width, circular-section column, design formulae, ultimate loading capacity

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Authors: Suleiman Bashir Adamu, Lawan Sani Taura

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We study the role of boundary conditions via -symmetric quantum mechanics, where denotes parity operator and denotes time reversal operator. Using the one-dimensional Schrödinger Hamiltonian for a free particle in an infinite square well, we introduce symmetric boundary conditions. We find solutions of the 1D Klein-Gordon equation for a free particle in an infinite square well with Hermitian boundary and symmetry boundary conditions, where in both cases the energy eigenvalues and eigenfunction, respectively, are obtained.

Keywords: Eigenvalues, Eigenfunction, Hamiltonian, Klein- Gordon equation, PT-symmetric quantum mechanics

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Authors: Guillaume Morin-Duponchelle, Ahmed Nait Chabane, Benoit Zerr, Pierre Schoesetters

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Industrial inspection can be achieved through robotic systems, allowing visual and chemical servoing. A popular scheme for visual servo-controlled robotic is the image-based servoing sys-tems. In this paper, an approach of visual and chemical servoing of a hexapod robot using a visual and chemical Jacobian matrix are proposed. The basic idea behind the visual Jacobian matrix is modeling the differential relationship between the camera system and the robotic control system to detect and track accurately points of interest in confined environments. This approach allows the robot to easily detect and navigates to the QR code or seeks a gas source localization using surge cast algorithm. To track the QR code target, a visual servoing based on Jacobian matrix is used. For chemical servoing, three gas sensors are embedded on the hexapod. A Jacobian matrix applied to the gas concentration measurements allows estimating the direction of the main gas source. The effectiveness of the proposed scheme is first demonstrated on simulation. Finally, a hexapod prototype is designed and built and the experimental validation of the approach is presented and discussed.

Keywords: chemical servoing, hexapod robot, Jacobian matrix, visual servoing, navigation

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Authors: Suzana Ramli, Wardah Tahir

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Estimation of surface runoff depth is a vital part in any rainfall-runoff modeling. It leads to stream flow calculation and later predicts flood occurrences. GIS (Geographic Information System) is an advanced and opposite tool used in simulating hydrological model due to its realistic application on topography. The paper discusses on calculation of surface runoff depth for two selected events by using GIS with Curve Number method for Upper Klang River basin. GIS enables maps intersection between soil type and land use that later produces curve number map. The results show good correlation between simulated and observed values with more than 0.7 of R2. Acceptable performance of statistical measurements namely mean error, absolute mean error, RMSE, and bias are also deduced in the paper.

Keywords: surface runoff, geographic information system, curve number method, environment

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Authors: Hsiang-Wen Tang, Cheng-Ying Lo

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In this study, the static behavior of super elliptical Winkler plate is analyzed by applying the double side approach method. The lack of information about super elliptical Winkler plates is the motivation of this study and we use the double side approach method to solve this problem because of its superior ability on efficiently treating problems with complex boundary shape. The double side approach method has the advantages of high accuracy, easy calculation procedure and less calculation load required. Most important of all, it can give the error bound of the approximate solution. The numerical results not only show that the double side approach method works well on this problem but also provide us the knowledge of static behavior of super elliptical Winkler plate in practical use.

Keywords: super elliptical winkler plate, double side approach method, error bound, mechanic

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Authors: Francesca Schiavello

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This work aims to create a hybrid algorithm, combining Quantum Approximate Optimization Algorithm (QAOA) with an Evolutionary Algorithm (EA) in the place of traditional gradient based optimization processes. QAOA’s were first introduced in 2014, where, at the time, their algorithm performed better than the traditional best known classical algorithm for Max-cut graphs. Whilst classical algorithms have improved since then and have returned to being faster and more efficient, this was a huge milestone for quantum computing, and their work is often used as a benchmarking tool and a foundational tool to explore variants of QAOA’s. This, alongside with other famous algorithms like Grover’s or Shor’s, highlights to the world the potential that quantum computing holds. It also presents the reality of a real quantum advantage where, if the hardware continues to improve, this could constitute a revolutionary era. Given that the hardware is not there yet, many scientists are working on the software side of things in the hopes of future progress. Some of the major limitations holding back quantum computing are the quality of qubits and the noisy interference they generate in creating solutions, the barren plateaus that effectively hinder the optimization search in the latent space, and the availability of number of qubits limiting the scale of the problem that can be solved. These three issues are intertwined and are part of the motivation for using EAs in this work. Firstly, EAs are not based on gradient or linear optimization methods for the search in the latent space, and because of their freedom from gradients, they should suffer less from barren plateaus. Secondly, given that this algorithm performs a search in the solution space through a population of solutions, it can also be parallelized to speed up the search and optimization problem. The evaluation of the cost function, like in many other algorithms, is notoriously slow, and the ability to parallelize it can drastically improve the competitiveness of QAOA’s with respect to purely classical algorithms. Thirdly, because of the nature and structure of EA’s, solutions can be carried forward in time, making them more robust to noise and uncertainty. Preliminary results show that the EA algorithm attached to QAOA can perform on par with the traditional QAOA with a Cobyla optimizer, which is a linear based method, and in some instances, it can even create a better Max-Cut. Whilst the final objective of the work is to create an algorithm that can consistently beat the original QAOA, or its variants, due to either speedups or quality of the solution, this initial result is promising and show the potential of EAs in this field. Further tests need to be performed on an array of different graphs with the parallelization aspect of the work commencing in October 2023 and tests on real hardware scheduled for early 2024.

Keywords: evolutionary algorithm, max cut, parallel simulation, quantum optimization

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Authors: Dmytro Zubov, Francesco Volponi

Abstract:

In this paper, D-Wave quantum computing Ising model is used for the forecasting of positive extremes of daily mean air temperature. Forecast models are designed with two to five qubits, which represent 2-, 3-, 4-, and 5-day historical data respectively. Ising model’s real-valued weights and dimensionless coefficients are calculated using daily mean air temperatures from 119 places around the world, as well as sea level (Aburatsu, Japan). In comparison with current methods, this approach is better suited to predict heat wave values because it does not require the estimation of a probability distribution from scarce observations. Proposed forecast quantum computing algorithm is simulated based on traditional computer architecture and combinatorial optimization of Ising model parameters for the Ronald Reagan Washington National Airport dataset with 1-day lead-time on learning sample (1975-2010 yr). Analysis of the forecast accuracy (ratio of successful predictions to total number of predictions) on the validation sample (2011-2014 yr) shows that Ising model with three qubits has 100 % accuracy, which is quite significant as compared to other methods. However, number of identified heat waves is small (only one out of nineteen in this case). Other models with 2, 4, and 5 qubits have 20 %, 3.8 %, and 3.8 % accuracy respectively. Presented three-qubit forecast model is applied for prediction of heat waves at other five locations: Aurel Vlaicu, Romania – accuracy is 28.6 %; Bratislava, Slovakia – accuracy is 21.7 %; Brussels, Belgium – accuracy is 33.3 %; Sofia, Bulgaria – accuracy is 50 %; Akhisar, Turkey – accuracy is 21.4 %. These predictions are not ideal, but not zeros. They can be used independently or together with other predictions generated by different method(s). The loss of human life, as well as environmental, economic, and material damage, from extreme air temperatures could be reduced if some of heat waves are predicted. Even a small success rate implies a large socio-economic benefit.

Keywords: heat wave, D-wave, forecast, Ising model, quantum computing

Procedia PDF Downloads 476

Authors: Sitrapee Changmuenwai, Sudaratana Wongweragiat

Abstract:

It is important that a dry chemical fire extinguisher must be inspected for its readiness. For each inspection, the inspectors need to turn the fire extinguisher tank upside down to let the chemical inside the tank move and prevent solidification, which would make the tank not ready for usage when needed. Each tank weighs approximately 16 kg. The inspectors have to turn each tank upside down twice (2 minutes/round). They need to put the tanks over their shoulder close to their ear in order to hear the chemical flow inside the tank or use their hands to feel it. The survey and questionnaire 'The Questionnaire Know Body', which includes neck, left shoulder, upper and lower right arms suggest that all 12 security staffs have the same fatigues. The current dry chemical fire extinguisher inspection affects various ergonomic health problems. Rapid Entire Body Assessment (REBA) is used for evaluation of posture risks so that the working postures may be redesigned or corrected. The dry chemical fire extinguisher inspection equipment has been developed to reduce ergonomic health risks for the inspectors. A REBA analysis has been performed again, and the risk score has been decreased from 13 to 3. In addition, feedbacks from the first trial of the developed equipment show that there are demands to increase the installation in order to reduce the ergonomic health risks.

Keywords: dry chemical fire extinguisher inspection equipment, ergonomic, REBA, rapid entire body assessment

Procedia PDF Downloads 106

Authors: Aleš Florian, Lenka Ševelová, Jaroslav Žák

Abstract:

Formation of tensile cracks in concrete slabs of rigid pavement can be (among others) the initiation point of the other, more serious failures which can ultimately lead to complete degradation of the concrete slab and thus the whole pavement. Two measures can be used for reliability assessment of this phenomenon - the probability of failure and/or the reliability index. Different methods can be used for their calculation. The simple ones are called moment methods and simulation techniques. Two methods - FOSM Method and Simple Random Sampling Method - are verified and their comparison is performed. The influence of information about the probability distribution and the statistical parameters of input variables as well as of the limit state function on the calculated reliability index and failure probability are studied in three points on the lower surface of concrete slabs of the older type of rigid pavement formerly used in the Czech Republic.

Keywords: failure, pavement, probability, reliability index, simulation, tensile crack

Procedia PDF Downloads 525

Authors: Z. Bayat

Abstract:

A quantitative structure–property relationship (QSPR) study was performed to develop models those relate the structures of 65 Kovats retention index (RI) of adamantane derivatives. Molecular descriptors derived solely from 3D structures of the molecular compounds. The usefulness of the quantum chemical descriptors, calculated at the level of the DFT theories using 6-311+G** basis set for QSAR study of adamantane derivatives was examined. The use of descriptors calculated only from molecular structure eliminates the need to experimental determination of properties for use in the correlation and allows for the estimation of RI for molecules not yet synthesized. The prediction results are in good agreement with the experimental value. A multi-parametric equation containing maximum Four descriptors at B3LYP/6-31+G** method with good statistical qualities (R2train=0.913, Ftrain=97.67, R2test=0.770, Ftest=3.21, Q2LOO=0.895, R2adj=0.904, Q2LGO=0.844) was obtained by Multiple Linear Regression using stepwise method.

Keywords: DFT, adamantane, QSAR, Kovat

Procedia PDF Downloads 344

Authors: Hamid Merzouk, D. T. Talantikite, H. Haddad, Amel Tounsi

Abstract:

ZnS is an important II-VI binary compound with large band-gap energy at room temperature. We present in this work preparation and characterization of ZnS and Cu doped ZnS thin films. The depositions are performed by a simple chemical bath deposition route. Structural properties are carried out by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Optical transmittance is investigated by the UV-visible spectroscopy at room temperature.

Keywords: chemical, bath, method, Cu, doped, ZnS, thin, films

Procedia PDF Downloads 532