Search results for: Poisson-Boltzmann calculations

Authors: Jan Doutreloigne

Abstract:

The main goal of this paper is to develop a switching amplifier with optimized power efficiency for analog signals with a very high crest factor such as audio or DSL signals. Theoretical calculations show that a switching amplifier architecture based on multi-level pulse width modulation outperforms all other types of linear or switching amplifiers in that respect. Simulations on a 2 W multi-level switching audio amplifier, designed in a 50 V 0.35 mm IC technology, confirm its superior performance in terms of power efficiency. A real silicon implementation of this audio amplifier design is currently underway to provide experimental validation.

Keywords: Audio amplifier, multi-level switching amplifier, power efficiency, pulse width modulation, PWM, self-oscillating amplifier.

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Authors: Osama H. Ghazal, Isam H. Qasem , M.Riyad H. Abdelkader

Abstract:

the intension in this work is to investigate the effect of different bending manifold pipes on engine performance for different engine speed. Power, Torque, and BSFC were calculated and presented to show the effect of varying bending pipes angles on them for all cases considered. A special program used to carry out the calculations. A simulation model for 4-cylinders spark ignition engine with turbocharger has been built and calculated. The analysis of the results shows that for 120o angle the torque increases about 40% at 3000 rpm and 25% at 4000 rpm without changing in fuel consumption. For 90o angle the increment in torque is about 10 %. For the same bending angle the increment in brake power is around 40% at 3000 rpm and 25% at 4000 rpm. The increment in fuel consumption is about 12% for 60o and 30% for 90o between (6000- 7000) rpm.

Keywords: bending pipes, inlet manifold, spark ignition engines, performance

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Authors: B. Roostaii, H. Kazeminejad, S. Khakshournia

Abstract:

The evolution of volume porosity previously obtained by using the existing low temperature high burn-up gaseous swelling model with progressive recrystallization for UO₂ fuel is utilized to study the degradation of irradiated UO₂ thermal conductivity calculated by the FRAPCON model of thermal conductivity. A porosity correction factor is developed based on the assumption that the fuel morphology is a three-phase type, consisting of the as-fabricated pores and pores due to intergranular bubbles whitin UO₂ matrix and solid fission products. The predicted thermal conductivity demonstrates an additional degradation of 27% due to porosity formation at burn-up levels around 120 MWd/kgU which would cause an increase in the fuel temperature accordingly. Results of the calculations are compared with available data.

Keywords: Irradiation-induced recrystallization, matrix swelling, porosity evolution, UO2 thermal conductivity.

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Authors: Hamid Rafiei, Reza Janamiri, Mohammad Hossein Sedaghat, Amir Hatampour

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In this work, the results of mixing study by a jet mixer in a tank have been investigated in the laboratory scale. The tank dimensions are H/D=1 and the jet entrance have been considered in the center of upper surface of tank. RNG-k-ε model is used as the turbulent model for the prediction of the pattern of turbulent flow inside the tank. For this purpose, a tank with volume of 110 liter is simulated and it has been divided into 410,000 tetrahedral control cells for performing the calculations. The grids at the vicinity of the nozzle and suction pare are finer to get more accurate results. The experimental results showed that in a vertical jet, the lowest mixing time takes place at 35 degree. In addition, mixing time decreased by increasing the Reynolds number. Furthermore, the CFD simulation predicted the items as well a flow patterns precisely that validates the experiments.

Keywords: Jet mixer, CFD, Turbulent model, Nozzle angle, Mixing time, Reynolds Number.

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Authors: Somkiat Tangjitsitcharoen, Suthas Ratanakuakangwan, Matchulika Khonmeak, Nattadate Fuangworawong

Abstract:

This research aims to analyze the regenerative burner and the recuperative burner for the different reheating furnaces in the steel industry. The warm air temperatures of the burners are determined to suit with the sizes of the reheating furnaces by considering the air temperature, the fuel cost and the investment cost. The calculations of the payback period and the net present value are studied to compare the burners for the different reheating furnaces. The energy balance is utilized to calculate and compare the energy used in the different sizes of reheating furnaces for each burner. It is found that the warm air temperature is different if the sizes of reheating furnaces are varied. Based on the considerations of the net present value and the payback period, the regenerative burner is suitable for all plants at the same life of the burner. Finally, the sensitivity analysis of all factors has been discussed in this research.

Keywords: Energy Balance, Recuperative Burner, Regenerative Burner, Reheating Furnace.

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Authors: Weifeng Wang, Xilong Chen, Xianwei Zeng

Abstract:

The cable tower of Liede Bridge is a double-column curved-lever arched-beam portal framed structure. Being novel and unique in structure, its cable tower differs in complexity from traditional ones. This paper analyzes the ultimate load capacity of cable tower by adopting the finite element calculations and model tests which indicate that constitutive relations applied here give a better simulation of actual failure process of prestressed reinforced concrete. In vertical load, horizontal load and overloading tests, the stepped loading of the tower model is of linear relationship, and the test data has good repeatability. All suggests that the cable tower has good bearing capacity, rational design and high emergency capacity.

Keywords: Cable tower of Liede Bridge, ultimate load capacity, model test, nonlinear finite element method

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Authors: M. Ghanaatian, N. Ghahramany, A. Bazrafshan

Abstract:

Following the laser ablation studies leading to a theory of nuclei confinement by a Debye layer mechanism, we present here numerical evaluations for the known stable nuclei where the Coulomb repulsion is included as a rather minor component especially for lager nuclei. In this research paper the required physical conditions for the formation and stability of nuclei particularly endothermic nuclei with mass number greater than to which is an open astrophysical question have been investigated. Using the Debye layer mechanism, nuclear surface energy, Fermi energy and coulomb repulsion energy it is possible to find conditions under which the process of nucleation is permitted in early universe. Our numerical calculations indicate that about 200 second after the big bang at temperature of about 100 KeV and subrelativistic region with nucleon density nearly equal to normal nuclear density namely, 10cm all endothermic and exothermic nuclei have been formed.

Keywords: Endothermic nuclear synthesis, Fermi energy, Surface tension, Debye length.

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Authors: Rabah Haoui

Abstract:

The aim of this work is to analyze a viscous flow around the axisymmetric blunt body taken into account the mesh size both in the free stream and into the boundary layer. The resolution of the Navier-Stokes equations is realized by using the finite volume method to determine the flow parameters and detached shock position. The numerical technique uses the Flux Vector Splitting method of Van Leer. Here, adequate time stepping parameter, CFL coefficient and mesh size level are selected to ensure numerical convergence. The effect of the mesh size is significant on the shear stress and velocity profile. The best solution is obtained with using a very fine grid. This study enabled us to confirm that the determination of boundary layer thickness can be obtained only if the size of the mesh is lower than a certain value limits given by our calculations.

Keywords: Supersonic flow, viscous flow, finite volume, blunt body.

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Authors: Cory A. Bennett

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Teaching and learning through the use of discourse support students’ conceptual understanding by attending to key concepts and relationships. One discourse structure used in primary classrooms is number talks wherein students mentally calculate, discuss, and reason about the appropriateness and efficiency of their strategies. In the secondary mathematics classroom, the mathematics understudy does not often lend itself to mental calculations yet learning to reason, and articulate reasoning, is central to learning mathematics. This qualitative case study discusses how one secondary school in the Middle East adapted the number talk protocol for secondary mathematics classrooms. Several challenges in implementing ‘reasoning talks’ became apparent including shifting current discourse protocols and practices to a more student-centric model, accurately recording and probing student thinking, and specifically attending to reasoning rather than computations.

Keywords: Discourse, reasoning, secondary mathematics, teacher development.

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Authors: Amany M. El-Zonkoly, Hussein Desouki

Abstract:

Distance protection of transmission lines including advanced flexible AC transmission system (FACTS) devices has been a very challenging task. FACTS devices of interest in this paper are static synchronous series compensators (SSSC) and unified power flow controller (UPFC). In this paper, a new algorithm is proposed to detect and classify the fault and identify the fault position in a transmission line with respect to a FACTS device placed in the midpoint of the transmission line. Discrete wavelet transformation and wavelet entropy calculations are used to analyze during fault current and voltage signals of the compensated transmission line. The proposed algorithm is very simple and accurate in fault detection and classification. A variety of fault cases and simulation results are introduced to show the effectiveness of such algorithm.

Keywords: Entropy calculation, FACTS, SSSC, UPFC, wavelet transform.

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Authors: M. Nageswara Rao

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In this paper, a topology for high voltage gain half-bridge z-source inverter with low voltage stress on capacitors is proposed. The proposed inverter has only one impedance network. It can generate symmetric and asymmetric voltages with different magnitudes during both half-cycles. By selecting the duty cycle it can also produce conventional half-bridge inverter characteristics. It is used in special applications like, electrochemical and electro plating applications. Calculations of voltage ripple of capacitors, capacitors voltage stress inductors current ripple are presented. The proposed topology is simulated using PSCAD software and the simulated values are compared with the theoretical values.

Keywords: Half-bridge inverter, impedance network-source inverter, high voltage gain inverter, power system computer aided design.

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Authors: Sheng-Hsiu Kuo, Pao-Hsiung Chiu, Reui-Kuo Lin, Yan-Ting Lin

Abstract:

A one-step conservative level set method, combined with a global mass correction method, is developed in this study to simulate the incompressible two-phase flows. The present framework do not need to solve the conservative level set scheme at two separated steps, and the global mass can be exactly conserved. The present method is then more efficient than two-step conservative level set scheme. The dispersion-relation-preserving schemes are utilized for the advection terms. The pressure Poisson equation solver is applied to GPU computation using the pCDR library developed by National Center for High-Performance Computing, Taiwan. The SMP parallelization is used to accelerate the rest of calculations. Three benchmark problems were done for the performance evaluation. Good agreements with the referenced solutions are demonstrated for all the investigated problems.

Keywords: Conservative level set method, two-phase flow, dispersion-relation-preserving, graphics processing unit (GPU), multi-threading.

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Authors: Liliia N. Butymova, Vladimir Ya Modorskii

Abstract:

To ensure the gas transmittal GCU's efficient operation, leakages through the labyrinth packings (LP) should be minimized. Leakages can be minimized by decreasing the LP gap, which in turn depends on thermal processes and possible rotor vibrations and is designed to ensure absence of mechanical contact. Vibration mitigation allows to minimize the LP gap. It is advantageous to research influence of processes in the dynamic gas-structure system on LP vibrations. This paper considers influence of rotor vibrations on LP gas dynamics and influence of the latter on the rotor structure within the FSI unidirectional dynamical coupled problem. Dependences of nonstationary parameters of gas-dynamic process in LP on rotor vibrations under various gas speeds and pressures, shaft rotation speeds and vibration amplitudes, and working medium features were studied. The programmed multi-processor ANSYS CFX was chosen as a numerical computation tool. The problem was solved using PNRPU high-capacity computer complex. Deformed shaft vibrations are replaced with an unyielding profile that moves in the fixed annulus "up-and-down" according to set harmonic rule. This solves a nonstationary gas-dynamic problem and determines time dependence of total gas-dynamic force value influencing the shaft. Pressure increase from 0.1 to 10 MPa causes growth of gas-dynamic force oscillation amplitude and frequency. The phase shift angle between gas-dynamic force oscillations and those of shaft displacement decreases from 3π/4 to π/2. Damping constant has maximum value under 1 MPa pressure in the gap. Increase of shaft oscillation frequency from 50 to 150 Hz under P=10 MPa causes growth of gas-dynamic force oscillation amplitude. Damping constant has maximum value at 50 Hz equaling 1.012. Increase of shaft vibration amplitude from 20 to 80 µm under P=10 MPa causes the rise of gas-dynamic force amplitude up to 20 times. Damping constant increases from 0.092 to 0.251. Calculations for various working substances (methane, perfect gas, air at 25 ˚С) prove the minimum gas-dynamic force persistent oscillating amplitude under P=0.1 MPa being observed in methane, and maximum in the air. Frequency remains almost unchanged and the phase shift in the air changes from 3π/4 to π/2. Calculations for various working substances (methane, perfect gas, air at 25 ˚С) prove the maximum gas-dynamic force oscillating amplitude under P=10 MPa being observed in methane, and minimum in the air. Air demonstrates surging. Increase of leakage speed from 0 to 20 m/s through LP under P=0.1 MPa causes the gas-dynamic force oscillating amplitude to decrease by 3 orders and oscillation frequency and the phase shift to increase 2 times and stabilize. Increase of leakage speed from 0 to 20 m/s in LP under P=1 MPa causes gas-dynamic force oscillating amplitude to decrease by almost 4 orders. The phase shift angle increases from π/72 to π/2. Oscillations become persistent. Flow rate proved to influence greatly on pressure oscillations amplitude and a phase shift angle. Work medium influence depends on operation conditions. At pressure growth, vibrations are mostly affected in methane (of working substances list considered), and at pressure decrease, in the air at 25 ˚С.

Keywords: Aeroelasticity, labyrinth packings, oscillation phase shift, vibration.

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Authors: Deepak Kumar, Vivek Kumar, V. P. Singh

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This paper describes a steady state model of a multiple effect evaporator system for simulation and control purposes. The model includes overall as well as component mass balance equations, energy balance equations and heat transfer rate equations for area calculations for all the effects. Each effect in the process is represented by a number of variables which are related by the energy and material balance equations for the feed, product and vapor flow for backward, mixed and split feed. For simulation 'fsolve' solver in MATLAB source code is used. The optimality of three sequences i.e. backward, mixed and splitting feed is studied by varying the various input parameters.

Keywords: MATLAB "fsolve" solver, multiple effectevaporators, black liquor, feeding sequences.

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Authors: Md Abdullah Al Mashud, M. Tariquzzaman, M. Jahangir Alam, Tapan Kumar Godder, M. Mahbubur Rahman

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This paper presents a Monte Carlo (MC) method-based dose distributions on lung tumor for 6 MV photon beam to improve the dosimetric accuracy for cancer treatment. The polystyrene which is tissue equivalent material to the lung tumor density is used in this research. In the empirical calculations, TRS-398 formalism of IAEA has been used, and the setup was made according to the ICRU recommendations. The research outcomes were compared with the state-of-the-art experimental results. From the experimental results, it is observed that the proposed based approach provides more accurate results and improves the accuracy than the existing approaches. The average %variation between measured and TPS simulated values was obtained 1.337±0.531, which shows a substantial improvement comparing with the state-of-the-art technology.

Keywords: Lung tumor, Monte Carlo, polystyrene, elekta synergy, Monaco Planning System.

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Authors: Shady Sayed, Samer Wagdy, Ahmed Badawy, Moutaz M. Hegaze

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A symmetrical single mass resonant gyroscope is discussed in this paper. The symmetrical design allows matched resonant frequencies for driving and sensing vibration modes, which leads to amplifying the sensitivity of the gyroscope by the mechanical quality factor of the sense mode. It also achieves decoupled vibration modes for getting a low zero-rate output shift and more stable operation environment. A new suspension beams design is developed to get a symmetrical gyroscope with matched and decoupled modes at the same time. Finite element simulations are performed using ANSYS software package to verify the theoretical calculations. The gyroscope is fabricated from aluminum alloy 2024 substrate, the measured drive and sense resonant frequencies of the fabricated model are matched and equal 81.4 Hz with 5.7% error from the simulation results.

Keywords: Decoupled mode shapes, resonant sensor, symmetrical gyroscope, finite element simulation.

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Authors: Hadi Farhadian, Homayoon Katibeh

Abstract:

In this paper, groundwater seepage into Amirkabir tunnel has been estimated using analytical and numerical methods for 14 different sections of the tunnel. Site Groundwater Rating (SGR) method also has been performed for qualitative and quantitative classification of the tunnel sections. The obtained results of above mentioned methods were compared together. The study shows reasonable accordance with results of the all methods unless for two sections of tunnel. In these two sections there are some significant discrepancies between numerical and analytical results mainly originated from model geometry and high overburden. SGR and the analytical and numerical calculations, confirm high concentration of seepage inflow in fault zones. Maximum seepage flow into tunnel has been estimated 0.425 lit/sec/m using analytical method and 0.628 lit/sec/m using numerical method occured in crashed zone. Based on SGR method, six sections of 14 sections in Amirkabir tunnel axis are found to be in "No Risk" class that is supported by the analytical and numerical seepage value of less than 0.04 lit/sec/m.

Keywords: Water Seepage, Amirkabir Tunnel, Analytical Method, DEM, SGR.

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Authors: Naga Brahmendra Yadav Gorla, Dr. Lakshmi Narasamma N

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This paper proposes an active soft-switching circuit for bridge converters aiming to improve the power conversion efficiency. The proposed circuit achieves loss-less switching for both main and auxiliary switches without increasing the main switch current/voltage rating. A winding coupled to the primary of power transformer ensures ZCS for the auxiliary switches during their turn-off. A 350 W, 100 kHz phase shifted full bridge (PSFB) converter is built to validate the analysis and design. Theoretical loss calculations for proposed circuit is presented. The proposed circuit is compared with passive soft switched PSFB in terms of efficiency and loss in duty cycle.

Keywords: soft switching, passive soft switching, ZVS, ZCS, PSFB.

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Authors: E. Dahlen

Abstract:

Inflation can be calculated from either the prices of consumer products or from salaries. This paper presents a logical exercise that shows it is easier to calculate inflation from salaries than from consumer products. While the prices of consumer products may change due to technological advancement, such as automation, which must be corrected for, salaries do not. If technological advancements are not accounted for within calculations based on consumer product prices, inflation can be confused with real wage changes, since both inflation and real wage changes affect the prices of consumer products. The method employed in this paper is a logical exercise. Logical arguments are presented that suggest the existence of many different feasible ways by which inflation can be determined. Then a short mathematical exercise will be presented which shows that one of these methods –using salaries – contains the fewest number of unknown parameters, and hence, is the preferred method, since the risk of mistakes is lower. From the results, it can be concluded that salaries, rather than consumer products, should be used to calculate inflation.

Keywords: Inflation, logic, math, real wages.

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Authors: Gulten Yilmaz, A. Beril Tugrul, Mustafa Demir, Dogan Yasar, Bayram Demir, Bulent Buyuk

Abstract:

A Positron Emission Tomography (PET) is a radioisotope imaging technique that illustrates the organs and the metabolisms of the human body. This technique is based on the simultaneous detection of 511 keV annihilation photons, annihilated as a result of electrons annihilating positrons that radiate from positron-emitting radioisotopes that enter biological active molecules in the body. This study was conducted on ten patients in an effort to conduct patient-related experimental studies. Dosage monitoring for the bladder, which was the organ that received the highest dose during PET applications, was conducted for 24 hours. Assessment based on measuring urination activities after injecting patients was also a part of this study. The MIRD method was used to conduct dosage calculations for results obtained from experimental studies. Results obtained experimentally and theoretically were assessed comparatively.

Keywords: PET/CT, TLD, MIRD, Dose measurement, Patient doses.

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Authors: S. Yamini Sudha, Ashok Khanna

Abstract:

Owing to the stringent environmental legislations, CO2 capture and sequestration is one of the viable solutions to reduce the CO2 emissions from various sources. In this context, Ionic liquids (ILs) are being investigated as suitable absorption media for CO2 capture. Due to their non-evaporative, non-toxic, and non-corrosive nature, these ILs have the potential to replace the existing solvents like aqueous amine solutions for CO2 separation technologies. Thus, the present work aims at studying the important aspects such as the interactions of CO2 molecule with different anions (F-, Br-, Cl-, NO3 -, BF4 -, PF6 -, Tf2N-, and CF3SO3 -) that are commonly used in ILs through molecular modeling. In this, the minimum energy structures have been obtained using Ab initio based calculations at MP2 (Moller-Plesset perturbation) level. Results revealed various degrees of distortion of CO2 molecule (from its linearity) with the anions studied, most likely due to the Lewis acid-base interactions between CO2 and anion. Furthermore, binding energies for the anion-CO2 complexes were also calculated. The implication of anion-CO2 interactions to the solubility of CO2 in ionic liquids is also discussed.

Keywords: CO2, Ionic liquids, capture, molecular modeling, sequestration.

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Authors: Ehsan Ghanaei, Feridun Esmaeilzadeh, Jamshid Fathi Kaljahi

Abstract:

In the previous multi-solid models,¤ò approach is used for the calculation of fugacity in the liquid phase. For the first time, in the proposed multi-solid thermodynamic model,γ approach has been used for calculation of fugacity in the liquid mixture. Therefore, some activity coefficient models have been studied that the results show that the predictive Wilson model is more appropriate than others. The results demonstrate γ approach using the predictive Wilson model is in more agreement with experimental data than the previous multi-solid models. Also, by this method, generates a new approach for presenting stability analysis in phase equilibrium calculations. Meanwhile, the run time in γ approach is less than the previous methods used ¤ò approach. The results of the new model present 0.75 AAD % (Average Absolute Deviation) from the experimental data which is less than the results error of the previous multi-solid models obviously.

Keywords: Multi-solid thermodynamic model, PredictiveWilson model, Wax formation.

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Authors: Abo-El-Nour N. Abd-Alla, Fatimah A. Alsheikh

Abstract:

This study deals with the phenomena of reflection and transmission (refraction) of qSV-waves, for an incident of quasi transverse vertically waves, at a plane interface of two semi-infinite piezoelectric elastic media under the influence of the initial stresses. The relations governing the reflection and transmission coefficients of these reflected waves for various suitable boundary conditions are derived. We have shown analytically that reflection and transmission coefficients of (qP) and (qSV) waves depend upon the angle of incidence, the parameters of electric potential, the material constants of the medium as will as the initial stresses presented in the media. The numerical calculations of the reflection and transmission amplitude ratios for different values of initial stresses have been carried out by computer for different materials as examples and the results are given in the form of graphs. Finally, some of particular cases are considered.

Keywords: Quasi plane vertical transverse waves, reflection and transmission coefficients, initial stresses, PZT-5H Ceramic, Aluminum Nitride (AlN), Piezoelectricity

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Authors: Tariq T. Darabseh

Abstract:

The transient thermoelastic response of thick hollow cylinder made of functionally graded material under thermal loading is studied. The generalized coupled thermoelasticity based on the Green-Lindsay model is used. The thermal and mechanical properties of the functionally graded material are assumed to be varied in the radial direction according to a power law variation as a function of the volume fractions of the constituents. The thermal and elastic governing equations are solved by using Galerkin finite element method. All the finite element calculations were done by using commercial finite element program FlexPDE. The transient temperature, radial displacement, and thermal stresses distribution through the radial direction of the cylinder are plotted.

Keywords: Finite element method, thermal stresses, Green-Lindsay theory, functionally graded material.

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Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH₂)₃NAr)}^2-((ηⁿ-Cp)Cp)} (Ar = 2,6-Prⁱ₂C₆H₃)(Cp = C₅H₅ and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH₂)₃NAr)₂Cl(η⁵-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH₂)₃NAr)₂Cl(η¹-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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Authors: B. J. C. Horsten, L. L. M. Veldhuis

Abstract:

Because support interference corrections are not properly understood, engineers mostly rely on expensive dummy measurements or CFD calculations. This paper presents a method based on uncorrected wind tunnel measurements and fast calculation techniques (it is a hybrid method) to calculate wall interference, support interference and residual interference (when e.g. a support member closely approaches the wind tunnel walls) for any type of wind tunnel and support configuration. The method provides with a simple formula for the calculation of the interference gradient. This gradient is based on the uncorrected measurements and a successive calculation of the slopes of the interference-free aerodynamic coefficients. For the latter purpose a new vortex-lattice routine is developed that corrects the slopes for viscous effects. A test case of a measurement on a wing proves the value of this hybrid method as trends and orders of magnitudes of the interference are correctly determined.

Keywords: Hybrid method, support interference, wall interference, wind tunnel corrections.

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

Abstract:

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

Keywords: Ab initio, bulk modulus, DFT, DFT + U.

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Authors: R. C. J. Mphahlele, K. Bolton, H. Kasaini

Abstract:

Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Keywords: Activated Carbons, Binding energy, DFT, Force fields.

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Authors: Anam Rafique, Syed Sohail Ahmed

Abstract:

One of the essential components of much of DSP application is noise cancellation. Changes in real time signals are quite rapid and swift. In noise cancellation, a reference signal which is an approximation of noise signal (that corrupts the original information signal) is obtained and then subtracted from the noise bearing signal to obtain a noise free signal. This approximation of noise signal is obtained through adaptive filters which are self adjusting. As the changes in real time signals are abrupt, this needs adaptive algorithm that converges fast and is stable. Least mean square (LMS) and normalized LMS (NLMS) are two widely used algorithms because of their plainness in calculations and implementation. But their convergence rates are small. Adaptive averaging filters (AFA) are also used because they have high convergence, but they are less stable. This paper provides the comparative study of LMS and Normalized NLMS, AFA and new enhanced average adaptive (Average NLMS-ANLMS) filters for noise cancelling application using speech signals.

Keywords: AFA, ANLMS, LMS, NLMS.

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Authors: Alexander L. Dmitriev, Sophia A. Bulgakova

Abstract:

Temperature dependence of force of gravitation is one of the fundamental problems of physics. This problem has got special value in connection with that the general theory of relativity, supposing the weakest positive influence of a body temperature on its weight, actually rejects an opportunity of measurement of negative influence of temperature on gravity in laboratory conditions. Really, the recognition of negative temperature dependence of gravitation, for example, means basic impossibility of achievement of a singularity («a black hole») at a gravitational collapse. Laboratory experiments with exact weighing the heated up metal samples, indicating negative influence temperatures of bodies on their physical weight are described. Influence of mistakes of measurements is analyzed. Calculations of distribution of temperature in volume of the bar, agreed with experimental data of time dependence of weight of samples are executed. The physical substantiation of negative temperature dependence of weight of the bodies, based on correlation of acceleration at thermal movement of micro-particles of a body and its absolute temperature, are given.

Keywords: Gravitation, temperature, weight.

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