Search results for: numerical calculations

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: Ameni Mokni , Hatem Mhiri , Georges Le Palec , Philippe Bournot

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In mechanical and environmental engineering, mixed convection is a frequently encountered thermal fluid phenomenon which exists in atmospheric environment, urban canopy flows, ocean currents, gas turbines, heat exchangers, and computer chip cooling systems etc... . This paper deals with a numerical investigation of mixed convection in a vertical heated channel. This flow results from the mixing of the up-going fluid along walls of the channel with the one issued from a flat nozzle located in its entry section. The fluiddynamic and heat-transfer characteristics of vented vertical channels are investigated for constant heat-flux boundary conditions, a Rayleigh number equal to 2.57 1010, for two jet Reynolds number Re=3 103 and 2104 and the aspect ratio in the 8-20 range. The system of governing equations is solved with a finite volumes method and an implicit scheme. The obtained results show that the turbulence and the jet-wall interaction activate the heat transfer, as does the drive of ambient air by the jet. For low Reynolds number Re=3 103, the increase of the aspect Ratio enhances the heat transfer of about 3%, however; for Re=2 104, the heat transfer enhancement is of about 12%. The numerical velocity, pressure and temperature fields are post-processed to compute the quantities of engineering interest such as the induced mass flow rate, and average Nusselt number, in terms of Rayleigh, Reynolds numbers and dimensionless geometric parameters are presented.

Keywords: Aspect Ratio, Channel, Jet, Mixed convection

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

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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: M. Nikbakht, N. Choupani

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In this paper delamination phenomenon in Carbon-Epoxy laminated composite material is investigated numerically. Arcan apparatus and specimen is modeled in ABAQUS finite element software for different loading conditions and crack geometries. The influence of variation of crack geometry on interlaminar fracture stress intensity factor and energy release rate for various mixed mode ratios and pure mode I and II was studied. Also, correction factors for this specimen for different crack length ratios were calculated. The finite element results indicate that for loading angles close to pure mode-II loading, a high ratio of mode-II to mode-I fracture is dominant and there is an opposite trend for loading angles close to pure mode-I loading. It confirms that by varying the loading angle of Arcan specimen pure mode-I, pure mode-II and a wide range of mixed-mode loading conditions can be created and tested. Also, numerical results confirm that the increase of the mode- II loading contribution leads to an increase of fracture resistance in the CF/PEI composite (i.e., a reduction in the total strain energy release rate) and the increase of the crack length leads to a reduction of interlaminar fracture resistance in the CF/PEI composite (i.e., an increase in the total interlaminar strain energy release rate).

Keywords: Fracture Mechanics, Mixed Mode, Arcan Specimen, Finite Element.

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Authors: Weifeng Wang, Xilong Chen, Xianwei Zeng

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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: 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

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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: Waqed H. Almohammed, Mohammed Y. Fattah, Sajjad E. Rasheed

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Dynamic traffic loads cause deformation of underground pipes, resulting in vehicle discomfort. This makes it necessary to reinforce the layers of soil above underground pipes. In this study, the subbase layer was reinforced. Finite element software (PLAXIS 3D) was used to in the simulation, which includes geocell reinforcement, vehicle loading, soil layers and Glass Fiber Reinforced Plastic (GRP) pipe. Geocell reinforcement was modeled using a geogrid element, which was defined as a slender structure element that has the ability to withstand axial stresses but not to resist bending. Geogrids cannot withstand compression but they can withstand tensile forces. Comparisons have been made between the numerical models and experimental works, and a good agreement was obtained. Using the mathematical model, the performance of three different pipes of diameter 600 mm, 800 mm, and 1000 mm, and three different vehicular speeds of 20 km/h, 40 km/h, and 60 km/h, was examined to determine their impact on surface settlement and vertical pressure at the pipe crown for two cases: with and without geocell reinforcement. The results showed that, for a pipe diameter of 600 mm under geocell reinforcement, surface settlement decreases by 94 % when the speed of the vehicle is 20 km/h and by 98% when the speed of the vehicle is 60 km/h. Vertical pressure decreases by 81 % when the diameter of the pipe is 600 mm, while the value decreases to 58 % for a pipe with diameter 1000 mm. The results show that geocell reinforcement causes a significant and positive reduction in surface settlement and vertical stress above the pipe crown, leading to an increase in pipe safety.

Keywords: Dynamic loading, geocell reinforcement, GRP pipe, PLAXIS 3D, surface settlement.

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Authors: Sachin Kumar, Vivek Tiwari, Goutam Dutta

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The paper investigates parallel channel instabilities of natural circulation boiling water reactor. A thermal-hydraulic model is developed to simulate two-phase flow behavior in the natural circulation boiling water reactor (NCBWR) with the incorporation of ex-core components and recirculation loop such as steam separator, down-comer, lower-horizontal section and upper-horizontal section and then, numerical analysis is carried out for parallel channel instabilities of the reactor undergoing both in-phase and out-of-phase modes of oscillations. To analyze the relative effect on stability of the reactor due to inclusion of various ex-core components and recirculation loop, marginal stable point is obtained at a particular inlet enthalpy of the reactor core without the inclusion of ex-core components and recirculation loop and then with the inclusion of the same. Numerical simulations are also conducted to determine the relative dominance between two modes of oscillations i.e. in-phase and out-of-phase. Simulations are also carried out when the channels are subjected to asymmetric power distribution keeping the inlet enthalpy same.

Keywords: Asymmetric power distribution, Density wave oscillations, In-phase and out-of-phase modes of instabilities, Natural circulation boiling water reactor

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

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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: 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: 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

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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

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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

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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

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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: Minghui Wang, Shanrui Hu

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An inverse problem of doubly center matrices is discussed. By translating the constrained problem into unconstrained problem, two iterative methods are proposed. A numerical example illustrate our algorithms.

Keywords: doubly center matrix, electric network theory, iterative methods, least-square problem.

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Authors: Tariq T. Darabseh

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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

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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: Kyung Jin Ryu, MakhsudaJuraeva, Sang-Hyun Jeongand Dong Joo Song

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Clean air in subway station is important to passengers. The Platform Screen Doors (PSDs) can improve indoor air quality in the subway station; however the air quality in the subway tunnel is degraded. The subway tunnel has high CO2 concentration and indoor particulate matter (PM) value. The Indoor Air Quality (IAQ) level in subway environment degrades by increasing the frequency of the train operation and the number of the train. The ventilation systems of the subway tunnel need improvements to have better air-quality. Numerical analyses might be effective tools to analyze the performance of subway twin-track tunnel ventilation systems. An existing subway twin-track tunnel in the metropolitan Seoul subway system is chosen for the numerical simulations. The ANSYS CFX software is used for unsteady computations of the airflow inside the twin-track tunnel when the train moves. The airflow inside the tunnel is simulated when one train runs and two trains run at the same time in the tunnel. The piston-effect inside the tunnel is analyzed when all shafts function as the natural ventilation shaft. The supplied air through the shafts is mixed with the pollutant air in the tunnel. The pollutant air is exhausted by the mechanical ventilation shafts. The supplied and discharged airs are balanced when only one train runs in the twin-track tunnel. The pollutant air in the tunnel is high when two trains run simultaneously in opposite direction and all shafts functioned as the natural shaft cases when there are no electrical power supplies in the shafts. The remained pollutant air inside the tunnel enters into the station platform when the doors are opened.

Keywords: indoor air quality, subway twin-track tunnel, train-induced wind

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Authors: Praveen Kumar, Nitin Kumar, Hemant Kumar

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The modernization of computer technology and commercial computational fluid dynamic (CFD) simulation has given better detailed results as compared to experimental investigation techniques. CFD techniques are widely used in different field due to its flexibility and performance. Evaluation of pipeline erosion is complex phenomenon to solve by numerical arithmetic technique, whereas CFD simulation is an easy tool to resolve that type of problem. Erosion wear behaviour due to solid–liquid mixture in the slurry pipeline has been investigated using commercial CFD code in FLUENT. Multi-phase Euler-Lagrange model was adopted to predict the solid particle erosion wear in 22.5° pipe bend for the flow of bottom ash-water suspension. The present study addresses erosion prediction in three dimensional 22.5° pipe bend for two-phase (solid and liquid) flow using finite volume method with standard k-ε turbulence, discrete phase model and evaluation of erosion wear rate with varying velocity 2-4 m/s. The result shows that velocity of solid-liquid mixture found to be highly dominating parameter as compared to solid concentration, density, and particle size. At low velocity, settling takes place in the pipe bend due to low inertia and gravitational effect on solid particulate which leads to high erosion at bottom side of pipeline.

Keywords: Computational fluid dynamics, erosion, slurry transportation, k-ε Model.

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

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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

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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: Miled Amel, Ben Maad Hatem, Askri Faouzi, Ben Nasrallah Sassi

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Metal hydride water pumping system uses hydrogen as working fluid to pump water for low head and high discharge. The principal operation of this pump is based on the desorption of hydrogen at high pressure and its absorption at low pressure by a metal hydride. This work is devoted to study a concept of the dynamic behavior of a metal hydride pump using unsteady model and LaNi5 as hydriding alloy. This study shows that with MHP, it is possible to pump 340l/kg-cycle of water in 15 000s using 1 Kg of LaNi5 at a desorption temperature of 360 K, a pumping head equal to 5 m and a desorption gear ratio equal to 33. This study reveals also that the error given by the steady model, using LaNi5 is about 2%.A dimensional mathematical model and the governing equations of the pump were presented to predict the coupled heat and mass transfer within the MHP. Then, a numerical simulation is carried out to present the time evolution of the specific water discharge and to test the effect of different parameters (desorption temperature, absorption temperature, desorption gear ratio) on the performance of the water pumping system (specific water discharge, pumping efficiency and pumping time). In addition, a comparison between results obtained with steady and unsteady model is performed with different hydride mass. Finally, a geometric configuration of the reactor is simulated to optimize the pumping time.

Keywords: Dynamic behavior, unsteady model, LaNi5, performance of the water pumping system.

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Authors: S. Aziz, B. Alexander, C. Gengnagel, S. Weinzierl

Abstract:

This paper explores a generative design, simulation, and optimization workflow for the integration of acoustical diffuser and/or absorber geometry with embedded coupled Helmholtz-resonators for full scale 3D printed building components. Large-scale additive manufacturing in conjunction with algorithmic CAD design tools enables a vast amount of control when creating geometry. This is advantageous regarding the increasing demands of comfort standards for indoor spaces and the use of more resourceful and sustainable construction methods and materials. The presented methodology highlights these new technological advancements and offers a multimodal and integrative design solution with the potential for an immediate application in the AEC-Industry. In principle, the methodology can be applied to a wide range of structural elements that can be manufactured by additive manufacturing processes. The current paper focuses on a case study of an application for a biaxial load-bearing beam grillage made of reinforced concrete, which allows for a variety of applications through the combination of additive prefabricated semi-finished parts and in-situ concrete supplementation. The semi-prefabricated parts or formwork bodies form the basic framework of the supporting structure and at the same time have acoustic absorption and diffusion properties that are precisely acoustically programmed for the space underneath the structure. To this end, a hybrid validation strategy is being explored using a digital and cross-platform simulation environment, verified with physical prototyping. The iterative workflow starts with the generation of a parametric design model for the acoustical geometry using the algorithmic visual scripting editor Grasshopper3D inside the Building Information Modeling (BIM) software Revit. Various geometric attributes (i.e., bottleneck and cavity dimensions) of the resonator are parameterized and fed to a numerical optimization algorithm which can modify the geometry with the goal of increasing absorption at resonance and increasing the bandwidth of the effective absorption range. Using Rhino.Inside and LiveLink for Revit the generative model was imported directly into the Multiphysics simulation environment COMSOL. The geometry was further modified and prepared for simulation in a semi-automated process. The incident and scattered pressure fields were simulated from which the surface normal absorption coefficients were calculated. This reciprocal process was repeated to further optimize the geometric parameters. Subsequently the numerical models were compared to a set of 3D concrete printed physical twin models which were tested in a .25 m x .25 m impedance tube. The empirical results served to improve the starting parameter settings of the initial numerical model. The geometry resulting from the numerical optimization was finally returned to grasshopper for further implementation in an interdisciplinary study.

Keywords: Acoustical design, additive manufacturing, computational design, multimodal optimization.

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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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