Search results for: computational biology

Authors: John B. McQuillen, David F. Chao, Nancy R. Hall, Brian J. Motil, Nengli Zhang

Abstract:

Future space vehicles will require the use of non-toxic, cryogenic propellants, because of the performance advantages over the toxic hypergolic propellants and also because of the environmental and handling concerns. A prototypical capillary flow liquid acquisition device (LAD) for cryogenic propellants was fabricated with a mesh screen, covering a rectangular flow channel with a cylindrical outlet tube, and was tested with liquid oxygen (LOX). In order to better understand the performance in various gravity environments and orientations with different submersion depths of the LAD, a series of computational fluid dynamics (CFD) simulations of LOX flow through the LAD screen channel, including horizontally and vertically submersions of the LAD channel assembly at normal gravity environment was conducted. Gravity effects on the flow field in LAD channel are inspected and analyzed through comparing the simulations.

Keywords: Liquid acquisition device, cryogenic propellants, CFD simulation, vertically submerged screen channel, gravity effects.

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Authors: Oliver Mărunţălu, Gheorghe Lăzăroiu, Elena Elisabeta Manea, Dana Andreya Bondrea, Lăcrămioara Diana Robescu

Abstract:

This paper presents the results obtained by numerical simulation using the software ANSYS CFX-CFD for the air pollutants dispersion in the atmosphere coming from the evacuation of combustion gases resulting from the fuel combustion in an electric thermal power plant. The model uses the Navier-Stokes equation to simulate the dispersion of pollutants in the atmosphere. It is considered as important factors in elaboration of simulation the atmospheric conditions (pressure, temperature, wind speed, wind direction), the exhaust velocity of the combustion gases, chimney height and the obstacles (buildings). Using the air quality monitoring stations it is measured the concentrations of main pollutants (SO2, NOx and PM). The pollutants were monitored over a period of 3 months, after that the average concentration are calculated, which is used by the software. The concentrations are: 8.915 μg/m3 (NOx), 9.587 μg/m3 (SO2) and 42 μg/m3 (PM). A comparison of test data with simulation results demonstrated that CFX was able to describe the dispersion of the pollutant as well the concentration of this pollutants in the atmosphere.

Keywords: Air pollutants, computational fluid dynamics, dispersion, simulation.

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Authors: D. Salari, A. Niaei, P. Chitsaz Yazdi, M. Derakhshani, S. R. Nabavi

Abstract:

This work aims to test the application of computational fluid dynamics (CFD) modeling to fixed bed catalytic cracking reactors. Studies of CFD with a fixed bed design commonly use a regular packing with N=2 to define bed geometry. CFD allows us to obtain a more accurate view of the fluid flow and heat transfer mechanisms present in fixed bed equipment. Naphtha was used as feedstock and the reactor length was 80cm. It is divided in three sections that catalyst bed packed in the middle section of the reactor. The reaction scheme was involved one primary reaction and 24 secondary reactions. Because of high CPU times in these simulations, parallel processing have been used. In this study the coke formation process in fixed bed and empty tube reactor was simulated and coke in these reactors are compared. In addition, the effect of steam ratio and feed flow rate on coke formation was investigated.

Keywords: Coke Formation, CFD Simulation, Fixed Bed, Catalyitic Cracking.

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Authors: S. Raja Balachandar, K.Kannan

Abstract:

A new Meta heuristic approach called "Randomized gravitational emulation search algorithm (RGES)" for solving vertex covering problems has been designed. This algorithm is found upon introducing randomization concept along with the two of the four primary parameters -velocity- and -gravity- in physics. A new heuristic operator is introduced in the domain of RGES to maintain feasibility specifically for the vertex covering problem to yield best solutions. The performance of this algorithm has been evaluated on a large set of benchmark problems from OR-library. Computational results showed that the randomized gravitational emulation search algorithm - based heuristic is capable of producing high quality solutions. The performance of this heuristic when compared with other existing heuristic algorithms is found to be excellent in terms of solution quality.

Keywords: Vertex covering Problem, Velocity, Gravitational Force, Newton's Law, Meta Heuristic, Combinatorial optimization.

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Authors: G. Haupt

Abstract:

Existing literature ondesign reasoning seems to give either one sided accounts on expert design behaviour based on internal processing. In the same way ecological theoriesseem to focus one sidedly on external elementsthat result in a lack of unifying design cognition theory. Although current extended design cognition studies acknowledge the intellectual interaction between internal and external resources, there still seems to be insufficient understanding of the complexities involved in such interactive processes. As such,this paper proposes a novelmulti-directional model for design researchers tomap the complex and dynamic conduct controlling behaviour in which both the computational and ecological perspectives are integrated in a vertical manner. A clear distinction between identified intentional and emerging physical drivers, and relationships between them during the early phases of experts- design process, is demonstrated by presenting a case study in which the model was employed.

Keywords: External representation, early phases, extended design cognition, internal processes and external drivers, conduct controlling behaviour.

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Authors: S. Gao, S. Srirattayawong

Abstract:

In this study, a computational fluid dynamics (CFD) model has been developed for studying the effect of surface roughness profile on the EHL problem. The cylinders contact geometry, meshing and calculation of the conservation of mass and momentum equations are carried out using the commercial software packages ICEMCFD and ANSYS Fluent. The user defined functions (UDFs) for density, viscosity and elastic deformation of the cylinders as the functions of pressure and temperature are defined for the CFD model. Three different surface roughness profiles are created and incorporated into the CFD model. It is found that the developed CFD model can predict the characteristics of fluid flow and heat transfer in the EHL problem, including the main parameters such as pressure distribution, minimal film thickness, viscosity, and density changes. The results obtained show that the pressure profile at the center of the contact area directly relates to the roughness amplitude. A rough surface with kurtosis value of more than 3 has greater influence over the fluctuated shape of pressure distribution than in other cases.

Keywords: CFD, EHL, Kurtosis, Surface roughness.

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Authors: M. Norouzi, M. H. Kayhani, M. R. H. Nobari, M. Karimi Demneh

Abstract:

In this paper, fully developed flow and heat transfer of viscoelastic materials in curved ducts with square cross section under constant heat flux have been investigated. Here, staggered mesh is used as computational grids and flow and heat transfer parameters have been allocated in this mesh with marker and cell method. Numerical solution of governing equations has being performed with FTCS finite difference method. Furthermore, Criminale-Eriksen- Filbey (CEF) constitutive equation has being used as viscoelastic model. CEF constitutive equation is a suitable model for studying steady shear flow of viscoelastic materials which is able to model both effects of the first and second normal stress differences. Here, it is shown that the first and second normal stresses differences have noticeable and inverse effect on secondary flows intensity and mean Nusselt number which is the main novelty of current research.

Keywords: Viscoelastic, fluid flow, heat convection, CEF model, curved duct, square cross section.

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Authors: Urska Cvek, Marjan Trutschl, Randolph Stone II, Zanobia Syed, John L. Clifford, Anita L. Sabichi

Abstract:

Expression data analysis is based mostly on the statistical approaches that are indispensable for the study of biological systems. Large amounts of multidimensional data resulting from the high-throughput technologies are not completely served by biostatistical techniques and are usually complemented with visual, knowledge discovery and other computational tools. In many cases, in biological systems we only speculate on the processes that are causing the changes, and it is the visual explorative analysis of data during which a hypothesis is formed. We would like to show the usability of multidimensional visualization tools and promote their use in life sciences. We survey and show some of the multidimensional visualization tools in the process of data exploration, such as parallel coordinates and radviz and we extend them by combining them with the self-organizing map algorithm. We use a time course data set of transitional cell carcinoma of the bladder in our examples. Analysis of data with these tools has the potential to uncover additional relationships and non-trivial structures.

Keywords: microarrays, visualization, parallel coordinates, radviz, self-organizing maps.

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Authors: C.-C. Tsao, S.-W. Nien, W.-H. Chen , Y.-C. Shih

Abstract:

Indoor air distribution has great impact on people-s thermal sensation. Therefore, how to remove the indoor excess heat becomes an important issue to create a thermally comfortable indoor environment. To expel the extra indoor heat effectively, this paper used a dynamic CFD approach to study the effect of an air-supply guide vane swinging periodically on the indoor air distribution within a model room. The numerical results revealed that the indoor heat transfer performance caused by the swing guide vane had close relation with the number of vortices developing under the inlet cold jet. At larger swing amplitude, two smaller vortices continued to shed outward under the cold jet and remove the indoor heat load more effectively. As a result, it can be found that the average Nusselt number on the floor increased with the increase of the swing amplitude of the guide vane.

Keywords: Computational Fluid Dynamics (CFD), dynamic mesh, heat transfer, indoor air distribution, thermal comfort.

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Authors: J. Šindler, A. Suleng, T. Jelstad Olsen, P. Bárta

Abstract:

A subsea hydrocarbon production system can undergo planned and unplanned shutdowns during the life of the field. The thermal FEA is used to simulate the cool down to verify the insulation design of the subsea equipment, but it is also used to derive an acceptable insulation design for the cold spots. The driving factors of subsea analyses require fast responding and accurate models of the equipment cool down. This paper presents cool down analysis carried out by a Krylov subspace reduction method, and compares this approach to the commonly used FEA solvers. The model considered represents a typical component of a subsea production system, a closed valve on a dead leg. The results from the Krylov reduction method exhibits the least error and requires the shortest computational time to reach the solution. These findings make the Krylov model order reduction method very suitable for the above mentioned subsea applications.

Keywords: Model order reduction, Krylov subspace, subsea production system, finite element.

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Authors: A. M. Gheitaghy, H. Saffari, G. Q. Zhang

Abstract:

Numerical approach based on the electrical simulation method is proposed to solve a nonlinear transient heat conduction problem with nonlinear boundary for a spherical body. This problem represents a strong nonlinearity in both the governing equation for temperature dependent thermal property and the boundary condition for combined convective and radiative cooling. By analysing the equivalent electrical model using the electrical circuit simulation program HSPICE, transient temperature and heat flux distributions at sphere can be obtained easily and fast. The solutions clearly illustrate the effect of the radiation-conduction parameter N_rc, the Biot number and the linear coefficient of temperature dependent conductivity and heat capacity. On comparing the results with corresponding numerical solutions, the accuracy and efficiency of this computational method is found to be good.

Keywords: Convective boundary, radiative boundary, electrical simulation method, nonlinear heat conduction, spherical coordinate.

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Authors: Young S. Bang, Dong H. Yoon, Seung H. Yoo

Abstract:

Emergency Core Coolant Bypass (ECC Bypass) has been regarded as an important phenomenon to peak cladding temperature of large-break loss-of-coolant-accidents (LBLOCA) in nuclear power plants (NPP). A modeling scheme to address the ECC Bypass phenomena and the calculation of LBLOCA using that scheme are discussed in the present paper. A hydraulic form loss coefficient (HFLC) from the reactor vessel downcomer to the broken cold leg is predicted by the computational fluid dynamics (CFD) code with a variation of the void fraction incoming from the downcomer. The maximum, mean, and minimum values of FLC are derived from the CFD results and are incorporated into the LBLOCA calculation using a system thermal-hydraulic code, MARS-KS. As a relevant parameter addressing the ECC Bypass phenomena, the FLC to the break and its range are proposed.

Keywords: CFD analysis, ECC Bypass, hydraulic form loss coefficient, system thermal-hydraulic code.

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Authors: B. Falah, N. E. Abakouy

Abstract:

Due to its high computational cost, mutation testing has been neglected by researchers. Recently, many cost and mutants’ reduction techniques have been developed, improved, and experimented, but few of them has relied the possibility of reducing the cost of mutation testing on the program type of the application under test. This paper is a comparative study between four operators’ selection techniques (mutants sampling, class level operators, method level operators, and all operators’ selection) based on the program code type of each application under test. It aims at finding an alternative approach to reveal the effect of code type on mutation testing score. The result of our experiment shows that the program code type can affect the mutation score and that the programs using polymorphism are best suited to be tested with mutation testing.

Keywords: Equivalent mutant, killed mutant, mutation score, mutation testing, program code type.

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Authors: Uzu-Kuei Hsu, Keh-Chin Chang, Joo-Guan Hang

Abstract:

Carbon Deposits are often occurred inside the industrial coke oven during coking process. Accumulation of carbon deposits may cause a big issue, which seriously influences the coking operation. The carbon is burning off by injecting fresh air through pipes into coke oven which is an efficient way practically operated in industries. The burning off carbon deposition in coke oven performed by Computational Fluid Dynamics (CFD) method has provided an evaluation of the feasibility study. A three dimensional, transient, turbulent reacting flow simulation has performed with three different injecting air flow rate and another kind of injecting configuration. The result shows that injection higher air flow rate would effectively reduce the carbon deposits. In the meantime, the opened charging holes would suck extra oxygen from atmosphere to participate in reactions. In term of coke oven operating limits, the wall temperatures are monitored to prevent over-heating of the adiabatic walls during burn-off process.

Keywords: Coke oven, burning off, carbon deposits, carbon combustion, CFD.

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Authors: T. Sanches, K. Bousson

Abstract:

As part of the development of a 4D autopilot system for unmanned aerial vehicles (UAVs), i.e. a time-dependent robust trajectory generation and control algorithm, this work addresses the problem of optimal path control based on the flight sensors data output that may be unreliable due to noise on data acquisition and/or transmission under certain circumstances. Although several filtering methods, such as the Kalman-Bucy filter or the Linear Quadratic Gaussian/Loop Transfer Recover Control (LQG/LTR), are available, the utter complexity of the control system, together with the robustness and reliability required of such a system on a UAV for airworthiness certifiable autonomous flight, required the development of a proper robust filter for a nonlinear system, as a way of further mitigate errors propagation to the control system and improve its ,performance. As such, a nonlinear algorithm based upon the LQG/LTR, is validated through computational simulation testing, is proposed on this paper.

Keywords: Autonomous flight, LQG/LTR, nonlinear state estimator, robust flight control and stability.

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Authors: A. A. Hossam-Eldin, E. N. Abdallah, M. S. El-Nozahy

Abstract:

The identification and elimination of bad measurements is one of the basic functions of a robust state estimator as bad data have the effect of corrupting the results of state estimation according to the popular weighted least squares method. However this is a difficult problem to handle especially when dealing with multiple errors from the interactive conforming type. In this paper, a self adaptive genetic based algorithm is proposed. The algorithm utilizes the results of the classical linearized normal residuals approach to tune the genetic operators thus instead of making a randomized search throughout the whole search space it is more likely to be a directed search thus the optimum solution is obtained at very early stages(maximum of 5 generations). The algorithm utilizes the accumulating databases of already computed cases to reduce the computational burden to minimum. Tests are conducted with reference to the standard IEEE test systems. Test results are very promising.

Keywords: Bad Data, Genetic Algorithms, Linearized Normal residuals, Observability, Power System State Estimation.

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Authors: Keny Ordaz-Hernandez, Xavier Fischer, Fouad Bennis

Abstract:

In a particular case of behavioural model reduction by ANNs, a validity domain shortening has been found. In mechanics, as in other domains, the notion of validity domain allows the engineer to choose a valid model for a particular analysis or simulation. In the study of mechanical behaviour for a cantilever beam (using linear and non-linear models), Multi-Layer Perceptron (MLP) Backpropagation (BP) networks have been applied as model reduction technique. This reduced model is constructed to be more efficient than the non-reduced model. Within a less extended domain, the ANN reduced model estimates correctly the non-linear response, with a lower computational cost. It has been found that the neural network model is not able to approximate the linear behaviour while it does approximate the non-linear behaviour very well. The details of the case are provided with an example of the cantilever beam behaviour modelling.

Keywords: artificial neural network, validity domain, cantileverbeam, non-linear behaviour, model reduction.

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Authors: Yousif Naif Almutai, Yajue Wu

Abstract:

In larger cities worldwide, mass transportation systems, including underground systems, have grown to account for the majority of travel in those settings. Underground networks are vulnerable to fires, however, endangering travellers’ safety, with various examples of fire outbreaks in this setting. This study aims to increase knowledge of the impacts of extreme climatic conditions on fires, including the role of the high ambient temperatures experienced in Middle Eastern countries and specifically in Saudi Arabia. This is an element that is not always included when assessments of fire safety are made (considering visibility, temperatures, and flows of smoke). This paper focuses on a tunnel within Riyadh’s underground system as a case study and includes simulations based on computational fluid dynamics using ANSYS Fluent, which investigates the impact of various ventilation systems while identifying smoke density, speed, pressure and temperatures within this tunnel.

Keywords: Fire, subway tunnel, CFD, ventilation, smoke concentration, harsh weather.

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Authors: V.K.Ananthashayana, Pushpa.M.K

Abstract:

In this paper a new Joint Adaptive Block Matching Search (JABMS) algorithm is proposed to generate motion vector and search a best match macro block by classifying the motion vector movement based on prediction error. Diamond Search (DS) algorithm generates high estimation accuracy when motion vector is small and Adaptive Rood Pattern Search (ARPS) algorithm can handle large motion vector but is not very accurate. The proposed JABMS algorithm which is capable of considering both small and large motions gives improved estimation accuracy and the computational cost is reduced by 15.2 times compared with Exhaustive Search (ES) algorithm and is 1.3 times less compared with Diamond search algorithm.

Keywords: Adaptive rood pattern search, Block matching, Diamond search, Joint Adaptive search, Motion estimation.

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Authors: M. Raciti Castelli, G. Grandi, E. Benini

Abstract:

This paper presents a study of laminar to turbulent transition on a profile specifically designed for wind turbine blades, the DU91-W2-250, which belongs to a class of wind turbine dedicated airfoils, developed by Delft University of Technology. A comparison between the experimental behavior of the airfoil studied at Delft wind tunnel and the numerical predictions of the commercial CFD solver ANSYS FLUENT® has been performed. The prediction capabilities of the Spalart-Allmaras turbulence model and of the γ-θ Transitional model have been tested. A sensitivity analysis of the numerical results to the spatial domain discretization has also been performed using four different computational grids, which have been created using the mesher GAMBIT®. The comparison between experimental measurements and CFD results have allowed to determine the importance of the numerical prediction of the laminar to turbulent transition, in order not to overestimate airfoil friction drag due to a fully turbulent-regime flow computation.

Keywords: CFD, wind turbine, DU91-W2-250, laminar to turbulent transition.

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Authors: M. S. Meon, M. N. Rao, K-U. Schröder

Abstract:

Mechanical fasteners especially bolting is commonly used in joining carbon-fiber reinforced polymer (CFRP) composite structures due to their good joinability and easy for maintenance characteristics. Since this approach involves with notching, a proper progressive damage model (PDM) need to be implemented and verified to capture existence of damages in the structure. A three dimensional (3D) failure criteria of Puck is established to predict the ultimate bearing failure of such joint. The failure criteria incorporated with degradation scheme are coded based on user subroutine executed in Abaqus. Single lap joint (SLJ) of composite bolted joint is used as target configuration. The results revealed that the PDM adopted here could sufficiently predict the behaviour of composite bolted joint up to ultimate bearing failure. In addition, mesh refinement near holes increased the accuracy of predicted strength as well as computational effort.

Keywords: Bearing strength, bolted joint, degradation scheme, progressive damage model.

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Authors: A. H. Azni, Madihah Mohd Saudi, Azreen Azman, Ariff Syah Johari

Abstract:

Sensor Network are emerging as a new tool for important application in diverse fields like military surveillance, habitat monitoring, weather, home electrical appliances and others. Technically, sensor network nodes are limited in respect to energy supply, computational capacity and communication bandwidth. In order to prolong the lifetime of the sensor nodes, designing efficient routing protocol is very critical. In this paper, we illustrate the existing routing protocol for wireless sensor network using data centric approach and present performance analysis of these protocols. The paper focuses in the performance analysis of specific protocol namely Directed Diffusion and SPIN. This analysis reveals that the energy usage is important features which need to be taken into consideration while designing routing protocol for wireless sensor network.

Keywords: Data Centric Approach, Directed Diffusion, SPIN WSN Routing Protocol.

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Authors: M. A. Aziz, M. A. Imteaz, J. Naser, D. I. Phillips

Abstract:

Some of the major concerns regarding sewer overflows to receiving water bodies include serious environmental, aesthetic and public health problems. A noble self-cleansing sewer overflow screening device having a sewer overflow chamber, a rectangular tank and a slotted ogee weir to capture the gross pollutants has been investigated. Computational Fluid Dynamics (CFD) techniques are used to simulate the flow phenomena with two different inlet orientations; parallel and perpendicular to the weir direction. CFD simulation results are compared with analytical results. Numerical results show that the flow is not uniform (across the width of the inclined surface) near the top of the inclined surface. The flow becomes uniform near the bottom of the inclined surface, with significant increase of shear stress. The simulation results promises for an effective and efficient self-cleansing sewer overflow screening device by comparing hydrodynamic results.

Keywords: Hydrodynamic Characteristics, Ogee Spillway, Screening, Sewer Overflow Device.

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Authors: Somayeh Sadeghi, Hamid A. Jalab, Sajjad Dadkhah

Abstract:

Due to availability of powerful image processing software and improvement of human computer knowledge, it becomes easy to tamper images. Manipulation of digital images in different fields like court of law and medical imaging create a serious problem nowadays. Copy-move forgery is one of the most common types of forgery which copies some part of the image and pastes it to another part of the same image to cover an important scene. In this paper, a copy-move forgery detection method proposed based on Fourier transform to detect forgeries. Firstly, image is divided to same size blocks and Fourier transform is performed on each block. Similarity in the Fourier transform between different blocks provides an indication of the copy-move operation. The experimental results prove that the proposed method works on reasonable time and works well for gray scale and colour images. Computational complexity reduced by using Fourier transform in this method.

Keywords: Copy-Move forgery, Digital Forensics, Image Forgery.

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Authors: A. Benarous, D. Karmed, R. Haoui, A. Liazid

Abstract:

The process for predicting the ballistic properties of a liquid rocket engine is based on the quantitative estimation of idealized performance deviations. In this aim, an equilibrium chemistry procedure is firstly developed and implemented in a Fortran routine. The thermodynamic formulation allows for the calculation of the theoretical performances of a rocket thrust chamber. In a second step, a computational fluid dynamic analysis of the turbulent reactive flow within the chamber is performed using a finite volume approach. The obtained values for the “quasi-real" performances account for both turbulent mixing and chemistryturbulence coupling. In the present work, emphasis is made on the combustion efficiency performance for which deviation is mainly due to radial gradients of static temperature and mixture ratio. Numerical values of the characteristic velocity are successfully compared with results from an industry-used code. The results are also confronted with the experimental data of a laboratory-scale rocket engine.

Keywords: JANAF methodology, Liquid rocket engine, Mascotte test-rig, Theoretical performances.

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Authors: Ibrahim Beldjilali, Adel Ghenaiet

Abstract:

The contra-rotating axial machine is a promising solution for several applications, where high pressure and efficiencies are needed. Also, they allow reducing the speed of rotation, the radial spacing and a better flexibility of use. However, this requires a better understanding of their operation, including the influence of second rotor on the overall aerodynamic performances. This work consisted of both experimental and numerical studies to characterize this counter-rotating fan, especially the analysis of the effects of the blades stagger angle and the inter-distance between the rotors. The experimental study served to validate the computational fluid dynamics model (CFD) used in the simulations. The numerical study permitted to cover a wider range of parameter and deeper investigation on flow structures details, including the effects of blade stagger angle and inter-distance, associated with the interaction between the rotors. As a result, there is a clear improvement in aerodynamic performance compared with a conventional machine.

Keywords: Aerodynamic performance, axial fan, counter rotating rotors, CFD, experimental study.

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Authors: Mohammad Hadi Bordbar, Timo Hyppänen

Abstract:

The radiative exchange method is introduced as a numerical method for the simulation of radiative heat transfer in an absorbing, emitting and isotropically scattering media. In this method, the integro-differential radiative balance equation is solved by using a new introduced concept for the exchange factor. Even though the radiative source term is calculated in a mesh structure that is coarser than the structure used in computational fluid dynamics, calculating the exchange factor between different coarse elements by using differential integration elements makes the result of the method close to that of integro-differential radiative equation. A set of equations for calculating exchange factors in two and threedimensional Cartesian coordinate system is presented, and the method is used in the simulation of radiative heat transfer in twodimensional rectangular case and a three-dimensional simple cube. The result of using this method in simulating different cases is verified by comparing them with those of using other numerical radiative models.

Keywords: Exchange factor, Numerical simulation, Thermal radiation.

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Authors: Tayeb Bensattalah, Mohamed Zidour, Mohamed Ait Amar Meziane, Tahar Hassaine Daouadji, Abdelouahed Tounsi

Abstract:

In this paper, the Differential Transform Method (DTM) is employed to predict and to analysis the non-local critical buckling loads of carbon nanotubes with various end conditions and the non-local Timoshenko beam described by single differential equation. The equation differential of buckling of the nanobeams is derived via a non-local theory and the solution for non-local critical buckling loads is finding by the DTM. The DTM is introduced briefly. It can easily be applied to linear or nonlinear problems and it reduces the size of computational work. Influence of boundary conditions, the chirality of carbon nanotube and aspect ratio on non-local critical buckling loads are studied and discussed. Effects of nonlocal parameter, ratios L/d, the chirality of single-walled carbon nanotube, as well as the boundary conditions on buckling of CNT are investigated.

Keywords: Boundary conditions, buckling, non-local, the differential transform method.

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Authors: A.Seif, H.Aghaie, K.Majlesi

Abstract:

A computational study at the level density functional theory (DFT) was carried out to investigate the influences of Si and C-doping on the 14N and 27Al quadrupole coupling constant in the (10, 0) zigzag single ? walled Aluminum-Nitride nanotube (AlNNT). To this aim, a 1.16nm, length of AlNNT consisting of 40 Al atoms and 40 N atoms were selected where the end atoms are capped by hydrogen atom. To follow the purpose, three Si atoms and three C atoms were doped instead of three Al atoms and three N atoms as a central ring in the surface of the Si and C-doped AlNNT. At first both of systems optimized at the level of BLYP method and 6-31G (d) basis set and after that, the NQR parameters were calculated at the level BLYP method and 6-311+G** basis set in two optimized forms. The calculate CQ values for both optimized AlNNT systems, raw and Si and C-doped, reveal different electronic environments in the mentioned systems. It was also demonstrated that the end nuclei have the largest CQ values in both considered AlNNT systems. All the calculations were carried out using Gaussian 98 package of program.

Keywords: DFT, Quadrupole Coupling Constant, Si and CDoping, Single-Walled AlN nanotubes.

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Authors: Anant Lal, M. Elangovan

Abstract:

A general purpose viscous flow solver Ansys CFX was used to solve the unsteady three-dimensional (3D) Reynolds Averaged Navier-Stokes Equation (RANSE) for simulating a 3D numerical viscous wave tank. A flap-type wave generator was incorporated in the computational domain to generate the desired incident waves. Authors have made effort to study the physical behaviors of Flap type wave maker with governing parameters. Dependency of the water fill depth, Time period of oscillations and amplitude of oscillations of flap were studied. Effort has been made to establish relations between parameters. A validation study was also carried out against CFD methodology with wave maker theory. It has been observed that CFD results are in good agreement with theoretical results. Beaches of different slopes were introduced to damp the wave, so that it should not cause any reflection from boundary. As a conclusion this methodology can simulate the experimental wave-maker for regular wave generation for different wave length and amplitudes.

Keywords: CFD, RANSE, Flap type, wave-maker, VOF, seakeeping, numerical method.

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