Search results for: Poisson_ Schrödinger solver

Authors: Marco Antonio Cruz-Chávez, Juan Frausto-Solís, Fernando Ramos-Quintana

Abstract:

A procedure commonly used in Job Shop Scheduling Problem (JSSP) to evaluate the neighborhoods functions that use the non-deterministic algorithms is the calculation of the critical path in a digraph. This paper presents an experimental study of the cost of computation that exists when the calculation of the critical path in the solution for instances in which a JSSP of large size is involved. The results indicate that if the critical path is use in order to generate neighborhoods in the meta-heuristics that are used in JSSP, an elevated cost of computation exists in spite of the fact that the calculation of the critical path in any digraph is of polynomial complexity.

Keywords: Job Shop, CPM, critical path, neighborhood, meta-heuristic.

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Authors: Norhashidah Hj. Mohd Ali, Teng Wai Ping

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In this paper, the formulation of a new group explicit method with a fourth order accuracy is described in solving the two dimensional Helmholtz equation. The formulation is based on the nine-point fourth order compact finite difference approximation formula. The complexity analysis of the developed scheme is also presented. Several numerical experiments were conducted to test the feasibility of the developed scheme. Comparisons with other existing schemes will be reported and discussed. Preliminary results indicate that this method is a viable alternative high accuracy solver to the Helmholtz equation.

Keywords: Explicit group method, finite difference, Helmholtz equation, five-point formula, nine-point formula.

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Authors: Aditi Shukla, Ambarish S. Vidyarthi, Subir Samanta

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The worldwide prevalence of H3N2 influenza virus and its increasing resistance to the existing drugs necessitates for the development of an improved/better targeting anti-influenza drug. H3N2 influenza neuraminidase is one of the two membrane-bound proteins belonging to group-2 neuraminidases. It acts as key player involved in viral pathogenicity and hence, is an important target of anti-influenza drugs. Oseltamivir is one of the potent drugs targeting this neuraminidase. In the present work, we have taken subtype N2 neuraminidase as the receptor and probable analogs of oseltamivir as drug molecules to study the protein-drug interaction in anticipation of finding efficient modified candidate compound. Oseltamivir analogs were made by modifying the functional groups using Marvin Sketch software and were docked using Schrodinger-s Glide. Oseltamivir analog 10 was detected to have significant energy value (16% less compared to Oseltamivir) and could be the probable lead molecule. It infers that some of the modified compounds can interact in a novel manner with increased hydrogen bonding at the active site of neuraminidase and it might be better than the original drug. Further work can be carried out such as enzymatic inhibition studies; synthesis and crystallizing the drug-target complex to analyze the interactions biologically.

Keywords: H3N2 Influenza, Neuraminidase, Oseltamiviranalogs, structure based drug designing

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Authors: C. E. Nugraheni, L. Abednego

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This paper introduces a framework based on the collaboration of multi agent and hyper-heuristics to find a solution of the real single machine production problem. There are many techniques used to solve this problem. Each of it has its own advantages and disadvantages. By the collaboration of multi agent system and hyper-heuristics, we can get more optimal solution. The hyper-heuristics approach operates on a search space of heuristics rather than directly on a search space of solutions. The proposed framework consists of some agents, i.e. problem agent, trainer agent, algorithm agent (GPHH, GAHH, and SAHH), optimizer agent, and solver agent. Some low level heuristics used in this paper are MRT, SPT, LPT, EDD, LDD, and MON

Keywords: Hyper-heuristics, multi-agent systems, scheduling problem.

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Authors: Choon Ki Ahn, Jung Hun Park, Wook Hyun Kwon

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CEMTool is a command style design and analyzing package for scientific and technological algorithm and a matrix based computation language. In this paper, we present new 2D & 3D finite element method (FEM) packages for CEMTool. We discuss the detailed structures and the important features of pre-processor, solver, and post-processor of CEMTool 2D & 3D FEM packages. In contrast to the existing MATLAB PDE Toolbox, our proposed FEM packages can deal with the combination of the reserved words. Also, we can control the mesh in a very effective way. With the introduction of new mesh generation algorithm and fast solving technique, our FEM packages can guarantee the shorter computational time than MATLAB PDE Toolbox. Consequently, with our new FEM packages, we can overcome some disadvantages or limitations of the existing MATLAB PDE Toolbox.

Keywords: CEMTool, Finite element method (FEM), Numericalanalysis, Partial differential equation (PDE)

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Authors: Ahmet Selim Durna, Bayram Celik, Aydin Misirlioglu

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Flows over a harmonically oscillating NACA 0012 airfoil are simulated here using a two-dimensional, unsteady, incompressibleNavier-Stokes solver.Both pure-plunging and pitching-plunging combined oscillations are considered at a Reynolds number of 5000. Special attention is paid to the vortex shedding and interaction mechanism of the motions. For all the simulations presented here, the reduced frequency (k) is fixed at a value of 2.5 and plunging amplitude (h) is selected to be in the range of 0.2-0.5. The simulation results show that the interaction mechanism between the leading and trailing edge vortices has a decisive effect on the values of the resulting thrust and propulsive efficiency.

Keywords: pithing and plunging airfoil, leading edge vortex, trailing edge vortex, vortex interaction, wake structure.

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Authors: N. M. Thao, I. Dolguntseva, M. Leijon

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Flow blockages referring to the increase in flow are being considered as a vital equipment for marine current energy conversion. However, the shape of these devices will result in extracted energy under the operation. The present work investigates the effect of two configurations of a grating, convergent and divergent that located upstream, to the water flow velocity. The flow characteristics are studied by Computational Fluid Dynamic simulation by using the ANSYS Fluent solver for these specified arrangements of the grating. The results indicate that distinguished characteristics of flow velocity between “convergent” and “divergent” grating placements is up to 10% in confined conditions. Furthermore, the velocity in case of convergent grating is higher than that of divergent grating.

Keywords: Marine current energy, marine current energy converter, turbine grating, RANS simulation, water flow velocity.

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Authors: A. M. Tahsini, S. Tadayon Mousavi

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The purpose of the present study is to analyze the effect of the target plate-s curvature on the heat transfer in laminar confined impinging jet flows. Numerical results from two dimensional compressible finite volume solver are compared between three different shapes of impinging plates: Flat, Concave and Convex plates. The remarkable result of this study proves that the stagnation Nusselt number in laminar range of Reynolds number based on the slot width is maximum in convex surface and is minimum in concave plate. These results refuse the previous data in literature stating the amount of the stagnation Nusselt number is greater in concave surface related to flat plate configuration.

Keywords: Concave, Convex, Heat transfer, Impinging jet, Laminar flow.

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Authors: Ei Ei Phyu, Kyaw Myo Lin, Thin Thin Moe

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The paper presents an approach to improve the reliability and reduce line losses of practical distribution system applying network reconfiguration. The change of the topology redirects the power flow within the distribution network to obtain better performance of the system. Practical distribution network (Pyigyitagon Industrial Zone (I)) is used as the case study network. The detailed calculations of the reliability indices are done by using analytical method and power flow calculation is performed by Newton-Rephason solver. The comparison of various network reconfiguration techniques are described with respect to power loss and reliability index levels. Finally, the optimal reconfigured network is selected among difference cases based on the two factors: the most reliable network and the least loss minimization.

Keywords: Distribution system reliability, loss reduction, network reconfiguration, reliability enhancement, reliability indices.

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Authors: A. Chaudhuri, C. Guha, T. K. Dutta

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Pressure driven microscale gas flow-separation has been investigated by solving the compressible Navier-Stokes (NS) system of equations. A two dimensional explicit finite volume (FV) compressible flow solver has been developed using modified advection upwind splitting methods (AUSM+) with no-slip/first order Maxwell-s velocity slip conditions to predict the flowseparation behavior in microdimensions. The effects of scale-factor of the flow geometry and gas species on the microscale gas flowseparation have been studied in this work. The intensity of flowseparation gets reduced with the decrease in scale of the flow geometry. In reduced dimension, flow-separation may not at all be present under similar flow conditions compared to the larger flow geometry. The flow-separation patterns greatly depend on the properties of the medium under similar flow conditions.

Keywords: AUSM+, FVM, Flow-separation, Microflow.

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Authors: Aymen Laadhari, Gábor Székely

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In this work, the hemodynamics in the sinuses of Valsalva after Transcatheter Aortic Valve Implantation is numerically examined. We focus on the physical results in the two-dimensional case. We use a finite element methodology based on a Lagrange multiplier technique that enables to couple the dynamics of blood flow and the leaflets’ movement. A massively parallel implementation of a monolithic and fully implicit solver allows more accuracy and significant computational savings. The elastic properties of the aortic valve are disregarded, and the numerical computations are performed under physiologically correct pressure loads. Computational results depict that blood flow may be subject to stagnation in the lower domain of the sinuses of Valsalva after Transcatheter Aortic Valve Implantation.

Keywords: Hemodynamics, Transcatheter Aortic Valve Implantation, blood flow stagnation, numerical simulations.

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Authors: Raphael Zanella, Todd A. Oliver, Karl W. Schulz

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This work deals with the finite element approximation of axisymmetric compressible flows with swirl velocity. We are interested in problems where the flow, while weakly dependent on the azimuthal coordinate, may have a strong azimuthal velocity component. We describe the approximation of the compressible Navier-Stokes equations with H1-conformal spaces of axisymmetric functions. The weak formulation is implemented in a C++ solver with explicit time marching. The code is first verified with a convergence test on a manufactured solution. The verification is completed by comparing the numerical and analytical solutions in a Poiseuille flow case and a Taylor-Couette flow case. The code is finally applied to the problem of a swirling subsonic air flow in a plasma torch geometry.

Keywords: Axisymmetric problem, compressible Navier- Stokes equations, continuous finite elements, swirling flow.

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Authors: R.S Pugazenthi, Andy C. McIntosh

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Plasma Wind Tunnels (PWT) are extensively used for screening and qualification of re-entry Thermel Protection System (TPS) materials. Proper design of a supersonic diffuser for plasma wind tunnel is of importance for achieving good pressurerecovery (thereby reducing vacuum pumping requirement & run time costs) and isolating downstream stream fluctuations from propagating costs) and isolating downstream stream fluctuationnts the details of a rapid design methodology successfully employed for designing supersonic diffuser for high power (several megawatts)plasma wind tunnels and numerical performance analysis of a diffuser configuration designed for one megawatt power rated plasma wind tunnel(enthalpy ~ 30 MJ/kg) using FLUENT 6.3® solver for different diffuser operating sub-atmospheric back-pressures.

Keywords: Compressible flow, plasma wind tunnel, re-entry, supersonic diffuser

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Authors: Tami Alghamdi, Terence Soule

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To study how to transfer knowledge from multiple source problems to the target problem, we modeled the Transfer Learning (TL) process using Genetic Algorithms as the model solver. TL is the process that aims to transfer learned data from one problem to another problem. The TL process aims to help Machine Learning (ML) algorithms find a solution to the problems. The Genetic Algorithms (GA) give researchers access to information that we have about how the old problem is solved. In this paper, we have five different source problems, and we transfer the knowledge to the target problem. We studied different scenarios of the target problem. The results showed that combined knowledge from multiple source problems improves the GA performance. Also, the process of combining knowledge from several problems results in promoting diversity of the transferred population.

Keywords: Transfer Learning, Multiple Sources, Knowledge Transfer, Domain Adaptation, Source, Target.

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Authors: Muhammad Amjad Sohail, Rizwan Ullah

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This research paper presents the CFD analysis of oscillating airfoil during pitch cycle. Unsteady subsonic flow is simulated for pitching airfoil at Mach number 0.283 and Reynolds number 3.45 millions. Turbulent effects are also considered for this study by using K-ω SST turbulent model. Two-dimensional unsteady compressible Navier-Stokes code including two-equation turbulence model and PISO pressure velocity coupling is used. Pressure based implicit solver with first order implicit unsteady formulation is used. The simulated pitch cycle results are compared with the available experimental data. The results have a good agreement with the experimental data. Aerodynamic characteristics during pitch cycles have been studied and validated.

Keywords: Angle of attack, Centre of pressure, subsonic flow, pitching moment coefficient, turbulence mode

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Authors: Mandhapati P. Raju, Siddhartha Khaitan

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In-core memory requirement is a bottleneck in solving large three dimensional Navier-Stokes finite element problem formulations using sparse direct solvers. Out-of-core solution strategy is a viable alternative to reduce the in-core memory requirements while solving large scale problems. This study evaluates the performance of various out-of-core sequential solvers based on multifrontal or supernodal techniques in the context of finite element formulations for three dimensional problems on a Windows platform. Here three different solvers, HSL_MA78, MUMPS and PARDISO are compared. The performance of these solvers is evaluated on a 64-bit machine with 16GB RAM for finite element formulation of flow through a rectangular channel. It is observed that using out-of-core PARDISO solver, relatively large problems can be solved. The implementation of Newton and modified Newton's iteration is also discussed.

Keywords: Out-of-core, PARDISO, MUMPS, Newton.

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Authors: Maciej Paszynski, Leszek Demkowicz, Jason Kurtz

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In this paper, a new formulation for acoustics coupled with linear elasticity is presented. The primary objective of the work is to develop a three dimensional hp adaptive finite element method code destinated for modeling of acoustics of human head. The code will have numerous applications e.g. in designing hearing protection devices for individuals working in high noise environments. The presented work is in the preliminary stage. The variational formulation has been implemented and tested on a sequence of meshes with concentric multi-layer spheres, with material data representing the tissue (the brain), skull and the air. Thus, an efficient solver for coupled elasticity/acoustics problems has been developed, and tested on high contrast material data representing the human head.

Keywords: finite element method, acoustics, coupled problems, biomechanics

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Authors: Aymen Laadhari

Abstract:

We present in this paper a fully implicit finite element method tailored for the numerical modeling of inextensible fluidic membranes in a surrounding Newtonian fluid. We consider a highly simplified version of the Canham-Helfrich model for phospholipid membranes, in which the bending force and spontaneous curvature are disregarded. The coupled problem is formulated in a fully Eulerian framework and the membrane motion is tracked using the level set method. The resulting nonlinear problem is solved by a Newton-Raphson strategy, featuring a quadratic convergence behavior. A monolithic solver is implemented, and we report several numerical experiments aimed at model validation and illustrating the accuracy of the proposed method. We show that stability is maintained for significantly larger time steps with respect to an explicit decoupling method.

Keywords: Finite element method, Newton method, level set, Navier-Stokes, inextensible membrane, liquid drop.

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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: Anil Kumar Pandey

Abstract:

Power plane noise is the most significant source of signal integrity (SI) issues in a high-speed digital design. In this paper, power integrity (PI) analysis of multiple power planes in a power delivery system of a 12-layer high-speed FPGA board is presented. All 10 power planes of HSD board are analyzed separately by using 3D Electromagnetic based PI solver, then the transient simulation is performed on combined PI data of all planes along with voltage regulator modules (VRMs) and 70 current drawing chips to get the board level power noise coupling on different high-speed signals. De-coupling capacitors are placed between power planes and ground to reduce power noise coupling with signals.

Keywords: Channel simulation, electromagnetic simulation, power-aware signal integrity analysis, power integrity, PIPro.

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Authors: Oke Oktavianty, Tadayuki Kyoutani, Shigeyuki Haruyama, Junji Kaneko, Ken Kaminishi

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Modelica has many advantages and it is very useful in modeling and simulation especially for the multi-domain with a complex technical system. However, the big obstacle for a beginner is to understand the basic concept and to build a new system model for a real system. In order to understand how to solve the simple circuit model by hand translation and to get a better understanding of how modelica works, we provide a detailed explanation about solver ordering system in horizontal and vertical sorting and make some proposals for improvement. In this study, some difficulties in using modelica software with the original concept and the comparison with Finite Element Method (FEM) approach is discussed. We also present our textual modeling approach using FEM concept for acausal and causal model construction. Furthermore, simulation results are provided that demonstrate the comparison between using textual modeling with original coding in modelica and FEM concept.

Keywords: FEM, acausal model, modelica, horizontal and vertical sorting.

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Authors: Hemant Kumawat

Abstract:

Axial flow fans, while incapable of developing high pressures, they are well suitable for handling large volumes of air at relatively low pressures. In general, they are low in cost and possess good efficiency, and can have blades of airfoil shape. Axial flow fans show good efficiencies, and can operate at high static pressures if such operation is necessary. Our objective is to model and analyze the flow through AXIAL FANS using CFD Software and draw inference from the obtained results, so as to get maximum efficiency. The performance of an axial fan was simulated using CFD and the effect of variation of different parameters such as the blade number, noise level, velocity, temperature and pressure distribution on the blade surface was studied. This paper aims to present a final 3D CAD model of axial flow fan. Adapting this model to the available components in the market, the first optimization was done. After this step, CFX flow solver is used to do the necessary numerical analyses on the aerodynamic performance of this model. This analysis results in a final optimization of the proposed 3D model which is presented in this article.

Keywords: ANSYS CFX, Axial Fan, Computational Fluid Dynamics (CFD), Optimization.

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Authors: Mehdi Ghommem, Daniel Garcia, Nathan Collier, Victor Calo

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We develop a fast, user-friendly implementation of a potential flow solver based on the unsteady vortex lattice method (UVLM). The computational framework uses the Python programming language which has easy integration with the scripts requiring computationally-expensive operations written in Fortran. The mixed-language approach enables high performance in terms of solution time and high flexibility in terms of easiness of code adaptation to different system configurations and applications. This computational tool is intended to predict the unsteady aerodynamic behavior of multiple moving bodies (e.g., flapping wings, rotating blades, suspension bridges...) subject to an incoming air. We simulate different aerodynamic problems to validate and illustrate the usefulness and effectiveness of the developed computational tool.

Keywords: Unsteady aerodynamics, numerical simulations, mixed-language approach, potential flow.

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Authors: Fatma Ghangir, Andrzej F. Nowakowski, Franck C. G. A. Nicolleau, Thomas M. Michelitsch

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The performance of high-resolution schemes is investigated for unsteady, inviscid and compressible multiphase flows. An Eulerian diffuse interface approach has been chosen for the simulation of multicomponent flow problems. The reduced fiveequation and seven equation models are used with HLL and HLLC approximation. The authors demonstrated the advantages and disadvantages of both seven equations and five equations models studying their performance with HLL and HLLC algorithms on simple test case. The seven equation model is based on two pressure, two velocity concept of Baer–Nunziato [10], while five equation model is based on the mixture velocity and pressure. The numerical evaluations of two variants of Riemann solvers have been conducted for the classical one-dimensional air-water shock tube and compared with analytical solution for error analysis.

Keywords: Multiphase flow, gas-liquid flow, Godunov schems, Riemann solvers, HLL scheme, HLLC scheme.

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Authors: M. Zamani, O. Kahar

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Solution to unsteady Navier-Stokes equation by Splitting method in physical orthogonal algebraic curvilinear coordinate system, also termed 'Non-linear grid system' is presented. The linear terms in Navier-Stokes equation are solved by Crank- Nicholson method while the non-linear term is solved by the second order Adams-Bashforth method. This work is meant to bring together the advantage of Splitting method as pressure-velocity solver of higher efficiency with the advantage of consuming Non-linear grid system which produce more accurate results in relatively equal number of grid points as compared to Cartesian grid. The validation of Splitting method as a solution of Navier-Stokes equation in Nonlinear grid system is done by comparison with the benchmark results for lid driven cavity flow by Ghia and some case studies including Backward Facing Step Flow Problem.

Keywords: Navier-Stokes, 'Non-linear grid system', Splitting method.

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Authors: A. Seleem, M. Mortada, M. El Morsi, M. Younan

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Diffusion stills have been effective in water desalination. The present work represents a model of the distillation process by using vertical single-effect diffusion stills. A semianalytical model has been developed to model the process. A software computer code using Engineering Equation Solver EES software has been developed to solve the equations of the developed model. An experimental setup has been constructed, and used for the validation of the model. The model is also validated against former literature results. The results obtained from the present experimental test rig, and the data from the literature, have been compared with the results of the code to find its best range of validity. In addition, a parametric analysis of the system has been developed using the model to determine the effect of operating conditions on the system's performance. The dominant parameters that affect the productivity of the still are the hot plate temperature that ranges from (55- 90°C) and feed flow rate in range of (0.00694-0.0211 kg/m2-s).

Keywords: Analytical Model, Solar Distillation, Sustainable Water Systems, Vertical Diffusion Still.

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Authors: Aymen Laadhari, Gábor Székely

Abstract:

This paper is concerned with the development of a fully implicit and purely Eulerian fluid-structure interaction method tailored for the modeling of the large deformations of elastic membranes in a surrounding Newtonian fluid. We consider a simplified model for the mechanical properties of the membrane, in which the surface strain energy depends on the membrane stretching. The fully Eulerian description is based on the advection of a modified surface tension tensor, and the deformations of the membrane are tracked using a level set strategy. The resulting nonlinear problem is solved by a Newton-Raphson method, featuring a quadratic convergence behavior. A monolithic solver is implemented, and we report several numerical experiments aimed at model validation and illustrating the accuracy of the presented method. We show that stability is maintained for significantly larger time steps.

Keywords: Fluid-membrane interaction, stretching, Eulerian, finite element method, Newton, implicit.

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Authors: M. H. Kazemi, D. Salac

Abstract:

A semi-implicit phase field method for droplet evolution is proposed. Using the phase field Cahn-Hilliard equation, we are able to track the interface in multiphase flow. The idea of a semi-implicit finite difference scheme is reviewed and employed to solve two nonlinear equations, including the Navier-Stokes and the Cahn-Hilliard equations. The use of a semi-implicit method allows us to have larger time steps compared to explicit schemes. The governing equations are coupled and then solved by a GMRES solver (generalized minimal residual method) using modified Gram-Schmidt orthogonalization. To show the validity of the method, we apply the method to the simulation of a rising droplet, a leaky dielectric drop and the coalescence of drops. The numerical solutions to the phase field model match well with existing solutions over a defined range of variables.

Keywords: Coalescence, leaky dielectric, numerical method, phase field, rising droplet, semi-implicit method.

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

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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: O. A. Apampa, Y. A. Jimoh, K. A. Olonade

Abstract:

The need to save time and cost of soil testing at the planning stage of road work has necessitated developing predictive models. This study proposes a model for predicting the dry density of lateritic soils stabilized with corn cob ash (CCA) and blended cement - CCA. Lateritic soil was first stabilized with CCA at 1.5, 3.0, 4.5 and 6% of the weight of soil and then stabilized with the same proportions as replacement for cement. Dry density, specific gravity, maximum degree of saturation and moisture content were determined for each stabilized soil specimen, following standard procedure. Polynomial equations containing alpha and beta parameters for CCA and blended CCA-cement were developed. Experimental values were correlated with the values predicted from the Matlab curve fitting tool, and the Solver function of Microsoft Excel 2010. The correlation coefficient (R2) of 0.86 was obtained indicating that the model could be accepted in predicting the maximum dry density of CCA stabilized soils to facilitate quick decision making in roadworks.

Keywords: Corn cob ash, lateritic soil, stabilization, maximum dry density, moisture content.

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