Search results for: numerical simulation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5184

Search results for: numerical simulation

4584 Learning a Song: an ACT-R Model

Authors: Belkacem Chikhaoui, Helene Pigot, Mathieu Beaudoin, Guillaume Pratte, Philippe Bellefeuille, Fernando Laudares

Abstract:

The way music is interpreted by the human brain is a very interesting topic, but also an intricate one. Although this domain has been studied for over a century, many gray areas remain in the understanding of music. Recent advances have enabled us to perform accurate measurements of the time taken by the human brain to interpret and assimilate a sound. Cognitive computing provides tools and development environments that facilitate human cognition simulation. ACT-R is a cognitive architecture which offers an environment for implementing human cognitive tasks. This project combines our understanding of the music interpretation by a human listener and the ACT-R cognitive architecture to build SINGER, a computerized simulation for listening and recalling songs. The results are similar to human experimental data. Simulation results also show how it is easier to remember short melodies than long melodies which require more trials to be recalled correctly.

Keywords: Computational model, cognitive modeling, simulation, learning, song, music.

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4583 Numerical Study on the Hazards of Gravitational Forces on Cerebral Aneurysms

Authors: Hashem M. Alargha, Mohammad O. Hamdan, Waseem H. Aziz

Abstract:

Aerobatic and military pilots are subjected to high gravitational forces that could cause blackout, physical injuries or death. A CFD simulation using fluid-solid interactions scheme has been conducted to investigate the gravitational effects and hazards inside cerebral aneurysms. Medical data have been used to derive the size and geometry of a simple aneurysm on a T-shaped bifurcation. The results show that gravitational force has no effect on maximum Wall Shear Stress (WSS); hence, it will not cause aneurysm initiation/formation. However, gravitational force cause causes hypertension which could contribute to aneurysm rupture.

Keywords: Aneurysm, CFD, wall shear stress, gravity, fluid dynamics, bifurcation artery.

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4582 A Discrete Element Method Centrifuge Model of Monopile under Cyclic Lateral Loads

Authors: Nuo Duan, Yi Pik Cheng

Abstract:

This paper presents the data of a series of two-dimensional Discrete Element Method (DEM) simulations of a large-diameter rigid monopile subjected to cyclic loading under a high gravitational force. At present, monopile foundations are widely used to support the tall and heavy wind turbines, which are also subjected to significant from wind and wave actions. A safe design must address issues such as rotations and changes in soil stiffness subject to these loadings conditions. Design guidance on the issue is limited, so are the availability of laboratory and field test data. The interpretation of these results in sand, such as the relation between loading and displacement, relies mainly on empirical correlations to pile properties. Regarding numerical models, most data from Finite Element Method (FEM) can be found. They are not comprehensive, and most of the FEM results are sensitive to input parameters. The micro scale behaviour could change the mechanism of the soil-structure interaction. A DEM model was used in this paper to study the cyclic lateral loads behaviour. A non-dimensional framework is presented and applied to interpret the simulation results. The DEM data compares well with various set of published experimental centrifuge model test data in terms of lateral deflection. The accumulated permanent pile lateral displacements induced by the cyclic lateral loads were found to be dependent on the characteristics of the applied cyclic load, such as the extent of the loading magnitudes and directions.

Keywords: Cyclic loading, DEM, numerical modelling, sands.

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4581 Numerical Modelling of Effective Diffusivity in Bone Tissue Engineering

Authors: Ayesha Sohail, Khadija Maqbool, Anila Asif, Haroon Ahmad

Abstract:

These days, the field of tissue engineering is getting serious attention due to its usefulness. Bone tissue engineering helps to address and sort-out the critical sized and non-healing orthopedic problems by the creation of manmade bone tissue. We will design and validate an efficient numerical model, which will simulate the effective diffusivity in bone tissue engineering. Our numerical model will be based on the finite element analysis of the diffusion-reaction equations. It will have the ability to optimize the diffusivity, even at multi-scale, with the variation of time. It will also have a special feature “parametric sweep”, with which we will be able to predict the oxygen, glucose and cell density dynamics, more accurately. We will fix these problems by modifying the governing equations, by selecting appropriate spatio-temporal finite element schemes and by transient analysis.

Keywords: Bone tissue engineering, Transient Analysis, Scaffolds, fabrication techniques.

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4580 Lattice Boltzmann Simulation of the Carbonization of Wood Particle

Authors: Ahmed Mahmoudi, Imen Mejri, Mohamed A. Abbassi, Ahmed Omri

Abstract:

A numerical study based on the Lattice Boltzmann Method (LBM) is proposed to solve one, two and three dimensional heat and mass transfer for isothermal carbonization of thick wood particles. To check the validity of the proposed model, computational results have been compared with the published data and a good agreement is obtained. Then, the model is used to study the effect of reactor temperature and thermal boundary conditions, on the evolution of the local temperature and the mass distributions of the wood particle during carbonization

Keywords: Lattice Boltzmann Method, pyrolysis conduction, carbonization, Heat and mass transfer.

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4579 The Differential Transform Method for Advection-Diffusion Problems

Authors: M. F. Patricio, P. M. Rosa

Abstract:

In this paper a class of numerical methods to solve linear and nonlinear PDEs and also systems of PDEs is developed. The Differential Transform method associated with the Method of Lines (MoL) is used. The theory for linear problems is extended to the nonlinear case, and a recurrence relation is established. This method can achieve an arbitrary high-order accuracy in time. A variable stepsize algorithm and some numerical results are also presented.

Keywords: Method of Lines, Differential Transform Method.

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4578 Simulation of Laser Structuring by Three Dimensional Heat Transfer Model

Authors: Bassim Bachy, Joerg Franke

Abstract:

In this study, a three dimensional numerical heat transfer model has been used to simulate the laser structuring of polymer substrate material in the Three-Dimensional Molded Interconnect Device (3D MID) which is used in the advanced multifunctional applications. A finite element method (FEM) transient thermal analysis is performed using APDL (ANSYS Parametric Design Language) provided by ANSYS. In this model, the effect of surface heat source was modeled with Gaussian distribution, also the effect of the mixed boundary conditions which consist of convection and radiation heat transfers have been considered in this analysis. The model provides a full description of the temperature distribution, as well as calculates the depth and the width of the groove upon material removal at different set of laser parameters such as laser power and laser speed. This study also includes the experimental procedure to study the effect of laser parameters on the depth and width of the removal groove metal as verification to the modeled results. Good agreement between the experimental and the model results is achieved for a wide range of laser powers. It is found that the quality of the laser structure process is affected by the laser scan speed and laser power. For a high laser structured quality, it is suggested to use laser with high speed and moderate to high laser power.

Keywords: Laser Structuring, Simulation, Finite element analysis, Thermal modeling.

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4577 Approximate Solutions to Large Stein Matrix Equations

Authors: Khalide Jbilou

Abstract:

In the present paper, we propose numerical methods for solving the Stein equation AXC - X - D = 0 where the matrix A is large and sparse. Such problems appear in discrete-time control problems, filtering and image restoration. We consider the case where the matrix D is of full rank and the case where D is factored as a product of two matrices. The proposed methods are Krylov subspace methods based on the block Arnoldi algorithm. We give theoretical results and we report some numerical experiments.

Keywords: IEEEtran, journal, LATEX, paper, template.

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4576 Complex Flow Simulation Using a Partially Lagging One-Equation Turbulence Model

Authors: M. Elkhoury

Abstract:

A recently developed one-equation turbulence model has been successfully applied to simulate turbulent flows with various complexities. The model, which is based on the transformation of the k-ε closure, is wall-distance free and equipped with lagging destruction/dissipation terms. Test cases included shockboundary- layer interaction flows over the NACA 0012 airfoil, an axisymmetric bump, and the ONERA M6 wing. The capability of the model to operate in a Scale Resolved Simulation (SRS) mode is demonstrated through the simulation of a massive flow separation over a circular cylinder at Re= 1.2 x106. An assessment of the results against available experiments Menter (k-ε)1Eq and the Spalart- Allmaras model that belongs to the single equation closure family is made.

Keywords: Turbulence modeling, complex flow simulation, scale adaptive simulation, one-equation turbulence model.

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4575 Thermal Carpet Cloaking Achieved by Layered Metamaterial

Authors: Bang-Shiuh Chen, Lien-Wen Chen

Abstract:

We have devised a thermal carpet cloak theoretically and implemented in silicon using layered metamaterial. The layered metamaterial is composed of single crystalline silicon and its phononic crystal. The design is based on a coordinate transformation. We demonstrate the result with numerical simulation. Great cloaking performance is achieved as a thermal insulator is well hidden under the thermal carpet cloak. We also show that the thermal carpet cloak can even the temperature on irregular surface. Using thermal carpet cloak to manipulate the heat conduction is effective because of its low complexity.

Keywords: Metamaterial, heat conduction, cloaking, phononic crystal.

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4574 CFD simulation of Pressure Drops in Liquid Acquisition Device Channel with Sub-Cooled Oxygen

Authors: David J. Chato, John B. McQuillen, Brian J.Motil, David F. Chao, Nengli Zhang

Abstract:

In order to better understand the performance of screen channel liquid acquisition devices (LADs) in liquid oxygen (LOX), a computational fluid dynamics (CFD) simulation of LOX passing through a LAD screen channel was conducted. In the simulation, the screen is taken as a 'porous jump' where the pressure drop across the screen depends on the incoming velocity and is formulated by Δp = Av + Bv2 . The CFD simulation reveals the importance of the pressure losses due to the flow entering from across the screen and impacting and merging with the channel flow and the vortices in the channel to the cumulative flow resistance. In fact, both the flow resistance of flows impact and mergence and the resistance created by vortices are much larger than the friction and dynamic pressure losses in the channel and are comparable to the flow resistance across the screen. Therefore, these resistances in the channel must be considered as part of the evaluation for the LAD channel performance. For proper operation of a LAD in LOX these resistances must be less than the bubble point pressure for the screen channel in LOX. The simulation also presents the pressure and velocity distributions within the LAD screen channel, expanding the understanding of the fluid flow characteristics within the channel.

Keywords: Liquid acquisition devices, liquid oxygen, pressure drop, vortex, bubble point, flow rate limitation.

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4573 Simulation Model of an Ultra-Light Overhead Conveyor System; Analysis of the Process in the Warehouse

Authors: Batin Latif Aylak, Bernd Noche, M. Baran Cantepe, Aydin Karakaya

Abstract:

Ultra-light overhead conveyor systems are rope-based conveying systems with individually driven vehicles. The vehicles can move automatically on the rope and this can be realized by energy and signals. The ultra-light overhead conveyor systems always must be integrated with a logistical process by finding a best way for a cheaper material flow in order to guarantee precise and fast workflows. This paper analyzes the process of an ultra-light overhead conveyor system using necessary assumptions. The analysis consists of three scenarios. These scenarios are based on raising the vehicle speeds with equal increments at each case. The correlation between the vehicle speed and system throughput is investigated. A discrete-event simulation model of an ultra-light overhead conveyor system is constructed using DOSIMIS-3 software to implement three scenarios. According to simulation results; the optimal scenario, hence the optimal vehicle speed, is found out among three scenarios. This simulation model demonstrates the effect of increased speed on the system throughput.

Keywords: Logistics, material flow, simulation, ultra-light overhead conveyor.

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4572 Development of Tools for Multi Vehicles Simulation with Robot Operating System and ArduPilot

Authors: Pierre Kancir, Jean-Philippe Diguet, Marc Sevaux

Abstract:

One of the main difficulties in developing multi-robot systems (MRS) is related to the simulation and testing tools available. Indeed, if the differences between simulations and real robots are too significant, the transition from the simulation to the robot won’t be possible without another long development phase and won’t permit to validate the simulation. Moreover, the testing of different algorithmic solutions or modifications of robots requires a strong knowledge of current tools and a significant development time. Therefore, the availability of tools for MRS, mainly with flying drones, is crucial to enable the industrial emergence of these systems. This research aims to present the most commonly used tools for MRS simulations and their main shortcomings and presents complementary tools to improve the productivity of designers in the development of multi-vehicle solutions focused on a fast learning curve and rapid transition from simulations to real usage. The proposed contributions are based on existing open source tools as Gazebo simulator combined with ROS (Robot Operating System) and the open-source multi-platform autopilot ArduPilot to bring them to a broad audience.

Keywords: ROS, ArduPilot, MRS, simulation, drones, Gazebo.

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4571 Development of a RAM Simulation Model for Acid Gas Removal System

Authors: Ainul Akmar Mokhtar, Masdi Muhammad, Hilmi Hussin, Mohd Amin Abdul Majid

Abstract:

A reliability, availability and maintainability (RAM) model has been built for acid gas removal plant for system analysis that will play an important role in any process modifications, if required, for achieving its optimum performance. Due to the complexity of the plant, the model was based on a Reliability Block Diagram (RBD) with a Monte Carlo simulation engine. The model has been validated against actual plant data as well as local expert opinions, resulting in an acceptable simulation model. The results from the model showed that the operation and maintenance can be further improved, resulting in reduction of the annual production loss.

Keywords: Acid gas removal plant, RAM model, Reliabilityblock diagram

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4570 Maxwell-Cattaneo Regularization of Heat Equation

Authors: F. Ekoue, A. Fouache d'Halloy, D. Gigon, G Plantamp, E. Zajdman

Abstract:

This work focuses on analysis of classical heat transfer equation regularized with Maxwell-Cattaneo transfer law. Computer simulations are performed in MATLAB environment. Numerical experiments are first developed on classical Fourier equation, then Maxwell-Cattaneo law is considered. Corresponding equation is regularized with a balancing diffusion term to stabilize discretizing scheme with adjusted time and space numerical steps. Several cases including a convective term in model equations are discussed, and results are given. It is shown that limiting conditions on regularizing parameters have to be satisfied in convective case for Maxwell-Cattaneo regularization to give physically acceptable solutions. In all valid cases, uniform convergence to solution of initial heat equation with Fourier law is observed, even in nonlinear case.

Keywords: Maxwell-Cattaneo heat transfers equations, fourierlaw, heat conduction, numerical solution.

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4569 Simulation of the Asphaltene Deposition Rate in a Wellbore Blockage via Computational Fluid Dynamics

Authors: Xiaodong Gao, Pingchuan Dong, Qichao Gao

Abstract:

This work attempts to predict the deposition rate of asphaltene particles in blockage tube through CFD simulation. The Euler-Lagrange equation has been applied during the flow of crude oil and asphaltene particles. The net gravitational force, virtual mass, pressure gradient, Saffman lift, and drag forces are incorporated in the simulations process. Validation of CFD simulation results is compared to the benchmark experiments from the previous literature. Furthermore, the effects of blockage location, blockage length, and blockage thickness on deposition rate are also analyzed. The simulation results indicate that the maximum deposition rate of asphaltene occurs in the blocked tube section, and the greater the deposition thickness, the greater the deposition rate. Moreover, the deposition amount and maximum deposition rate along the length of the tube have the same trend. Results of this study are in the ability to better understand the deposition of asphaltene particles in production and help achieve to deal with the asphaltene challenges.

Keywords: Asphaltene deposition rate, blockage length, blockage thickness, blockage diameter, transient condition.

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4568 Numerical Analysis of the Effect of Geocell Reinforcement above Buried Pipes on Surface Settlement and Vertical Pressure

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

Abstract:

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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4567 Satellite Rainfall Prediction Techniques - A State of the Art Review

Authors: S. Sarumathi, N. Shanthi, S. Vidhya

Abstract:

In the present world, predicting rainfall is considered to be an essential and also a challenging task. Normally, the climate and rainfall are presumed to have non-linear as well as intricate phenomena. For predicting accurate rainfall, we necessitate advanced computer modeling and simulation. When there is an enhanced understanding of the spatial and temporal distribution of precipitation then it becomes enrichment to applications such as hydrologic, climatic and ecological. Conversely, there may be some kind of challenges occur in the community due to some application which results in the absence of consistent precipitation observation in remote and also emerging region. This survey paper provides a multifarious collection of methodologies which are epitomized by various researchers for predicting the rainfall. It also gives information about some technique to forecast rainfall, which is appropriate to all methods like numerical, traditional and statistical.

Keywords: Satellite Image, Segmentation, Feature Extraction, Classification, Clustering, Precipitation Estimation.

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4566 Computational Evaluation of a C-A Heat Pump

Authors: Young-Jin Baik, Minsung Kim, Young-Soo Lee, Ki-Chang Chang, Seong-Ryong Park

Abstract:

The compression-absorption heat pump (C-A HP), one of the promising heat recovery equipments that make process hot water using low temperature heat of wastewater, was evaluated by computer simulation. A simulation program was developed based on the continuity and the first and second laws of thermodynamics. Both the absorber and desorber were modeled using UA-LMTD method. In order to prevent an unfeasible temperature profile and to reduce calculation errors from the curved temperature profile of a mixture, heat loads were divided into lots of segments. A single-stage compressor was considered. A compressor cooling load was also taken into account. An isentropic efficiency was computed from the map data. Simulation conditions were given based on the system consisting of ordinarily designed components. The simulation results show that most of the total entropy generation occurs during the compression and cooling process, thus suggesting the possibility that system performance can be enhanced if a rectifier is introduced.

Keywords: Waste heat recovery, Heat Pump.

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4565 A Method for 3D Mesh Adaptation in FEA

Authors: S. Sfarni, E. Bellenger, J. Fortin, M. Guessasma

Abstract:

The use of the mechanical simulation (in particular the finite element analysis) requires the management of assumptions in order to analyse a real complex system. In finite element analysis (FEA), two modeling steps require assumptions to be able to carry out the computations and to obtain some results: the building of the physical model and the building of the simulation model. The simplification assumptions made on the analysed system in these two steps can generate two kinds of errors: the physical modeling errors (mathematical model, domain simplifications, materials properties, boundary conditions and loads) and the mesh discretization errors. This paper proposes a mesh adaptive method based on the use of an h-adaptive scheme in combination with an error estimator in order to choose the mesh of the simulation model. This method allows us to choose the mesh of the simulation model in order to control the cost and the quality of the finite element analysis.

Keywords: Finite element, discretization errors, adaptivity.

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4564 A Numerical Model for Simulation of Blood Flow in Vascular Networks

Authors: Houman Tamaddon, Mehrdad Behnia, Masud Behnia

Abstract:

An accurate study of blood flow is associated with an accurate vascular pattern and geometrical properties of the organ of interest. Due to the complexity of vascular networks and poor accessibility in vivo, it is challenging to reconstruct the entire vasculature of any organ experimentally. The objective of this study is to introduce an innovative approach for the reconstruction of a full vascular tree from available morphometric data. Our method consists of implementing morphometric data on those parts of the vascular tree that are smaller than the resolution of medical imaging methods. This technique reconstructs the entire arterial tree down to the capillaries. Vessels greater than 2 mm are obtained from direct volume and surface analysis using contrast enhanced computed tomography (CT). Vessels smaller than 2mm are reconstructed from available morphometric and distensibility data and rearranged by applying Murray’s Laws. Implementation of morphometric data to reconstruct the branching pattern and applying Murray’s Laws to every vessel bifurcation simultaneously, lead to an accurate vascular tree reconstruction. The reconstruction algorithm generates full arterial tree topography down to the first capillary bifurcation. Geometry of each order of the vascular tree is generated separately to minimize the construction and simulation time. The node-to-node connectivity along with the diameter and length of every vessel segment is established and order numbers, according to the diameter-defined Strahler system, are assigned. During the simulation, we used the averaged flow rate for each order to predict the pressure drop and once the pressure drop is predicted, the flow rate is corrected to match the computed pressure drop for each vessel. The final results for 3 cardiac cycles is presented and compared to the clinical data.

Keywords: Blood flow, Morphometric data, Vascular tree, Strahler ordering system.

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4563 Step Method for Solving Nonlinear Two Delays Differential Equation in Parkinson’s Disease

Authors: H. N. Agiza, M. A. Sohaly, M. A. Elfouly

Abstract:

Parkinson's disease (PD) is a heterogeneous disorder with common age of onset, symptoms, and progression levels. In this paper we will solve analytically the PD model as a non-linear delay differential equation using the steps method. The step method transforms a system of delay differential equations (DDEs) into systems of ordinary differential equations (ODEs). On some numerical examples, the analytical solution will be difficult. So we will approximate the analytical solution using Picard method and Taylor method to ODEs.

Keywords: Parkinson's disease, Step method, delay differential equation, simulation.

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4562 An Investigation of a Three-Dimensional Constitutive Model of Gas Diffusion Layers in Polymer Electrolyte Membrane Fuel Cells

Authors: Yanqin Chen, Chao Jiang, Chongdu Cho

Abstract:

This research presents the three-dimensional mechanical characteristics of a commercial gas diffusion layer by experiment and simulation results. Although the mechanical performance of gas diffusion layers has attracted much attention, its reliability and accuracy are still a major challenge. With the help of simulation analysis methods, it is beneficial to the gas diffusion layer’s extensive commercial development and the overall stress analysis of proton electrolyte membrane fuel cells during its pre-production design period. Therefore, in this paper, a three-dimensional constitutive model of a commercial gas diffusion layer, including its material stiffness matrix parameters, is developed and coded, in the user-defined material model of a commercial finite element method software for simulation. Then, the model is validated by comparing experimental results as well as simulation outcomes. As a result, both the experimental data and simulation results show a good agreement with each other, with high accuracy.

Keywords: Gas diffusion layer, proton electrolyte membrane fuel cell, stiffness matrix, three-dimensional mechanical characteristics, user-defined material model.

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4561 An Implicit Methodology for the Numerical Modeling of Locally Inextensible Membranes

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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4560 Discovery of Human HMG-Coa Reductase Inhibitors Using Structure-Based Pharmacophore Modeling Combined with Molecular Dynamics Simulation Methodologies

Authors: Minky Son, Chanin Park, Ayoung Baek, Shalini John, Keun Woo Lee

Abstract:

3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR) catalyzes the conversion of HMG-CoA to mevalonate using NADPH and the enzyme is involved in rate-controlling step of mevalonate. Inhibition of HMGR is considered as effective way to lower cholesterol levels so it is drug target to treat hypercholesterolemia, major risk factor of cardiovascular disease. To discover novel HMGR inhibitor, we performed structure-based pharmacophore modeling combined with molecular dynamics (MD) simulation. Four HMGR inhibitors were used for MD simulation and representative structure of each simulation were selected by clustering analysis. Four structure-based pharmacophore models were generated using the representative structure. The generated models were validated used in virtual screening to find novel scaffolds for inhibiting HMGR. The screened compounds were filtered by applying drug-like properties and used in molecular docking. Finally, four hit compounds were obtained and these complexes were refined using energy minimization. These compounds might be potential leads to design novel HMGR inhibitor.

Keywords: Anti-hypercholesterolemia drug, HMGR inhibitor, Molecular dynamics simulation, Structure-based pharmacophore modeling.

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4559 Numerical Analysis of Hydrogen Transport using a Hydrogen-Enhanced Localized Plasticity Mechanism

Authors: Seul-Kee Kim, Chi-Seung Lee, Myung-Hyun Kim, Jae-Myung Lee

Abstract:

In this study, the hydrogen transport phenomenon was numerically evaluated by using hydrogen-enhanced localized plasticity (HELP) mechanisms. Two dominant governing equations, namely, the hydrogen transport model and the elasto-plastic model, were introduced. In addition, the implicitly formulated equations of the governing equations were implemented into ABAQUS UMAT user-defined subroutines. The simulation results were compared to published results to validate the proposed method.

Keywords: Hydrogen-enhanced localized plasticity (HELP), Hydrogen embrittlement, Hydrogen transport analysis, ABAQUS UMAT, Finite element method (FEM).

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4558 Non-reflection Boundary Conditions for Numerical Simulation of Supersonic Flow

Authors: A. Abdalla, A. Kaltayev

Abstract:

This article presents the boundary conditions for the problem of turbulent supersonic gas flow in a plane channel with a perpendicular injection jets. The non-reflection boundary conditions for direct modeling of compressible viscous gases are studied. A formulation using the NSCBC (Navier- Stocks characteristic boundary conditions) through boundaries is derived for the subsonic inflow and subsonic non-reflection outflow situations. Verification of the constructed algorithm of boundary conditions is carried out by solving a test problem of perpendicular sound of jets injection into a supersonic gas flow in a plane channel.

Keywords: WENO scheme, non-reflection boundary conditions, NSCBC, supersonic flow.

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4557 Simulation Design of Separator for the Treatment of Emulsions

Authors: Irena Markovska, Dimitar Rusev, Nikolai Zaicev, Bogdan Bogdanov, Dimitar Georgiev, Yancho Hristov

Abstract:

A prototype model of an emulsion separator was designed and manufactured. Generally, it is a cylinder filled with different fractal modules. The emulsion was fed into the reactor by a peristaltic pump through an inlet placed at the boundary between the two phases. For hydrodynamic design and sizing of the reactor the assumptions of the theory of filtration were used and methods to describe the separation process were developed. Based on this methodology and using numerical methods and software of Autodesk the process is simulated in different operating modes. The basic hydrodynamic characteristics - speed and performance for different types of fractal systems and decisions to optimize the design of the reactor were also defined.

Keywords: fractal systems, reactor, separation, emulsions

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4556 Artificial Neural Network Modeling and Genetic Algorithm Based Optimization of Hydraulic Design Related to Seepage under Concrete Gravity Dams on Permeable Soils

Authors: Muqdad Al-Juboori, Bithin Datta

Abstract:

Hydraulic structures such as gravity dams are classified as essential structures, and have the vital role in providing strong and safe water resource management. Three major aspects must be considered to achieve an effective design of such a structure: 1) The building cost, 2) safety, and 3) accurate analysis of seepage characteristics. Due to the complexity and non-linearity relationships of the seepage process, many approximation theories have been developed; however, the application of these theories results in noticeable errors. The analytical solution, which includes the difficult conformal mapping procedure, could be applied for a simple and symmetrical problem only. Therefore, the objectives of this paper are to: 1) develop a surrogate model based on numerical simulated data using SEEPW software to approximately simulate seepage process related to a hydraulic structure, 2) develop and solve a linked simulation-optimization model based on the developed surrogate model to describe the seepage occurring under a concrete gravity dam, in order to obtain optimum and safe design at minimum cost. The result shows that the linked simulation-optimization model provides an efficient and optimum design of concrete gravity dams.

Keywords: Artificial neural network, concrete gravity dam, genetic algorithm, seepage analysis.

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4555 Hydrodynamic Simulation of Fixed Bed GTL Reactor Using CFD

Authors: Sh. Shahhosseini, S. Alinia, M. Irani

Abstract:

In this work, axisymetric CFD simulation of fixed bed GTL reactor has been conducted, using computational fluid dynamics (CFD). In fixed bed CFD modeling, when N (tube-to-particle diameter ratio) has a large value, it is common to consider the packed bed as a porous media. Synthesis gas (a mixture of predominantly carbon monoxide and hydrogen) was fed to the reactor. The reactor length was 20 cm, divided to three sections. The porous zone was in the middle section of the reactor. The model equations were solved employing finite volume method. The effects of particle diameter, bed voidage, fluid velocity and bed length on pressure drop have been investigated. Simulation results showed these parameters could have remarkable impacts on the reactor pressure drop.

Keywords: GTL Process, Fixed bed reactor, Pressure drop, CFDsimulation.

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