Search results for: modelling and simulation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 6280

Search results for: modelling and simulation

5020 A Hybrid Traffic Model for Smoothing Traffic Near Merges

Authors: Shiri Elisheva Decktor, Sharon Hornstein

Abstract:

Highway merges and unmarked junctions are key components in any urban road network, which can act as bottlenecks and create traffic disruption. Inefficient highway merges may trigger traffic instabilities such as stop-and-go waves, pose safety conditions and lead to longer journey times. These phenomena occur spontaneously if the average vehicle density exceeds a certain critical value. This study focuses on modeling the traffic using a microscopic traffic flow model. A hybrid traffic model, which combines human-driven and controlled vehicles is assumed. The controlled vehicles obey different driving policies when approaching the merge, or in the vicinity of other vehicles. We developed a co-simulation model in SUMO (Simulation of Urban Mobility), in which the human-driven cars are modeled using the IDM model, and the controlled cars are modeled using a dedicated controller. The scenario chosen for this study is a closed track with one merge and one exit, which could be later implemented using a scaled infrastructure on our lab setup. This will enable us to benchmark the results of this study obtained in simulation, to comparable results in similar conditions in the lab. The metrics chosen for the comparison of the performance of our algorithm on the overall traffic conditions include the average speed, wait time near the merge, and throughput after the merge, measured under different travel demand conditions (low, medium, and heavy traffic).

Keywords: highway merges, traffic modeling, SUMO, driving policy

Procedia PDF Downloads 90
5019 An Investigation on Opportunities and Obstacles on Implementation of Building Information Modelling for Pre-fabrication in Small and Medium Sized Construction Companies in Germany: A Practical Approach

Authors: Nijanthan Mohan, Rolf Gross, Fabian Theis

Abstract:

The conventional method used in the construction industries often resulted in significant rework since most of the decisions were taken onsite under the pressure of project deadlines and also due to the improper information flow, which results in ineffective coordination. However, today’s architecture, engineering, and construction (AEC) stakeholders demand faster and accurate deliverables, efficient buildings, and smart processes, which turns out to be a tall order. Hence, the building information modelling (BIM) concept was developed as a solution to fulfill the above-mentioned necessities. Even though BIM is successfully implemented in most of the world, it is still in the early stages in Germany, since the stakeholders are sceptical of its reliability and efficiency. Due to the huge capital requirement, the small and medium-sized construction companies are still reluctant to implement BIM workflow in their projects. The purpose of this paper is to analyse the opportunities and obstacles to implementing BIM for prefabrication. Among all other advantages of BIM, pre-fabrication is chosen for this paper because it plays a vital role in creating an impact on time as well as cost factors of a construction project. The positive impact of prefabrication can be explicitly observed by the project stakeholders and participants, which enables the breakthrough of the skepticism factor among the small scale construction companies. The analysis consists of the development of a process workflow for implementing prefabrication in building construction, followed by a practical approach, which was executed with two case studies. The first case study represents on-site prefabrication, and the second was done for off-site prefabrication. It was planned in such a way that the first case study gives a first-hand experience for the workers at the site on the BIM model so that they can make much use of the created BIM model, which is a better representation compared to the traditional 2D plan. The main aim of the first case study is to create a belief in the implementation of BIM models, which was succeeded by the execution of offshore prefabrication in the second case study. Based on the case studies, the cost and time analysis was made, and it is inferred that the implementation of BIM for prefabrication can reduce construction time, ensures minimal or no wastes, better accuracy, less problem-solving at the construction site. It is also observed that this process requires more planning time, better communication, and coordination between different disciplines such as mechanical, electrical, plumbing, architecture, etc., which was the major obstacle for successful implementation. This paper was carried out in the perspective of small and medium-sized mechanical contracting companies for the private building sector in Germany.

Keywords: building information modelling, construction wastes, pre-fabrication, small and medium sized company

Procedia PDF Downloads 96
5018 Model Predictive Control (MPC) and Proportional-Integral-Derivative (PID) Control of Quadcopters: A Comparative Analysis

Authors: Anel Hasić, Naser Prljača

Abstract:

In the domain of autonomous or piloted flights, the accurate control of quadrotor trajectories is of paramount significance for large numbers of tasks. These adaptable aerial platforms find applications that span from high-precision aerial photography and surveillance to demanding search and rescue missions. Among the fundamental challenges confronting quadrotor operation is the demand for accurate following of desired flight paths. To address this control challenge, among others, two celebrated well-established control strategies have emerged as noteworthy contenders: Model Predictive Control (MPC) and Proportional-Integral-Derivative (PID) control. In this work, we focus on the extensive examination of MPC and PID control techniques by using comprehensive simulation studies in MATLAB/Simulink. Intensive simulation results demonstrate the performance of the studied control algorithms.

Keywords: MATLAB, MPC, PID, quadcopter, simulink

Procedia PDF Downloads 29
5017 Dynamic Fault Diagnosis for Semi-Batch Reactor Under Closed-Loop Control via Independent RBFNN

Authors: Abdelkarim M. Ertiame, D. W. Yu, D. L. Yu, J. B. Gomm

Abstract:

In this paper, a new robust fault detection and isolation (FDI) scheme is developed to monitor a multivariable nonlinear chemical process called the Chylla-Haase polymerization reactor when it is under the cascade PI control. The scheme employs a radial basis function neural network (RBFNN) in an independent mode to model the process dynamics and using the weighted sum-squared prediction error as the residual. The recursive orthogonal Least Squares algorithm (ROLS) is employed to train the model to overcome the training difficulty of the independent mode of the network. Then, another RBFNN is used as a fault classifier to isolate faults from different features involved in the residual vector. The several actuator and sensor faults are simulated in a nonlinear simulation of the reactor in Simulink. The scheme is used to detect and isolate the faults on-line. The simulation results show the effectiveness of the scheme even the process is subjected to disturbances and uncertainties including significant changes in the monomer feed rate, fouling factor, impurity factor, ambient temperature and measurement noise. The simulation results are presented to illustrate the effectiveness and robustness of the proposed method.

Keywords: Robust fault detection, cascade control, independent RBF model, RBF neural networks, Chylla-Haase reactor, FDI under closed-loop control

Procedia PDF Downloads 485
5016 A Study on Factors Affecting (Building Information Modelling) BIM Implementation in European Renovation Projects

Authors: Fatemeh Daneshvartarigh

Abstract:

New technologies and applications have radically altered construction techniques in recent years. In order to anticipate how the building will act, perform, and appear, these technologies encompass a wide range of visualization, simulation, and analytic tools. These new technologies and applications have a considerable impact on completing construction projects in today's (architecture, engineering and construction)AEC industries. The rate of changes in BIM-related topics is different worldwide, and it depends on many factors, e.g., the national policies of each country. Therefore, there is a need for comprehensive research focused on a specific area with common characteristics. Therefore, one of the necessary measures to increase the use of this new approach is to examine the challenges and obstacles facing it. In this research, based on the Delphi method, at first, the background and related literature are reviewed. Then, using the knowledge obtained from the literature, a primary questionnaire is generated and filled by experts who are selected using snowball sampling. It covered the experts' attitudes towards implementing BIM in renovation projects and their view of the benefits and obstacles in this regard. By analyzing the primary questionnaire, the second group of experts is selected among the participants to be interviewed. The results are analyzed using Theme analysis. Six themes, including Management support, staff resistance, client willingness, Cost of software and implementation, the difficulty of implementation, and other reasons, are obtained. Then a final questionnaire is generated from the themes and filled by the same group of experts. The result is analyzed by the Fuzzy Delphi method, showing the exact ranking of the obtained themes. The final results show that management support, staff resistance, and client willingness are the most critical barrier to BIM usage in renovation projects.

Keywords: building information modeling, BIM, BIM implementation, BIM barriers, BIM in renovation

Procedia PDF Downloads 147
5015 Modeling and Simulation for 3D Eddy Current Testing in Conducting Materials

Authors: S. Bennoud, M. Zergoug

Abstract:

The numerical simulation of electromagnetic interactions is still a challenging problem, especially in problems that result in fully three dimensional mathematical models. The goal of this work is to use mathematical modeling to characterize the reliability and capacity of eddy current technique to detect and characterize defects embedded in aeronautical in-service pieces. The finite element method is used for describing the eddy current technique in a mathematical model by the prediction of the eddy current interaction with defects. However, this model is an approximation of the full Maxwell equations. In this study, the analysis of the problem is based on a three dimensional finite element model that computes directly the electromagnetic field distortions due to defects.

Keywords: eddy current, finite element method, non destructive testing, numerical simulations

Procedia PDF Downloads 429
5014 The Evaluation of Signal Timing Optimization and Implement of Transit Signal Priority in Intersections and Their Effect on Delay Reduction

Authors: Mohammad Reza Ramezani, Shahriyar Afandizadeh

Abstract:

Since the intersections play a crucial role in traffic delay, it is significant to evaluate them precisely. In this paper, three critical intersections in Tehran (Capital of Iran) had been simulated. The main purpose of this paper was to optimize the public transit delay. The simulation had three different phase in three intersections of Tehran. The first phase was about the current condition of intersection; the second phase was about optimized signal timing and the last phase was about prioritized public transit access. The Aimsun software was used to simulate all phases, and the Synchro software was used to optimization of signals as well. The result showed that the implement of optimization and prioritizing system would reduce about 50% of delay for public transit.

Keywords: transit signal priority, intersection optimization, public transit, simulation

Procedia PDF Downloads 458
5013 Semi-Analytic Method in Fast Evaluation of Thermal Management Solution in Energy Storage System

Authors: Ya Lv

Abstract:

This article presents the application of the semi-analytic method (SAM) in the thermal management solution (TMS) of the energy storage system (ESS). The TMS studied in this work is fluid cooling. In fluid cooling, both effective heat conduction and heat convection are indispensable due to the heat transfer from solid to fluid. Correspondingly, an efficient TMS requires a design investigation of the following parameters: fluid inlet temperature, ESS initial temperature, fluid flow rate, working c rate, continuous working time, and materials properties. Their variation induces a change of thermal performance in the battery module, which is usually evaluated by numerical simulation. Compared to complicated computation resources and long computation time in simulation, the SAM is developed in this article to predict the thermal influence within a few seconds. In SAM, a fast prediction model is reckoned by combining numerical simulation with theoretical/empirical equations. The SAM can explore the thermal effect of boundary parameters in both steady-state and transient heat transfer scenarios within a short time. Therefore, the SAM developed in this work can simplify the design cycle of TMS and inspire more possibilities in TMS design.

Keywords: semi-analytic method, fast prediction model, thermal influence of boundary parameters, energy storage system

Procedia PDF Downloads 134
5012 Out-of-Plane Bending Properties of Out-of-Autoclave Thermosetting Prepregs during Forming Processes

Authors: Hassan A. Alshahrani, Mehdi H. Hojjati

Abstract:

In order to predict and model wrinkling which is caused by out of plane deformation due to compressive loading in the plane of the material during composite prepregs forming, it is necessary to quantitatively understand the relative magnitude of the bending stiffness. This study aims to examine the bending properties of out-of-autoclave (OOA) thermosetting prepreg under vertical cantilever test condition. A direct method for characterizing the bending behavior of composite prepregs was developed. The results from direct measurement were compared with results derived from an image-processing procedure that analyses the captured image during the vertical bending test. A numerical simulation was performed using ABAQUS to confirm the bending stiffness value.

Keywords: Bending stiffness, out-of-autoclave prepreg, forming process, numerical simulation.

Procedia PDF Downloads 281
5011 Numerical and Experimental Investigation of Fracture Mechanism in Paintings on Wood

Authors: Mohammad Jamalabadi, Noemi Zabari, Lukasz Bratasz

Abstract:

Panel paintings -complex multi-layer structures consisting of wood support and a paint layer composed of a preparatory layer of gesso, paints, and varnishes- are among the category of cultural objects most vulnerable to relative humidity fluctuations and frequently found in museum collections. The current environmental specifications in museums have been derived using the criterion of crack initiation in an undamaged, usually new gesso layer laid on wood. In reality, historical paintings exhibit complex crack patterns called craquelures. The present paper analyses the structural response of a paint layer with a virtual network of rectangular cracks under environmental loadings using a three-dimensional model of a panel painting. Two modes of loading are considered -one induced by one-dimensional moisture response of wood support, termed the tangential loading, and the other isotropic induced by drying shrinkage of the gesso layer. The superposition of the two modes is also analysed. The modelling showed that minimum distances between cracks parallel to the wood grain depended on the gesso stiffness under the tangential loading. In spite of a non-zero Poisson’s ratio, gesso cracks perpendicular to the wood grain could not be generated by the moisture response of wood support. The isotropic drying shrinkage of gesso produced cracks that were almost evenly spaced in both directions. The modelling results were cross-checked with crack patterns obtained on a mock-up of a panel painting exposed to a number of extreme environmental variations in an environmental chamber.

Keywords: fracture saturation, surface cracking, paintings on wood, wood panels

Procedia PDF Downloads 250
5010 Renewable Integration Algorithm to Compensate Photovoltaic Power Using Battery Energy Storage System

Authors: Hyung Joo Lee, Jin Young Choi, Gun Soo Park, Kyo Sun Oh, Dong Jun Won

Abstract:

The fluctuation of the output of the renewable generator caused by weather conditions must be mitigated because it imposes strain on the system and adversely affects power quality. In this paper, we focus on mitigating the output fluctuation of the photovoltaic (PV) using battery energy storage system (BESS). To satisfy tight conditions of system, proposed algorithm is developed. This algorithm focuses on adjusting the integrated output curve considering state of capacity (SOC) of the battery. In this paper, the simulation model is PSCAD / EMTDC software. SOC of the battery and the overall output curve are shown using the simulation results. We also considered losses and battery efficiency.

Keywords: photovoltaic generation, battery energy storage system, renewable integration, power smoothing

Procedia PDF Downloads 265
5009 Investigation of Detectability of Orbital Objects/Debris in Geostationary Earth Orbit by Microwave Kinetic Inductance Detectors

Authors: Saeed Vahedikamal, Ian Hepburn

Abstract:

Microwave Kinetic Inductance Detectors (MKIDs) are considered as one of the most promising photon detectors of the future in many Astronomical applications such as exoplanet detections. The MKID advantages stem from their single photon sensitivity (ranging from UV to optical and near infrared), photon energy resolution and high temporal capability (~microseconds). There has been substantial progress in the development of these detectors and MKIDs with Megapixel arrays is now possible. The unique capability of recording an incident photon and its energy (or wavelength) while also registering its time of arrival to within a microsecond enables an array of MKIDs to produce a four-dimensional data block of x, y, z and t comprising x, y spatial, z axis per pixel spectral and t axis per pixel which is temporal. This offers the possibility that the spectrum and brightness variation for any detected piece of space debris as a function of time might offer a unique identifier or fingerprint. Such a fingerprint signal from any object identified in multiple detections by different observers has the potential to determine the orbital features of the object and be used for their tracking. Modelling performed so far shows that with a 20 cm telescope located at an Astronomical observatory (e.g. La Palma, Canary Islands) we could detect sub cm objects at GEO. By considering a Lambertian sphere with a 10 % reflectivity (albedo of the Moon) we anticipate the following for a GEO object: 10 cm object imaged in a 1 second image capture; 1.2 cm object for a 70 second image integration or 0.65 cm object for a 4 minute image integration. We present details of our modelling and the potential instrument for a dedicated GEO surveillance system.

Keywords: space debris, orbital debris, detection system, observation, microwave kinetic inductance detectors, MKID

Procedia PDF Downloads 78
5008 Optimal Design of Wind Turbine Blades Equipped with Flaps

Authors: I. Kade Wiratama

Abstract:

As a result of the significant growth of wind turbines in size, blade load control has become the main challenge for large wind turbines. Many advanced techniques have been investigated aiming at developing control devices to ease blade loading. Amongst them, trailing edge flaps have been proven as effective devices for load alleviation. The present study aims at investigating the potential benefits of flaps in enhancing the energy capture capabilities rather than blade load alleviation. A software tool is especially developed for the aerodynamic simulation of wind turbines utilising blades equipped with flaps. As part of the aerodynamic simulation of these wind turbines, the control system must be also simulated. The simulation of the control system is carried out via solving an optimisation problem which gives the best value for the controlling parameter at each wind turbine run condition. Developing a genetic algorithm optimisation tool which is especially designed for wind turbine blades and integrating it with the aerodynamic performance evaluator, a design optimisation tool for blades equipped with flaps is constructed. The design optimisation tool is employed to carry out design case studies. The results of design case studies on wind turbine AWT 27 reveal that, as expected, the location of flap is a key parameter influencing the amount of improvement in the power extraction. The best location for placing a flap is at about 70% of the blade span from the root of the blade. The size of the flap has also significant effect on the amount of enhancement in the average power. This effect, however, reduces dramatically as the size increases. For constant speed rotors, adding flaps without re-designing the topology of the blade can improve the power extraction capability as high as of about 5%. However, with re-designing the blade pretwist the overall improvement can be reached as high as 12%.

Keywords: flaps, design blade, optimisation, simulation, genetic algorithm, WTAero

Procedia PDF Downloads 324
5007 Numerical Simulation and Experimental Validation of the Hydraulic L-Shaped Check Ball Behavior

Authors: Shinji Kajiwara

Abstract:

The spring-driven ball-type check valve is one of the most important components of hydraulic systems: it controls the position of the ball and prevents backward flow. To simplify the structure, the spring must be eliminated, and to accomplish this, the flow pattern and the behavior of the check ball in L-shaped pipe must be determined. In this paper, we present a full-scale model of a check ball made of acrylic resin, and we determine the relationship between the initial position of the ball, the position and diameter of the inflow port. The check flow rate increases in a standard center inflow model, and it is possible to greatly decrease the check-flow rate by shifting the inflow from the center.

Keywords: hydraulics, pipe flow, numerical simulation, flow visualization, check ball, L-shaped pipe

Procedia PDF Downloads 283
5006 BIM Application and Construction Schedule Simulation for the Horizontal Work Area

Authors: Hyeon-Seong Kim, Sang-Mi Park, Seul-Gi Kim, Seon-Ju Han, Leen-Seok Kang

Abstract:

The use of BIM, including 4D CAD system, in a construction project is gradually increasing. Since the building construction works repeatedly in the vertical space, it is relatively easy to confirm the interference effect when applying the BIM, but the interference effect for the civil engineering project is relatively small because the civil works perform non-repetitive processes in the horizontal space. For this reason, it is desirable to apply BIM to the construction phase when applying BIM to the civil engineering project, and the most active BIM tool applied to the construction phase is the 4D CAD function for the schedule management. This paper proposes the application procedure of BIM by the construction phase of civil engineering project and a linear 4D CAD construction methodology suitable for the civil engineering project in which linear work is performed.

Keywords: BIM, 4D CAD, linear 4D simulation, VR

Procedia PDF Downloads 385
5005 Optimization-Based Design Improvement of Synchronizer in Transmission System for Efficient Vehicle Performance

Authors: Sanyka Banerjee, Saikat Nandi, P. K. Dan

Abstract:

Synchronizers as an integral part of gearbox is a key element in the transmission system in automotive. The performance of synchronizer affects transmission efficiency and driving comfort. Synchronizing mechanism as a major component of transmission system must be capable of preventing vibration and noise in the gears. Gear shifting efficiency improvement with an aim to achieve smooth, quick and energy efficient power transmission remains a challenge for the automotive industry. Performance of the synchronizer is dependent on the features and characteristics of its sub-components and therefore analysis of the contribution of such characteristics is necessary. An important exercise involved is to identify all such characteristics or factors which are associated with the modeling and analysis and for this purpose the literature was reviewed, rather extensively, to study the mathematical models, formulated considering such. It has been observed that certain factors are rather common across models; however, there are few factors which have specifically been selected for individual models, as reported. In order to obtain a more realistic model, an attempt here has been made to identify and assimilate practically all possible factors which may be considered in formulating the model more comprehensively. A simulation study, formulated as a block model, for such analysis has been carried out in a reliable environment like MATLAB. Lower synchronization time is desirable and hence, it has been considered here as the output factors in the simulation modeling for evaluating transmission efficiency. An improved synchronizer model requires optimized values of sub-component design parameters. A parametric optimization utilizing Taguchi’s design of experiment based response data and their analysis has been carried out for this purpose. The effectiveness of the optimized parameters for the improved synchronizer performance has been validated by the simulation study of the synchronizer block model with improved parameter values as input parameters for better transmission efficiency and driver comfort.

Keywords: design of experiments, modeling, parametric optimization, simulation, synchronizer

Procedia PDF Downloads 289
5004 A Novel Model for Saturation Velocity Region of Graphene Nanoribbon Transistor

Authors: Mohsen Khaledian, Razali Ismail, Mehdi Saeidmanesh, Mahdiar Hosseinghadiry

Abstract:

A semi-analytical model for impact ionization coefficient of graphene nanoribbon (GNR) is presented. The model is derived by calculating probability of electrons reaching ionization threshold energy Et and the distance traveled by electron gaining Et. In addition, ionization threshold energy is semi-analytically modeled for GNR. We justify our assumptions using analytic modeling and comparison with simulation results. Gaussian simulator together with analytical modeling is used in order to calculate ionization threshold energy and Kinetic Monte Carlo is employed to calculate ionization coefficient and verify the analytical results. Finally, the profile of ionization is presented using the proposed models and simulation and the results are compared with that of silicon.

Keywords: nanostructures, electronic transport, semiconductor modeling, systems engineering

Procedia PDF Downloads 459
5003 Simulation Research of the Aerodynamic Drag of 3D Structures for Individual Transport Vehicle

Authors: Pawel Magryta, Mateusz Paszko

Abstract:

In today's world, a big problem of individual mobility, especially in large urban areas, occurs. Commonly used grand way of transport such as buses, trains or cars do not fulfill their tasks, i.e. they are not able to meet the increasing mobility needs of the growing urban population. Additional to that, the limitations of civil infrastructure construction in the cities exist. Nowadays the most common idea is to transfer the part of urban transport on the level of air transport. However to do this, there is a need to develop an individual flying transport vehicle. The biggest problem occurring in this concept is the type of the propulsion system from which the vehicle will obtain a lifting force. Standard propeller drives appear to be too noisy. One of the ideas is to provide the required take-off and flight power by the machine using the innovative ejector system. This kind of the system will be designed through a suitable choice of the three-dimensional geometric structure with special shape of nozzle in order to generate overpressure. The authors idea is to make a device that would allow to cumulate the overpressure using the a five-sided geometrical structure that will be limited on the one side by the blowing flow of air jet. In order to test this hypothesis a computer simulation study of aerodynamic drag of such 3D structures have been made. Based on the results of these studies, the tests on real model were also performed. The final stage of work was a comparative analysis of the results of simulation and real tests. The CFD simulation studies of air flow was conducted using the Star CD - Star Pro 3.2 software. The design of virtual model was made using the Catia v5 software. Apart from the objective to obtain advanced aviation propulsion system, all of the tests and modifications of 3D structures were also aimed at achieving high efficiency of this device while maintaining the ability to generate high value of overpressures. This was possible only in case of a large mass flow rate of air. All these aspects have been possible to verify using CFD methods for observing the flow of the working medium in the tested model. During the simulation tests, the distribution and size of pressure and velocity vectors were analyzed. Simulations were made with different boundary conditions (supply air pressure), but with a fixed external conditions (ambient temp., ambient pressure, etc.). The maximum value of obtained overpressure is 2 kPa. This value is too low to exploit the power of this device for the individual transport vehicle. Both the simulation model and real object shows a linear dependence of the overpressure values obtained from the different geometrical parameters of three-dimensional structures. Application of computational software greatly simplifies and streamlines the design and simulation capabilities. This work has been financed by the Polish Ministry of Science and Higher Education.

Keywords: aviation propulsion, CFD, 3d structure, aerodynamic drag

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5002 OpenMP Parallelization of Three-Dimensional Magnetohydrodynamic Code FOI-PERFECT

Authors: Jiao F. Huang, Shi Chen, Shu C. Duan, Gang H. Wang

Abstract:

Due to its complex spatial structure as well as dynamic temporal evolution, an analytic solution of an X-pinch process is out of question, and numerical simulation becomes an important tool in X-pinch studies. Intrinsically, simulations of X-pinch are three-dimensional (3D) because of the specific structure of its load. Furthermore, in order to resolve both its μm-scales and ns-durations, fine spatial mesh grid and short time steps are usually adopted. The resulting large computational scales make the parallelization of codes a vital problem to be solved if any practical simulations are to be carried out. In this work, we report OpenMP parallelization of our 3D magnetohydrodynamic (MHD) code FOI-PERFECT. Results of test runs confirm that computational efficiency has been improved after parallelization, and both the sequential and parallel versions give the same physical results under the same initial conditions.

Keywords: MHD simulation, OpenMP, parallelization, X-pinch

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5001 Accelerated Molecular Simulation: A Convolution Approach

Authors: Jannes Quer, Amir Niknejad, Marcus Weber

Abstract:

Computational Drug Design is often based on Molecular Dynamics simulations of molecular systems. Molecular Dynamics can be used to simulate, e.g., the binding and unbinding event of a small drug-like molecule with regard to the active site of an enzyme or a receptor. However, the time-scale of the overall binding event is many orders of magnitude longer than the time-scale of simulation. Thus, there is a need to speed-up molecular simulations. In order to speed up simulations, the molecular dynamics trajectories have to be ”steared” out of local minimizers of the potential energy surface – the so-called metastabilities – of the molecular system. Increasing the kinetic energy (temperature) is one possibility to accelerate simulated processes. However, with temperature the entropy of the molecular system increases, too. But this kind ”stearing” is not directed enough to stear the molecule out of the minimum toward the saddle point. In this article, we give a new mathematical idea, how a potential energy surface can be changed in such a way, that entropy is kept under control while the trajectories are still steared out of the metastabilities. In order to compute the unsteared transition behaviour based on a steared simulation, we propose to use extrapolation methods. In the end we mathematically show, that our method accelerates the simulations along the direction, in which the curvature of the potential energy surface changes the most, i.e., from local minimizers towards saddle points.

Keywords: extrapolation, Eyring-Kramers, metastability, multilevel sampling

Procedia PDF Downloads 310
5000 Simulation-Based Diversity Management in Human-Robot Collaborative Scenarios

Authors: Titanilla Komenda, Viktorio Malisa

Abstract:

In this paper, the influence of diversity-related factors on the design of collaborative scenarios is analysed. Based on the evaluation, a framework for simulating human-robot-collaboration is presented that considers both human factors as well as the overall system performance. The implementation of the model is shown on a real-life scenario from industry and validated in terms of traceability, safety and physical limitations. By comparing scenarios that consider diversity with those only meeting system performance, an overall understanding of individually adapted human-robot-collaborative workspaces is reached. A diversity-related guideline for human-robot-collaborations provides a summary of the research and aids in optimizing future applications. Finally, limitations and future amendments of the model are discussed.

Keywords: diversity, human-machine system, human-robot collaboration, simulation

Procedia PDF Downloads 284
4999 Analysis of Evolution of Higher Order Solitons by Numerical Simulation

Authors: K. Khadidja

Abstract:

Solitons are stable solution of nonlinear Schrodinger equation. Their stability is due to the exact combination between nonlinearity and dispersion which causes pulse broadening. Higher order solitons are born when nonlinear length is N multiple of dispersive length. Soliton order is determined by the number N itself. In this paper, evolution of higher order solitons is illustrated by simulation using Matlab. Results show that higher order solitons change their shape periodically, the reason why they are bad for transmission comparing to fundamental solitons which are constant. Partial analysis of a soliton of higher order explains that the periodic shape is due to the interplay between nonlinearity and dispersion which are not equal during a period. This class of solitons has many applications such as generation of supercontinuum and the impulse compression on the Femtosecond scale. As a conclusion, the periodicity which is harmful to transmission can be beneficial in other applications.

Keywords: dispersion, nonlinearity, optical fiber, soliton

Procedia PDF Downloads 155
4998 Fast Aerodynamic Evaluation of Transport Aircraft in Early Phases

Authors: Xavier Bertrand, Alexandre Cayrel

Abstract:

The early phase of an aircraft development is instrumental as it really drives the potential of a new concept. Any weakness in the high-level design (wing planform, moveable surfaces layout etc.) will be extremely difficult and expensive to recover later in the aircraft development process. Aerodynamic evaluation in this very early development phase is driven by two main criteria: a short lead-time to allow quick iterations of the geometrical design, and a high quality of the calculations to get an accurate & reliable assessment of the current status. These two criteria are usually quite contradictory. Actually, short lead time of a couple of hours from end-to-end can be obtained with very simple tools (semi-empirical methods for instance) although their accuracy is limited, whereas higher quality calculations require heavier/more complex tools, which obviously need more complex inputs as well, and a significantly longer lead time. At this point, the choice has to be done between accuracy and lead-time. A brand new approach has been developed within Airbus, aiming at obtaining quickly high quality evaluations of the aerodynamic of an aircraft. This methodology is based on a joint use of Surrogate Modelling and a lifting line code. The Surrogate Modelling is used to get the wing sections characteristics (e.g. lift coefficient vs. angle of attack), whatever the airfoil geometry, the status of the moveable surfaces (aileron/spoilers) or the high-lift devices deployment. From these characteristics, the lifting line code is used to get the 3D effects on the wing whatever the flow conditions (low/high Mach numbers etc.). This methodology has been applied successfully to a concept of medium range aircraft.

Keywords: aerodynamics, lifting line, surrogate model, CFD

Procedia PDF Downloads 332
4997 Numerical Simulation of Fluid Structure Interaction Using Two-Way Method

Authors: Samira Laidaoui, Mohammed Djermane, Nazihe Terfaya

Abstract:

The fluid-structure coupling is a natural phenomenon which reflects the effects of two continuums: fluid and structure of different types in the reciprocal action on each other, involving knowledge of elasticity and fluid mechanics. The solution for such problems is based on the relations of continuum mechanics and is mostly solved with numerical methods. It is a computational challenge to solve such problems because of the complex geometries, intricate physics of fluids, and complicated fluid-structure interactions. The way in which the interaction between fluid and solid is described gives the largest opportunity for reducing the computational effort. In this paper, a problem of fluid structure interaction is investigated with two-way coupling method. The formulation Arbitrary Lagrangian-Eulerian (ALE) was used, by considering a dynamic grid, where the solid is described by a Lagrangian formulation and the fluid by a Eulerian formulation. The simulation was made on the ANSYS software.

Keywords: ALE, coupling, FEM, fluid-structure, interaction, one-way method, two-way method

Procedia PDF Downloads 664
4996 Evaluation of Ceres Wheat and Rice Model for Climatic Conditions in Haryana, India

Authors: Mamta Rana, K. K. Singh, Nisha Kumari

Abstract:

The simulation models with its soil-weather-plant atmosphere interacting system are important tools for assessing the crops in changing climate conditions. The CERES-Wheat & Rice vs. 4.6 DSSAT was calibrated and evaluated for one of the major producers of wheat and rice state- Haryana, India. The simulation runs were made under irrigated conditions and three fertilizer applications dose of N-P-K to estimate crop yield and other growth parameters along with the phenological development of the crop. The genetic coefficients derived by iteratively manipulating the relevant coefficients that characterize the phenological process of wheat and rice crop to the best fit match between the simulated and observed anthesis, physological maturity and final grain yield. The model validated by plotting the simulated and remote sensing derived LAI. LAI product from remote sensing provides the edge of spatial, timely and accurate assessment of crop. For validating the yield and yield components, the error percentage between the observed and simulated data was calculated. The analysis shows that the model can be used to simulate crop yield and yield components for wheat and rice cultivar under different management practices. During the validation, the error percentage was less than 10%, indicating the utility of the calibrated model for climate risk assessment in the selected region.

Keywords: simulation model, CERES-wheat and rice model, crop yield, genetic coefficient

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4995 The Analysis of TRACE/FRAPTRAN in the Fuel Rods of Maanshan PWR for LBLOCA

Authors: J. R. Wang, W. Y. Li, H. T. Lin, J. H. Yang, C. Shih, S. W. Chen

Abstract:

Fuel rod analysis program transient (FRAPTRAN) code was used to study the fuel rod performance during a postulated large break loss of coolant accident (LBLOCA) in Maanshan nuclear power plant (NPP). Previous transient results from thermal hydraulic code, TRACE, with the same LBLOCA scenario, were used as input boundary conditions for FRAPTRAN. The simulation results showed that the peak cladding temperatures and the fuel center line temperatures were all below the 10CFR50.46 LOCA criteria. In addition, the maximum hoop stress was 18 MPa and the oxide thickness was 0.003 mm for the present simulation cases, which are all within the safety operation ranges. The present study confirms that this analysis method, the FRAPTRAN code combined with TRACE, is an appropriate approach to predict the fuel integrity under LBLOCA with operational ECCS.

Keywords: FRAPTRAN, TRACE, LOCA, PWR

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4994 2D Monte Carlo Simulation of Grain Growth under Transient Conditions

Authors: K. R. Phaneesh, Anirudh Bhat, G. Mukherjee, K. T. Kashyap

Abstract:

Extensive Monte Carlo Potts model simulations were performed on 2D square lattice to investigate the effects of simulated higher temperatures effects on grain growth kinetics. A range of simulation temperatures (KTs) were applied on a matrix of size 10002 with Q-state 64, dispersed with a wide range of second phase particles, ranging from 0.001 to 0.1, and then run to 100,000 Monte Carlo steps. The average grain size, the largest grain size and the grain growth exponent were evaluated for all particle fractions and simulated temperatures. After evaluating several growth parameters, the critical temperature for a square lattice, with eight nearest neighbors, was found to be KTs = 0.4.

Keywords: average grain size, critical temperature, grain growth exponent, Monte Carlo steps

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4993 Finite Element Modelling for the Development of a Planar Ultrasonic Dental Scaler for Prophylactic and Periodontal Care

Authors: Martin Hofmann, Diego Stutzer, Thomas Niederhauser, Juergen Burger

Abstract:

Dental biofilm is the main etiologic factor for caries, periodontal and peri-implant infections. In addition to the risk of tooth loss, periodontitis is also associated with an increased risk of systemic diseases such as atherosclerotic cardiovascular disease and diabetes. For this reason, dental hygienists use ultrasonic scalers for prophylactic and periodontal care of the teeth. However, the current instruments are limited to their dimensions and operating frequencies. The innovative design of a planar ultrasonic transducer introduces a new type of dental scalers. The flat titanium-based design allows the mass to be significantly reduced compared to a conventional screw-mounted Langevin transducer, resulting in a more efficient and controllable scaler. For the development of the novel device, multi-physics finite element analysis was used to simulate and optimise various design concepts. This process was supported by prototyping and electromechanical characterisation. The feasibility and potential of a planar ultrasonic transducer have already been confirmed by our current prototypes, which achieve higher performance compared to commercial devices. Operating at the desired resonance frequency of 28 kHz with a driving voltage of 40 Vrms results in an in-plane tip oscillation with a displacement amplitude of up to 75 μm by having less than 8 % out-of-plane movement and an energy transformation factor of 1.07 μm/mA. In a further step, we will adapt the design to two additional resonance frequencies (20 and 40 kHz) to obtain information about the most suitable mode of operation. In addition to the already integrated characterization methods, we will evaluate the clinical efficiency of the different devices in an in vitro setup with an artificial biofilm pocket model.

Keywords: ultrasonic instrumentation, ultrasonic scaling, piezoelectric transducer, finite element simulation, dental biofilm, dental calculus

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4992 Assessment of a Coupled Geothermal-Solar Thermal Based Hydrogen Production System

Authors: Maryam Hamlehdar, Guillermo A. Narsilio

Abstract:

To enhance the feasibility of utilising geothermal hot sedimentary aquifers (HSAs) for clean hydrogen production, one approach is the implementation of solar-integrated geothermal energy systems. This detailed modelling study conducts a thermo-economic assessment of an advanced Organic Rankine Cycle (ORC)-based hydrogen production system that uses low-temperature geothermal reservoirs, with a specific focus on hot sedimentary aquifers (HSAs) over a 30-year period. In the proposed hybrid system, solar-thermal energy is used to raise the water temperature extracted from the geothermal production well. This temperature increase leads to a higher steam output, powering the turbine and subsequently enhancing the electricity output for running the electrolyser. Thermodynamic modeling of a parabolic trough solar (PTS) collector is developed and integrated with modeling for a geothermal-based configuration. This configuration includes a closed regenerator cycle (CRC), proton exchange membrane (PEM) electrolyser, and thermoelectric generator (TEG). Following this, the study investigates the impact of solar energy use on the temperature enhancement of the geothermal reservoir. It assesses the resulting consequences on the lifecycle performance of the hydrogen production system in comparison with a standalone geothermal system. The results indicate that, with the appropriate solar collector area, a combined solar-geothermal hydrogen production system outperforms a standalone geothermal system in both cost and rate of production. These findings underscore a solar-assisted geothermal hybrid system holds the potential to generate lower-cost hydrogen with enhanced efficiency, thereby boosting the appeal of numerous low to medium-temperature geothermal sources for hydrogen production.

Keywords: clean hydrogen production, integrated solar-geothermal, low-temperature geothermal energy, numerical modelling

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4991 Using TRACE and SNAP Codes to Establish the Model of Maanshan PWR for SBO Accident

Authors: B. R. Shen, J. R. Wang, J. H. Yang, S. W. Chen, C. Shih, Y. Chiang, Y. F. Chang, Y. H. Huang

Abstract:

In this research, TRACE code with the interface code-SNAP was used to simulate and analyze the SBO (station blackout) accident which occurred in Maanshan PWR (pressurized water reactor) nuclear power plant (NPP). There are four main steps in this research. First, the SBO accident data of Maanshan NPP were collected. Second, the TRACE/SNAP model of Maanshan NPP was established by using these data. Third, this TRACE/SNAP model was used to perform the simulation and analysis of SBO accident. Finally, the simulation and analysis of SBO with mitigation equipments was performed. The analysis results of TRACE are consistent with the data of Maanshan NPP. The mitigation equipments of Maanshan can maintain the safety of Maanshan in the SBO according to the TRACE predictions.

Keywords: pressurized water reactor (PWR), TRACE, station blackout (SBO), Maanshan

Procedia PDF Downloads 177