Search results for: molecular dynamic simulation.

Authors: R. Mohan, V. Jadhav, A. Ahmed, J. Rivas, A. Kelkar

Abstract:

Cementitious materials are an excellent example of a composite material with complex hierarchical features and random features that range from nanometer (nm) to millimeter (mm) scale. Multi-scale modeling of complex material systems requires starting from fundamental building blocks to capture the scale relevant features through associated computational models. In this paper, molecular dynamics (MD) modeling is employed to predict the effect of plasticizer additive on the mechanical properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown molecular configuration of CSH, a representative configuration widely accepted in the field of mineral Jennite is employed. The effectiveness of the Molecular Dynamics modeling to understand the predictive influence of material chemistry changes based on molecular / nanoscale models is demonstrated.

Keywords: Cement composite, Mechanical Properties, Molecular Dynamics, Plasticizer additives.

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Authors: M. Sedighizadeh, A. Rezazadeh

Abstract:

Based on the component approach, three kinds of dynamic load models, including a single –motor model, a two-motor model and composite load model have been developed for the stability studies of Khuzestan power system. The study results are presented in this paper. Voltage instability is a dynamic phenomenon and therefore requires dynamic representation of the power system components. Industrial loads contain a large fraction of induction machines. Several models of different complexity are available for the description investigations. This study evaluates the dynamic performances of several dynamic load models in combination with the dynamics of a load changing transformer. Case study is steel industrial substation in Khuzestan power systems.

Keywords: Dynamic load, modeling, Voltage Stability.

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Authors: B. Moaveni, S. Morovati

Abstract:

In recent years, increasing the usage of railway transportations especially in developing countries caused more attention to control systems railway vehicles. Consequently, designing and implementing the modern control systems to improve the operating performance of trains and locomotives become one of the main concerns of researches. Dynamic braking systems is an important safety system which controls the amount of braking torque generated by traction motors, to keep the adhesion coefficient between the wheel-sets and rail road in optimum bound. Adhesion force has an important role to control the braking distance and prevent the wheels from slipping during the braking process. Cascade control structure is one of the best control methods for the wide range of industrial plants in the presence of disturbances and errors. This paper presents cascade control structure based on two forward simple controllers with two feedback loops to control the slip ratio and braking torque. In this structure, the inner loop controls the angular velocity and the outer loop control the longitudinal velocity of the locomotive that its dynamic is slower than the dynamic of angular velocity. This control structure by controlling the torque of DC traction motors, tries to track the desired velocity profile to access the predefined braking distance and to control the slip ratio. Simulation results are employed to show the effectiveness of the introduced methodology in dynamic braking system.

Keywords: Cascade control, dynamic braking system, DC traction motors, slip control.

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Authors: Jiri Barta

Abstract:

This paper deals with a simulation programs and technologies using in the educational process for members of the crisis management. Risk analysis, simulation, preparation and planning are among the main activities of workers of crisis management. Made correctly simulation of emergency defines the extent of the danger. On this basis, it is possible to effectively prepare and plan measures to minimize damage. The paper is focused on simulation programs that are trained at the University of Defence. Implementation of the outputs from simulation programs in decision-making processes of crisis staffs is one of the main tasks of the research project.

Keywords: Crisis Management, Continuity, Critical Infrastructure, Dangerous substance, Education, Flood, Simulation Programs.

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Authors: Rafael Jorge Menezes Santos, Ginalber Luiz de Oliveira Serra, Carlos César Teixeira Ferreira

Abstract:

This paper proposes a methodology for analysis of the dynamic behavior of a robotic manipulator in continuous time. Initially this system (nonlinear system) will be decomposed into linear submodels and analyzed in the context of the Linear and Parameter Varying (LPV) Systems. The obtained linear submodels, which represent the local dynamic behavior of the robotic manipulator in some operating points were grouped in a Takagi-Sugeno fuzzy structure. The obtained fuzzy model was analyzed and validated through analog simulation, as universal approximator of the robotic manipulator.

Keywords: modeling of nonlinear dynamic systems, Takagi- Sugeno fuzzy model, Linear and Parameter Varying (LPV) System.

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Authors: Eugene Kindler

Abstract:

The present paper is oriented to problems of simulation of anticipatory systems, namely those that use simulation models for the aid of anticipation. A certain analogy between use of simulation and imagining will be applied to make the explication more comprehensible. The paper will be completed by notes of problems and by some existing applications. The problems consist in the fact that simulation of the mentioned anticipatory systems end is simulation of simulating systems, i.e. in computer models handling two or more modeled time axes that should be mapped to real time flow in a nondescent manner. Languages oriented to objects, processes and blocks can be used to surmount the problems.

Keywords: Anticipatory systems, Nested computer models, Discrete event simulation, Simula.

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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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Authors: Shiyun Liu

Abstract:

Radiant heating systems work fundamentally differently from air systems by taking advantage of both radiant and convective heat transfer to remove space heating load. There are rare studies on differences of heating systems between all-air system and radiant floor system. This paper uses the method of simulation based on state-space to calculate the indoor temperature and wall temperature of each system and shows how the dynamic heat transfer in rooms conditioned by a radiant system is different from an air system. Then this paper analyses the changes of indoor temperature of these two systems, finding out the differences between all-air heating system and radiant floor heating system to help the designer choose a more suitable heating system.

Keywords: Radiant floor, all-air system, thermal comfort, simulation, heating system.

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Authors: Janis Buls

Abstract:

This paper examines the concept of simulation from a modelling viewpoint. How can one Mealy machine simulate the other one? We create formalism for simulation of Mealy machines. The injective s–morphism of the machine semigroups induces the simulation of machines [1]. We present the example of s–morphism such that it is not a homomorphism of semigroups. The story for the surjective s–morphisms is quite different. These are homomorphisms of semigroups but there exists the surjective s–morphism such that it does not induce the simulation.

Keywords: Mealy machine, simulation, machine semigroup, injective s–morphism, surjective s–morphisms.

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Authors: Spiros Mazarakis, George Matzavinos, Peter P. Groumpos

Abstract:

Economic models are complex dynamic systems with a lot of uncertainties and fuzzy data. Conventional modeling approaches using well known methods and techniques cannot provide realistic and satisfactory answers to today-s challenging economic problems. Qualitative modeling using fuzzy logic and intelligent system theories can be used to model macroeconomic models. Fuzzy Cognitive maps (FCM) is a new method been used to model the dynamic behavior of complex systems. For the first time FCMs and the Mamdani Model of Intelligent control is used to model macroeconomic models. This new model is referred as the Mamdani Rule-Based Fuzzy Cognitive Map (MBFCM) and provides the academic and research community with a new promising integrated advanced computational model. A new economic model is developed for a qualitative approach to Macroeconomic modeling. Fuzzy Controllers for such models are designed. Simulation results for an economic scenario are provided and extensively discussed

Keywords: Macroeconomic Models, Mamdani Rule Based- FCMs(MBFCMs), Qualitative and Dynamics System, Simulation.

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Authors: Aung Myo Thu, Sang Eon Jeon, Yung Hwan Byun, Soo Hyung Park

Abstract:

The unsteady flow field around oscillating OA-209 airfoil at a Reynolds number of 3.5×105 were investigated. Three different reduced frequencies were tested in order to see how it affects the hysteresis loop of an airfoil. At a reduced frequency of 0.05 the deep dynamic stall phenomenon was observed. Lift overshooting was observed as a result of dynamic stall vortex (DSV) shedding. Further investigation was carried out to find out the cause of DSV formation and shedding over airfoil. Particle image velocimetry (PIV) and CFD tools were used and it was found out that dynamic stall separation (DSS), which is separated from leading edge separation (LES) and trailing edge separation (TES), triggered the dynamic stall vortex (DSV).

Keywords: Airfoil Flow, CFD, PIV, Dynamic Stall, Flow Separation.

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Authors: M. Sangeetha, A. Sabari, K. Elakkiya

Abstract:

Recent advancement in wireless internetworking has presented a number of dynamic routing protocols based on sensor networks. At present, a number of revisions are made based on their energy efficiency, lifetime and mobility. However, to the best of our knowledge no extensive survey of this special type has been prepared. At present, review is needed in this area where cluster-based structures for dynamic wireless networks are to be discussed. In this paper, we examine and compare several aspects and characteristics of some extensively explored hierarchical dynamic clustering protocols in wireless sensor networks. This document also presents a discussion on the future research topics and the challenges of dynamic hierarchical clustering in wireless sensor networks.

Keywords: Dynamic cluster, Hierarchical clustering, Wireless sensor networks.

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Authors: M.V. Shyla, K.B. Naidu

Abstract:

The objective of this paper is to develop a computational model of human nasal cavity from computed tomography (CT) scans using MIMICS software. Computational fluid dynamic techniques were employed to understand nasal airflow. Gambit and Fluent software was used to perform CFD simulation. Velocity profiles, iteration plots, pressure distribution, streamline and pathline patterns for steady, laminar airflow inside the human nasal cavity of healthy and also infected persons are presented in detail. The implications for olfaction are visualized. Results are validated with the available numerical and experimental data. The graphs reveal that airflow varies with different anatomical nasal structures and only fraction of the inspired air reaches the olfactory region. The Deviations in the results suggest that the treatment of infected volunteers will improve the olfactory function.

Keywords: CFD techniques, Finite Volume Method, Fluid dynamic sniffing, Human nasal cavity.

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Authors: Masood Uzzafer

Abstract:

A dynamic software risk assessment model is presented. Analogies between dynamic financial analysis and software risk assessment models are established and based on these analogies it suggested that dynamic risk model for software projects is the way to move forward for the risk assessment of software project. It is shown how software risk assessment change during different phases of a software project and hence requires a dynamic risk assessment model to capture these variations. Further evolution of dynamic financial analysis models is discussed and mapped to the evolution of software risk assessment models.

Keywords: Software Risk Assessment, Software ProjectManagement, Software Cost, Dynamic Modeling.

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Authors: R. Masarova, M. Juhas, B. Juhasova, Z. Sutova

Abstract:

In dynamic system theory a mathematical model is often used to describe their properties. In order to find a transfer matrix of a dynamic system we need to calculate an inverse matrix. The paper contains the fusion of the classical theory and the procedures used in the theory of automated control for calculating the inverse matrix. The final part of the paper models the given problem by the Matlab.

Keywords: Dynamic system, transfer matrix, inverse matrix, modeling.

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Authors: Omar.S. Qaftan, T. T. Sabbagh

Abstract:

This paper studies the free-field response by adopting a flexible membrane container as soil boundary for experimental shaking table tests. The influence of the soil container boundary on the soil behaviour and the dynamic soil properties under seismic effect were examined. A flexible container with 1/50 scale factor was adopted in the experimental tests, including construction, instrumentation, and determination of the results of dynamic tests on a shaking table. Horizontal face displacements and accelerations were analysed to determine the influence of the container boundary on the performance of the soil. The outputs results show that the flexible boundary container allows more displacement and larger accelerations. The soil in a rigid wall container cannot deform as similar as the soil in the real field does. Therefore, the response of flexible container tested is believed to be more reliable for soil boundary than that in the rigid container.

Keywords: Soil, boundary, seismic, earthquake, ground motion.

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Authors: A.H.M.A.Rahim

Abstract:

The impact of fixed speed squirrel cage type as well as variable speed doubly fed induction generators (DFIG) on dynamic performance of a multimachine power system has been investigated. Detailed models of the various components have been presented and the integration of asynchronous and synchronous generators has been carried out through a rotor angle based transform. Simulation studies carried out considering the conventional dynamic model of squirrel cage asynchronous generators show that integration, as such, could degrade to the AC system performance transiently. This article proposes a frequency or power controller which can effectively control the transients and restore normal operation of fixed speed induction generator quickly. Comparison of simulation results between classical cage and doubly-fed induction generators indicate that the doubly fed induction machine is more adaptable to multimachine AC system. Frequency controller installed in the DFIG system can also improve its transient profile.

Keywords: Doubly-fed generator, Induction generator, Multimachine system modeling, Wind energy systems

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Authors: L. Dzierzbicka-Głowacka, M. Janecki

Abstract:

Dynamic of phytoplankton blooms in the Baltic Sea has been analyzed applying the numerical ecosystem model 3D CEMBS. The model consists of the hydrodynamic model (POP, version 2.1) and the ice model (CICE, version 4.0), which are imposed by the atmospheric data model (DATM7). The 3D model has an ecosystem module, activated in 2012 in the operational mode. The ecosystem model consists of 11 main variables: biomass of small-size phytoplankton and large-size phytoplankton and cyanobacteria, zooplankton biomass, dissolved and molecular detritus, dissolved oxygen concentration, as well as concentrations of nutrients, including: nitrates, ammonia, phosphates and silicates. The 3D-CEMBS model is an effective tool for solving problems related to phytoplankton blooms dynamic in the Baltic Sea

Keywords: Ecosystem model, phytoplankton, Baltic Sea

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Authors: Y.Srinivasa Kishore Babu, G.Tulasi Ram Das

Abstract:

This paper presents a comparative study of two most popular control strategies for Induction motor (IM) drives: Field-Oriented Control (FOC) and Direct Torque Control (DTC). The comparison is based on various criteria including basic control characteristics, dynamic performance, and implementation complexity. The study is done by simulation using the Simulink Power System Block set that allows a complete representation of the power section (inverter and IM) and the control system.

Keywords: IM, FOC, DTC, Simulink

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Authors: Homa Torabizadeh

Abstract:

This study proposes a basic molecular formula for all proteins. A total of 10,739 proteins belonging to 9 different protein groups classified on the basis of their functions were selected randomly. They included enzymes, storage proteins, hormones, signalling proteins, structural proteins, transport proteins, immunoglobulins or antibodies, motor proteins and receptor proteins. After obtaining the protein molecular formula using the ProtParam tool, the H/C, N/C, O/C, and S/C ratios were determined for each randomly selected sample. In this case, H, N, O, and S coefficients were specified per carbon atom. Surprisingly, the results demonstrated that H, N, O, and S coefficients for all 10,739 proteins are similar and highly correlated. This study demonstrates that despite differences in the structure and function, all known proteins have a similar basic molecular formula CnH1.58 ± 0.015nN0.28 ± 0.005nO0.30 ± 0.007nS0.01 ± 0.002n. The total correlation between all coefficients was found to be 0.9999.

Keywords: Protein molecular formula, Basic unit formula, Protparam tool.

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Authors: Xie Kai, Laith K. Abbas, Chen Dongyang, Yang Fufeng, Rui Xiaoting

Abstract:

Effect of plunging motion on the pitch oscillating NACA0012 airfoil is investigated using computational fluid dynamics (CFD). A simulation model based on overset grid technology and k - ω shear stress transport (SST) turbulence model is established, and the numerical simulation results are compared with available experimental data and other simulations. Two cases of phase angle φ = 0, μ which represents the phase difference between the pitching and plunging motions of an airfoil are performed. Airfoil vortex generation, moving, and shedding are discussed in detail. Good agreements have been achieved with the available literature. The upward plunging motion made the equivalent angle of attack less than the actual one during pitching analysis. It is observed that the formation of the stall vortex is suppressed, resulting in a decrease in the lift coefficient and a delay of the stall angle. However, the downward plunging motion made the equivalent angle of attack higher the actual one.

Keywords: Dynamic stall, pitching-plunging, computational fluid dynamics, helicopter blade rotor, airfoil.

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Authors: Autcha Araveeporn

Abstract:

The Random Coefficient Dynamic Regression (RCDR) model is to developed from Random Coefficient Autoregressive (RCA) model and Autoregressive (AR) model. The RCDR model is considered by adding exogenous variables to RCA model. In this paper, the concept of the Maximum Likelihood (ML) method is used to estimate the parameter of RCDR(1,1) model. Simulation results have shown the AIC and BIC criterion to compare the performance of the the RCDR(1,1) model. The variables as the stationary and weakly stationary data are good estimates where the exogenous variables are weakly stationary. However, the model selection indicated that variables are nonstationarity data based on the stationary data of the exogenous variables.

Keywords: Autoregressive, Maximum Likelihood Method, Nonstationarity, Random Coefficient Dynamic Regression, Stationary.

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Authors: Vicente F. P. Aleixo, Augusto C. F. Saraiva, Jordan Del Nero

Abstract:

The production of devices in nanoscale with specific molecular rectifying function is one of the most significant goals in state-of-art technology. In this work we show by ab initio quantum mechanics calculations coupled with non-equilibrium Green function, the design of an organic two-terminal device. These molecular structures have molecular source and drain with several bridge length (from five up to 11 double bonds). Our results are consistent with significant features as a molecular rectifier and can be raised up as: (a) it can be used as bi-directional symmetrical rectifier; (b) two devices integrated in one (FET with one operational region, and Thyristor thiristor); (c) Inherent stability due small intrinsic capacitance under forward/reverse bias. We utilize a scheme for the transport mechanism based on previous properties of ¤Ç bonds type that can be successfully utilized to construct organic nanodevices.

Keywords: ab initio, Carotenoid, Charge Transfer, Nanodevice

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Authors: Dae-Hee Son, Seung-Hwa Kang, Sang-Hee Kang, Soon-Ryul Nam

Abstract:

Wind farms usually produce power irregularly, due to  unpredictable change of wind speed. Accordingly, we should  determine the penetration limit of wind power to consider stability of  power system and build a facility to control the wind power. The  operational limit of wind power is determined as the minimum  between the technical limit and the dynamic limit of wind power. The  technical limit is calculated by the number of generators and the  dynamic limit is calculated by the constraint of frequency variation  when a wind farm is disconnected suddenly. According to the  determined operational limit of wind power, pitch angles of wind  generators are controlled. PSS/E simulation results show that the pitch  angles were correctly controlled when wind speeds are changed in  addition to loads.

Keywords: Pitch Angle, Dynamic limit, Operational limit, Technical limit.

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Authors: S. V. Yendiyarov

Abstract:

Pattern discovery from time series is of fundamental importance. Particularly, when information about the structure of a pattern is not complete, an algorithm to discover specific patterns or shapes automatically from the time series data is necessary. The dynamic time warping is a technique that allows local flexibility in aligning time series. Because of this, it is widely used in many fields such as science, medicine, industry, finance and others. However, a major problem of the dynamic time warping is that it is not able to work with structural changes of a pattern. This problem arises when the structure is influenced by noise, which is a common thing in practice for almost every application. This paper addresses this problem by means of developing a novel technique called adaptive dynamic time warping.

Keywords: Pattern recognition, optimal control, quadratic programming, dynamic programming, dynamic time warping, sintering control.

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Authors: Mohamed H. Elhsnawi, Mesbah M. Salem, Saleh B. Mohamed

Abstract:

Numerical simulation performed to investigate the behavior of the high pressure hydrogen jetting of air. High pressure hydrogen (30–40 MPa) was injected to air at atmospheric pressure through 2mm orifice. Numerical simulations were performed with Kiva3V code with 2D axisymmetric geometry. Numerical simulations showed that auto ignition of high pressure hydrogen to air are possible due to molecular diffusion. Auto ignition was predicted at hydrogen-air contact surface due to mass and energy exchange between high temperature hydrogen and air heated by shock wave.

Keywords: Spontaneous Ignition, Diffusion Ignition, Hydrogen ignition, Hydrogen Jet.

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Authors: Kamaljit Kaur, Kirti Minhas, Neha Mehan, Namita Kakkar

Abstract:

Software complexity metrics are used to predict critical information about reliability and maintainability of software systems. Object oriented software development requires a different approach to software complexity metrics. Object Oriented Software Metrics can be broadly classified into static and dynamic metrics. Static Metrics give information at the code level whereas dynamic metrics provide information on the actual runtime. In this paper we will discuss the various complexity metrics, and the comparison between static and dynamic complexity.

Keywords: Static Complexity, Dynamic Complexity, Halstead Metric, Mc Cabe's Metric.

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Authors: Xu Zhang, Qi Jiang, Liwei Li, Weiwei Cui, Jijun Cui, Yang Cao, Hairong Zhao

Abstract:

A kind of crash energy absorption structure adopted by vehicle simulator crash testing equipment based on mechanical energy storage was studied. Dynamic explicit finite element simulation was achieved for thin-walled tube structure under different conditions of section shape, thickness and inducement groove style. Crash energy absorption property of the structure was obtained. After optimization, a reasonable structure was given which can meet current vehicle crash regulation. And the optimized structure can be adopted in vehicle simulator, which can increase the practicability of the testing equipment.

Keywords: thin-walled tube structure, crash energy absorption, deceleration, finite element simulation

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Authors: Ma Shidong, He Yuncheng, Wang Zhong, Yang Guoqing

Abstract:

In this paper, enhanced ground proximity warning simulation and validation system is designed and implemented. First, based on square grid and sub-grid structure, the global digital terrain database is designed and constructed. Terrain data searching is implemented through querying the latitude and longitude bands and separated zones of global terrain database with the current aircraft position. A combination of dynamic scheduling and hierarchical scheduling is adopted to schedule the terrain data, and the terrain data can be read and delete dynamically in the memory. Secondly, according to the scope, distance, approach speed information etc. to the dangerous terrain in front, and using security profiles calculating method, collision threat detection is executed in real-time, and provides caution and warning alarm. According to this scheme, the implementation of the enhanced ground proximity warning simulation system is realized. Simulations are carried out to verify a good real-time in terrain display and alarm trigger, and the results show simulation system is realized correctly, reasonably and stable.

Keywords: enhanced ground proximity warning system, digital terrain, look-ahead terrain alarm, terrain display, simulation and validation

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Authors: Engin Yesil, Leon Urbas

Abstract:

Modeling of complex dynamic systems, which are very complicated to establish mathematical models, requires new and modern methodologies that will exploit the existing expert knowledge, human experience and historical data. Fuzzy cognitive maps are very suitable, simple, and powerful tools for simulation and analysis of these kinds of dynamic systems. However, human experts are subjective and can handle only relatively simple fuzzy cognitive maps; therefore, there is a need of developing new approaches for an automated generation of fuzzy cognitive maps using historical data. In this study, a new learning algorithm, which is called Big Bang-Big Crunch, is proposed for the first time in literature for an automated generation of fuzzy cognitive maps from data. Two real-world examples; namely a process control system and radiation therapy process, and one synthetic model are used to emphasize the effectiveness and usefulness of the proposed methodology.

Keywords: Big Bang-Big Crunch optimization, Dynamic Systems, Fuzzy Cognitive Maps, Learning.

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