Search results for: Generalized extreme value (GEV)
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 584

Search results for: Generalized extreme value (GEV)

254 A Robust Software for Advanced Analysis of Space Steel Frames

Authors: Viet-Hung Truong, Seung-Eock Kim

Abstract:

This paper presents a robust software package for practical advanced analysis of space steel framed structures. The pre- and post-processors of the presented software package are coded in the C++ programming language while the solver is written by using the FORTRAN programming language. A user-friendly graphical interface of the presented software is developed to facilitate the modeling process and result interpretation of the problem. The solver employs the stability functions for capturing the second-order effects to minimize modeling and computational time. Both the plastic-hinge and fiber-hinge beam-column elements are available in the presented software. The generalized displacement control method is adopted to solve the nonlinear equilibrium equations.

Keywords: Advanced analysis, beam-column, fiber-hinge, plastic hinge, steel frame.

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253 Analyzing the Factors Effecting the Passenger Car Breakdowns using Com-Poisson GLM

Authors: N. Mamode Khan, V. Jowaheer

Abstract:

Number of breakdowns experienced by a machinery is a highly under-dispersed count random variable and its value can be attributed to the factors related to the mechanical input and output of that machinery. Analyzing such under-dispersed count observations as a function of the explanatory factors has been a challenging problem. In this paper, we aim at estimating the effects of various factors on the number of breakdowns experienced by a passenger car based on a study performed in Mauritius over a year. We remark that the number of passenger car breakdowns is highly under-dispersed. These data are therefore modelled and analyzed using Com-Poisson regression model. We use quasi-likelihood estimation approach to estimate the parameters of the model. Under-dispersion parameter is estimated to be 2.14 justifying the appropriateness of Com-Poisson distribution in modelling under-dispersed count responses recorded in this study.

Keywords: Breakdowns, under-dispersion, com-poisson, generalized linear model, quasi-likelihood estimation

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252 Tidal Flow Patterns Near A Coastal Headland

Authors: Fu E. Tang, Daoyi Chen

Abstract:

Experimental investigations were carried out in the Manchester Tidal flow Facility (MTF) to study the flow patterns in the region around and adjacent to a hypothetical headland in tidal (oscillatory) ambient flow. The Planar laser-induced fluorescence (PLIF) technique was used for visualization, with fluorescent dye released at specific points around the headland perimeter and in its adjacent recirculation zone. The flow patterns can be generalized into the acceleration, stable flow and deceleration stages for each halfcycle, with small variations according to location, which are more distinct for low Keulegan-Carpenter number (KC) cases. Flow patterns in the mixing region are unstable and complex, especially in the recirculation zone. The flow patterns are in agreement with previous visualizations, and support previous results in steady ambient flow. It is suggested that the headland lee could be a viable location for siting of pollutant outfalls.

Keywords: Planar laser-induced Fluorescence, recirculation zone, tidal flow, wake flows

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251 A Comparison of the Sum of Squares in Linear and Partial Linear Regression Models

Authors: Dursun Aydın

Abstract:

In this paper, estimation of the linear regression model is made by ordinary least squares method and the partially linear regression model is estimated by penalized least squares method using smoothing spline. Then, it is investigated that differences and similarity in the sum of squares related for linear regression and partial linear regression models (semi-parametric regression models). It is denoted that the sum of squares in linear regression is reduced to sum of squares in partial linear regression models. Furthermore, we indicated that various sums of squares in the linear regression are similar to different deviance statements in partial linear regression. In addition to, coefficient of the determination derived in linear regression model is easily generalized to coefficient of the determination of the partial linear regression model. For this aim, it is made two different applications. A simulated and a real data set are considered to prove the claim mentioned here. In this way, this study is supported with a simulation and a real data example.

Keywords: Partial Linear Regression Model, Linear RegressionModel, Residuals, Deviance, Smoothing Spline.

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250 Chua’s Circuit Regulation Using a Nonlinear Adaptive Feedback Technique

Authors: Abolhassan Razminia, Mohammad-Ali Sadrnia

Abstract:

Chua’s circuit is one of the most important electronic devices that are used for Chaos and Bifurcation studies. A central role of secure communication is devoted to it. Since the adaptive control is used vastly in the linear systems control, here we introduce a new trend of application of adaptive method in the chaos controlling field. In this paper, we try to derive a new adaptive control scheme for Chua’s circuit controlling because control of chaos is often very important in practical operations. The novelty of this approach is for sake of its robustness against the external perturbations which is simulated as an additive noise in all measured states and can be generalized to other chaotic systems. Our approach is based on Lyapunov analysis and the adaptation law is considered for the feedback gain. Because of this, we have named it NAFT (Nonlinear Adaptive Feedback Technique). At last, simulations show the capability of the presented technique for Chua’s circuit.

Keywords: Chaos, adaptive control, nonlinear control, Chua's circuit.

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249 Riemann-Liouville Fractional Calculus and Multiindex Dzrbashjan-Gelfond-Leontiev Differentiation and Integration with Multiindex Mittag-Leffler Function

Authors: U.K. Saha, L.K. Arora

Abstract:

The multiindex Mittag-Leffler (M-L) function and the multiindex Dzrbashjan-Gelfond-Leontiev (D-G-L) differentiation and integration play a very pivotal role in the theory and applications of generalized fractional calculus. The object of this paper is to investigate the relations that exist between the Riemann-Liouville fractional calculus and multiindex Dzrbashjan-Gelfond-Leontiev differentiation and integration with multiindex Mittag-Leffler function.

Keywords: Multiindex Mittag-Leffler function, Multiindex Dzrbashjan-Gelfond-Leontiev differentiation and integration, Riemann-Liouville fractional integrals and derivatives.

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248 A Survey on the Requirements of University Course Timetabling

Authors: Nurul Liyana Abdul Aziz, Nur Aidya Hanum Aizam

Abstract:

Course timetabling problems occur every semester in a university which includes the allocation of resources (subjects, lecturers and students) to a number of fixed rooms and timeslots. The assignment is carried out in a way such that there are no conflicts within rooms, students and lecturers, as well as fulfilling a range of constraints. The constraints consist of rules and policies set up by the universities as well as lecturers’ and students’ preferences of courses to be allocated in specific timeslots. This paper specifically focuses on the preferences of the course timetabling problem in one of the public universities in Malaysia. The demands will be considered into our existing mathematical model to make it more generalized and can be used widely. We have distributed questionnaires to a number of lecturers and students of the university to investigate their demands and preferences for their desired course timetable. We classify the preferences thus converting them to construct one mathematical model that can produce such timetable.

Keywords: University course timetabling problem, integer programming, preferences, constraints.

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247 Baseline Performance of Notebook Computer under Various Environmental and Usage Conditions for Prognostics

Authors: Sachin Kumar, Michael Pecht

Abstract:

A study was conducted to formally characterize notebook computer performance under various environmental and usage conditions. Software was developed to collect data from the operating system of the computer. An experiment was conducted to evaluate the performance parameters- variations, trends, and correlations, as well as the extreme value they can attain in various usage and environmental conditions. An automated software script was written to simulate user activity. The variability of each performance parameter was addressed by establishing the empirical relationship between performance parameters. These equations were presented as baseline estimates for performance parameters, which can be used to detect system deviations from normal operation and for prognostic assessment. The effect of environmental factors, including different power sources, ambient temperatures, humidity, and usage, on performance parameters of notebooks was studied.

Keywords: Health monitoring, Electronic prognostics, Reliability, Usage monitoring, Notebook computer.

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246 Monitoring of Dielectric Losses and Use of Ferrofluids for Bushing Cooling

Authors: S. D. Nedelcut, V. Proca, D. M. Purcaru

Abstract:

At present, the tendency to implement the conditionbased maintenance (CBM), which allows the optimization of the expenses for equipment monitoring, is more and more evident; also, the transformer substations with remote monitoring are increasingly used. This paper reviews all the advantages of the on-line monitoring and presents an equipment for on-line monitoring of bushings, which is the own contribution of specialists who are the authors of this paper. The paper presents a study of the temperature field, using the finite element method. For carrying out this study, the 3D modelling of the above mentioned bushing was performed. The analysis study is done taking into account the extreme thermal stresses, focusing at the level of the first cooling wing section of the ceramic insulator. This fact enables to justify the tanδ variation in time, depending on the transformer loading and the environmental conditions. With a view to reducing the variation of dielectric losses in bushing insulation, the use of ferrofuids instead of mineral oils is proposed.

Keywords: Monitoring, dielectric losses, ferrofluids, bushing.

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245 Environmental Limits of Using Newly Developed Progressive Polymer Protection and Repair Systems

Authors: J. Hodna, B. Dohnalkova, V. Petranek, R. Drochytka

Abstract:

The paper is focused on the identification of limiting environmental factors of individual industrial floors on which newly developed polymer protection and repair systems with the use of secondary raw materials will be used. These mainly include floors with extreme stresses and special requirements for materials used. In relation to the environment of a particular industrial floor, it is necessary to ensure, for example, chemical stability, resistance to higher temperatures, resistance to higher mechanical stress, etc. for developed materials, which is reflected in the demands for the developed material systems. The paper describes individual environments and, in relation to them, also requirements for individual components of the developed materials and for the developed materials as a whole.

Keywords: Limits, environment, polymer, industrial floors, recycling, secondary raw material, protective system.

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244 The Influence of Water Ingress to Aircraft Cabin Components

Authors: Nils Ischdonat

Abstract:

The accomplished study is based on the appointment and identification of ageing effects and according to this absorption of moisture of aircraft cabin components over the life-cycle. In the first step of the study ceiling panels from same age and from the same aircraft cabin have been examined according to weight changes depending on the position in the aircraft cabin. In the second step of the study different aged ceiling panels have been examined concerning deflection, weight changes and the acoustic sound transmission loss. To prove the assumption of water absorption within the study and with the theoretical background from literature and scientific papers, an older test panel was exposed extreme thermal conditions (humidity and temperature) within a climate chamber to show that there is a general ingress of water to cabin components and that this ingress of water leads to the change of different mechanical properties.

Keywords: Aircraft Cabin, water ingress, ageing effects, sound transmission loss

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243 Temperature Effect on Sound Propagation in an Elastic Pipe with Viscoelastic Liquid

Authors: S. Levitsky, R. Bergman

Abstract:

Fluid rheology may have essential impact on sound propagation in a liquid-filled pipe, especially, in a low frequency range. Rheological parameters of liquid are temperature-sensitive, which ultimately results in a temperature dependence of the wave speed and attenuation in the waveguide. The study is devoted to modeling of this effect at sound propagation in an elastic pipe with polymeric liquid, described by generalized Maxwell model with non-zero high-frequency viscosity. It is assumed that relaxation spectrum is distributed according to the Spriggs law; temperature impact on the liquid rheology is described on the basis of the temperature-superposition principle and activation theory. The dispersion equation for the waveguide, considered as a thin-walled tube with polymeric solution, is obtained within a quasi-one-dimensional formulation. Results of the study illustrate the influence of temperature on sound propagation in the system.

Keywords: Elastic tube, sound propagation, temperature effect, viscoelastic liquid.

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242 High-Voltage Resonant Converter with Extreme Load Variation: Design Criteria and Applications

Authors: Jose A. Pomilio, Olavo Bet, Mateus P. Vieira

Abstract:

The power converter that feeds high-frequency, highvoltage transformers must be carefully designed due to parasitic components, mainly the secondary winding capacitance and the leakage inductance, that introduces resonances in relatively lowfrequency range, next to the switching frequency. This paper considers applications in which the load (resistive) has an unpredictable behavior, changing from open to short-circuit condition faster than the output voltage control loop could react. In this context, to avoid overvoltage and over current situations, that could damage the converter, the transformer or the load, it is necessary to find an operation point that assure the desired output voltage in spite of the load condition. This can done adjusting the frequency response of the transformer adding an external inductance, together with selecting the switching frequency to get stable output voltage independently of the load.

Keywords: High-voltage transformer, Resonant converter, Softcommutation.

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241 Application of Sorptive Passive Panels for Reducing Indoor Formaldehyde Level: Effect of Environmental Conditions

Authors: Mitra Bahri, Jean Leopold Kabambi, Jacqueline Yakobi-Hancock, William Render, Stephanie So

Abstract:

Reducing formaldehyde concentration in residential buildings is an important challenge, especially during the summer. In this study, a ceiling tile was used as a sorptive passive panel for formaldehyde removal. The performance of this passive panel was evaluated under different environmental conditions. The results demonstrated that the removal efficiency is comprised between 40% and 71%. Change in the level of relative humidity (30%, 50%, and 75%) had a slight positive effect on the sorption capacity. However, increase in temperature from 21 °C to 26 °C led to approximately 7% decrease in the average formaldehyde removal performance. GC/MS and HPLC analysis revealed the formation of different by-products at low concentrations under extreme environmental conditions. These findings suggest that the passive panel selected for this study holds the potential to be used for formaldehyde removal under various conditions.

Keywords: Formaldehyde, indoor air quality, passive panel, removal efficiency, sorption.

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240 Temperature Dependent Interaction Energies among X (=Ru, Rh) Impurities in Pd-Rich PdX Alloys

Authors: M. Asato, C. Liu, N. Fujima, T. Hoshino, Y. Chen, T. Mohri

Abstract:

We study the temperature dependence of the interaction energies (IEs) of X (=Ru, Rh) impurities in Pd, due to the Fermi-Dirac (FD) distribution and the thermal vibration effect by the Debye-Grüneisen model. The n-body (n=2~4) IEs among X impurities in Pd, being used to calculate the internal energies in the free energies of the Pd-rich PdX alloys, are determined uniquely and successively from the lower-order to higher-order, by the full-potential Korringa-Kohn-Rostoker Green’s function method (FPKKR), combined with the generalized gradient approximation in the density functional theory. We found that the temperature dependence of IEs due to the FD distribution, being usually neglected, is very important to reproduce the X-concentration dependence of the observed solvus temperatures of the Pd-rich PdX (X=Ru, Rh) alloys.

Keywords: Full-potential KKR-Green’s function method, Fermi-Dirac distribution, GGA, phase diagram of Pd-rich PdX (X=Ru, Rh) alloys, thermal vibration effect.

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239 Face Recognition with Image Rotation Detection, Correction and Reinforced Decision using ANN

Authors: Hemashree Bordoloi, Kandarpa Kumar Sarma

Abstract:

Rotation or tilt present in an image capture by digital means can be detected and corrected using Artificial Neural Network (ANN) for application with a Face Recognition System (FRS). Principal Component Analysis (PCA) features of faces at different angles are used to train an ANN which detects the rotation for an input image and corrected using a set of operations implemented using another system based on ANN. The work also deals with the recognition of human faces with features from the foreheads, eyes, nose and mouths as decision support entities of the system configured using a Generalized Feed Forward Artificial Neural Network (GFFANN). These features are combined to provide a reinforced decision for verification of a person-s identity despite illumination variations. The complete system performing facial image rotation detection, correction and recognition using re-enforced decision support provides a success rate in the higher 90s.

Keywords: Rotation, Face, Recognition, ANN.

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238 An Earth Mover’s Distance Algorithm Based DDoS Detection Mechanism in SDN

Authors: Yang Zhou, Kangfeng Zheng, Wei Ni, Ren Ping Liu

Abstract:

Software-defined networking (SDN) provides a solution for scalable network framework with decoupled control and data plane. However, this architecture also induces a particular distributed denial-of-service (DDoS) attack that can affect or even overwhelm the SDN network. DDoS attack detection problem has to date been mostly researched as entropy comparison problem. However, this problem lacks the utilization of SDN, and the results are not accurate. In this paper, we propose a DDoS attack detection method, which interprets DDoS detection as a signature matching problem and is formulated as Earth Mover’s Distance (EMD) model. Considering the feasibility and accuracy, we further propose to define the cost function of EMD to be a generalized Kullback-Leibler divergence. Simulation results show that our proposed method can detect DDoS attacks by comparing EMD values with the ones computed in the case without attacks. Moreover, our method can significantly increase the true positive rate of detection.

Keywords: DDoS detection, EMD, relative entropy, SDN.

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237 Target Tracking in Sensor Networks: A Distributed Constraint Satisfaction Approach

Authors: R.Mostafaei, A.Habiboghli, M.R.Meybodi

Abstract:

In distributed resource allocation a set of agents must assign their resources to a set of tasks. This problem arises in many real-world domains such as distributed sensor networks, disaster rescue, hospital scheduling and others. Despite the variety of approaches proposed for distributed resource allocation, a systematic formalization of the problem, explaining the different sources of difficulties, and a formal explanation of the strengths and limitations of key approaches is missing. We take a step towards this goal by using a formalization of distributed resource allocation that represents both dynamic and distributed aspects of the problem. In this paper we present a new idea for target tracking in sensor networks and compare it with previous approaches. The central contribution of the paper is a generalized mapping from distributed resource allocation to DDCSP. This mapping is proven to correctly perform resource allocation problems of specific difficulty. This theoretical result is verified in practice by a simulation on a realworld distributed sensor network.

Keywords: Distributed CSP, Target Tracking, Sensor Network

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236 Study and Evaluation of Added Stresses under Foundation due to Adjacent Structure

Authors: Alireza M. goltabar, Issa shooshpasha , Reza Shamstabar kami , Mostafa Habibi

Abstract:

Added stresses due to adjacent structure should be considered in foundation design and stress control in soil under the structure. This case is considered less than other cases in design and calculation whereas stresses in implementation are greater than analytical stress. Structure load are transmitted to earth by foundation and role of foundation is propagation of load on the continuous and half extreme soil. This act cause that, present stresses lessen to allowable strength of soil. Some researchers such as Boussinesq and westergaurd by using of some assumption studied on this issue, theorically. Target of this paper is study and evaluation of added stresses under structure due to adjacent structure. For this purpose, by using of assumption, theoric relation and numeral methods, effects of adjacent structure with 4 to 10 storeys on the main structure with 4 storeys are studied and effect of parameters and sensitivity of them are evaluated.

Keywords: stress, soil, adjacent structure, foundation, loading.

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235 Evaluation of Progressive Collapse of Transmission Tower

Authors: Jeong-Hwan Choi, Hyo-Sang Park, Tae-Hyung Lee

Abstract:

The transmission tower is one of the crucial lifeline structures in a modern society, and it needs to be protected against extreme loading conditions. However, the transmission tower is a very complex structure and, therefore, it is very difficult to simulate the actual damage and the collapse behavior of the tower structure. In this study, the actual collapse behavior of the transmission tower due to lateral loading conditions such as wind load is evaluated through the computational simulation. For that, a progressive collapse procedure is applied to the simulation. In this procedure, after running the simulation, if a member of the tower structure fails, the failed member is removed and the simulation run again. The 154kV transmission tower is selected for this study. The simulation is performed by nonlinear static analysis procedure, namely pushover analysis, using OpenSEES, an earthquake simulation platform. Three-dimensional finite element models of those towers are developed.

Keywords: Transmission tower, OpenSEES, pushover analysis, progressive collapse.

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234 Clarifications on the Damping Mechanism Related to the Hunting Motion of the Wheel Axle of a High-Speed Railway Vehicle

Authors: Barenten Suciu

Abstract:

In order to explain the damping mechanism, related to the hunting motion of the wheel axle of a high-speed railway vehicle, a generalized dynamic model is proposed. Based on such model, analytic expressions for the damping coefficient and damped natural frequency are derived, without imposing restrictions on the ratio between the lateral and vertical creep coefficients. Influence of the travelling speed, wheel conicity, dimensionless mass of the wheel axle, ratio of the creep coefficients, ratio of the track span to the yawing diameter, etc. on the damping coefficient and damped natural frequency, is clarified.

Keywords: High-speed railway vehicle, hunting motion, wheel axle, damping, creep, vibration model, analysis.

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233 Assessing the Effect of the Shift of Rural Labor towards Non-Agricultural Sectors on Rice Cultivation in the African Environment: Evidence from Sierra Leone

Authors: Alhaji M. H Conteh, Xiangbin Yan, Alfred V Gborie

Abstract:

The crop rice is the staple food of most Sierra Leone with no close substitute. However, its cultivation has been on its last legs over the years. The decline in the domestic rice cultivation has had vicious socio-economic implications such as hiking consumer prices, balance of payment dilemmas with debt burden. The objective of this study is thus, to assess the effect of the shift of rural labour towards non-agricultural sectors on rice cultivation. The tools utilized for analyzing the problem under consideration involved a thorough descriptive statistics and generalized linear model using OLS technique. Increased rural population was established positive and significant in affecting rice cultivation. Fertilizer utilization was insignificant in rice cultivation. For reducing the shift of rural labor force towards nonagricultural sectors, the government should make the agricultural sector very lucrative.

Keywords: Regression Model, Rice Cultivation, Rural Migration, Sierra Leone.

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232 Transient Thermal Stresses of Functionally Graded Thick Hollow Cylinder under the Green-Lindsay Model

Authors: Tariq T. Darabseh

Abstract:

The transient thermoelastic response of thick hollow cylinder made of functionally graded material under thermal loading is studied. The generalized coupled thermoelasticity based on the Green-Lindsay model is used. The thermal and mechanical properties of the functionally graded material are assumed to be varied in the radial direction according to a power law variation as a function of the volume fractions of the constituents. The thermal and elastic governing equations are solved by using Galerkin finite element method. All the finite element calculations were done by using commercial finite element program FlexPDE. The transient temperature, radial displacement, and thermal stresses distribution through the radial direction of the cylinder are plotted.

Keywords: Finite element method, thermal stresses, Green-Lindsay theory, functionally graded material.

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231 Day/Night Detector for Vehicle Tracking in Traffic Monitoring Systems

Authors: M. Taha, Hala H. Zayed, T. Nazmy, M. Khalifa

Abstract:

Recently, traffic monitoring has attracted the attention of computer vision researchers. Many algorithms have been developed to detect and track moving vehicles. In fact, vehicle tracking in daytime and in nighttime cannot be approached with the same techniques, due to the extreme different illumination conditions. Consequently, traffic-monitoring systems are in need of having a component to differentiate between daytime and nighttime scenes. In this paper, a HSV-based day/night detector is proposed for traffic monitoring scenes. The detector employs the hue-histogram and the value-histogram on the top half of the image frame. Experimental results show that the extraction of the brightness features along with the color features within the top region of the image is effective for classifying traffic scenes. In addition, the detector achieves high precision and recall rates along with it is feasible for real time applications.

Keywords: Day/night detector, daytime/nighttime classification, image classification, vehicle tracking, traffic monitoring.

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230 Optimal Linear Quadratic Digital Tracker for the Discrete-Time Proper System with an Unknown Disturbance

Authors: Jason Sheng-Hong Tsai, Faezeh Ebrahimzadeh, Min-Ching Chung, Shu-Mei Guo, Leang-San Shieh, Tzong-Jiy Tsai, Li Wang

Abstract:

In this paper, we first construct a new state and disturbance estimator using discrete-time proportional plus integral observer to estimate the system state and the unknown external disturbance for the discrete-time system with an input-to-output direct-feedthrough term. Then, the generalized optimal linear quadratic digital tracker design is applied to construct a proportional plus integral observer-based tracker for the system with an unknown external disturbance to have a desired tracking performance. Finally, a numerical simulation is given to demonstrate the effectiveness of the new application of our proposed approach.

Keywords: Optimal linear quadratic tracker, proportional plus integral observer, state estimator, disturbance estimator.

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229 A Deterministic Dynamic Programming Approach for Optimization Problem with Quadratic Objective Function and Linear Constraints

Authors: S. Kavitha, Nirmala P. Ratchagar

Abstract:

This paper presents the novel deterministic dynamic programming approach for solving optimization problem with quadratic objective function with linear equality and inequality constraints. The proposed method employs backward recursion in which computations proceeds from last stage to first stage in a multi-stage decision problem. A generalized recursive equation which gives the exact solution of an optimization problem is derived in this paper. The method is purely analytical and avoids the usage of initial solution. The feasibility of the proposed method is demonstrated with a practical example. The numerical results show that the proposed method provides global optimum solution with negligible computation time.

Keywords: Backward recursion, Dynamic programming, Multi-stage decision problem, Quadratic objective function.

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228 Physical Properties of Uranium Dinitride UN2 by Using Density Functional Theory (DFT and DFT+U)

Authors: T. Zergoug, S.H. Abaidia, A. Nedjar, M. Y. Mokeddem

Abstract:

Physical properties of uranium dinitride (UN2) were investigated in detail using first principle calculations based on density functional theory (DFT). To study the strong correlation effects due to 5f uranium valence electrons, the on-site coulomb interaction correction U via the Hubbard-like term (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard-U is strong like Young modulus but for others it is weakly noticeable such as bulk modulus. We noticed also that from U=7.5 eV, elastic results don’t agree with the cubic cell because of the C44 values which turn out to be negative.

Keywords: Ab initio, bulk modulus, DFT, DFT + U.

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227 Computational Studies of Binding Energies and Structures of Methylamine on Functionalized Activated Carbon Surfaces

Authors: R. C. J. Mphahlele, K. Bolton, H. Kasaini

Abstract:

Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Keywords: Activated Carbons, Binding energy, DFT, Force fields.

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226 Cr Induced Magnetization in Zinc-Blende ZnO Based Diluted Magnetic Semiconductors

Authors: Bakhtiar Ul Haq, R. Ahmed, A. Shaari, Mazmira Binti Mohamed, Nisar Ali

Abstract:

The capability of exploiting the electronic charge and spin properties simultaneously in a single material has made diluted magnetic semiconductors (DMS) remarkable in the field of spintronics. We report the designing of DMS based on zinc-blend ZnO doped with Cr impurity. The full potential linearized augmented plane wave plus local orbital FP-L(APW+lo) method in density functional theory (DFT) has been adapted to carry out these investigations. For treatment of exchange and correlation energy, generalized gradient approximations have been used. Introducing Cr atoms in the matrix of ZnO has induced strong magnetic moment with ferromagnetic ordering at stable ground state. Cr:ZnO was found to favor the short range magnetic interaction that reflect tendency of Cr clustering. The electronic structure of ZnO is strongly influenced in the presence of Cr impurity atoms where impurity bands appear in the band gap.

Keywords: ZnO, Density functional theory, Diluted magnetic semiconductors, Ferromagnetic materials, FP-L(APW+lo).

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225 The Impact of Seasonality on Rainfall Patterns: A Case Study

Authors: Priti Kaushik, Randhir Singh Baghel, Somil Khandelwal

Abstract:

This study uses whole-year data from Rajasthan, India, at the meteorological divisional level to analyze and evaluate long-term spatiotemporal trends in rainfall and looked at the data from each of the thirteen tehsils in the Jaipur district to see how the rainfall pattern has altered over the last 10 years. Data on daily rainfall from the Indian Meteorological Department (IMD) in Jaipur are available for the years 2012 through 2021. We mainly focus on comparing data of tehsil wise in the Jaipur district, Rajasthan, India. Also analyzed is the fact that July and August always see higher rainfall than any other month. Rainfall usually starts to rise around week 25th and peaks in weeks 32nd or 33rd. They showed that on several occasions, 2017 saw the least amount of rainfall during a long span of 10 years. The greatest rain fell between 2012 and 2021 in 2013, 2019, and 2020.

Keywords: Data analysis, extreme events, rainfall, descriptive case studies, precipitation temperature.

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