Search results for: tourism-based social-ecological dynamical systems

Authors: Akila Tayeb-Benmachiche, Saber-Mustapha Zendaoui, Salah-Eddine Bouaoud, Bachir Zouchoune

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The variation of the metal coordination site in π-coordinated polycyclic aromatic hydrocarbons (PAH) corresponds to the haptotropic rearrangement or haptotropic migration in which the metal fragment MLn is considered as the moveable moiety that is shifted between two rings of polycyclic or heteropolycyclic ligands. These structural characteristics and dynamical properties give to this category of transition metal complexes a considerable interest. We have investigated the coordination and the haptotropic shifts of (CO)3Ti and CpV moieties over the phenanthridine aromatic system and according to the metal atom nature. The optimization of (CO)3Ti(PHND) and CpV(PHND), using the Amsterdam Density Functional (ADF) program, without a symmetrical restriction of geometry gives an η6 coordination mode of the C6 and C5N rings, which in turn give rise to a six low-lying deficient 16-MVE of each (CO)3Ti(PHND) and CpV(PHND) structure (three singlet and three triplet state structures for Ti complexes and three triplet and three quintet state structures for V complexes). Thus, the η6–η6 haptotropic migration of the metal fragment MLn from the terminal C6 ring to the central C5N ring has been achieved by a loss of energy. However, its η6–η6 haptotropic migration from central C5N ring to the terminal C6 rings has been accomplished by a gain of energy. These results show the capability of the phenanthridine ligand to adapt itself to the electronic demand of the metal in agreement with the nature of the metal–ligand bonding and demonstrate that this theoretical study can also be applied to large fused π-systems.

Keywords: electronic structure, bonding analysis, density functional theory, coordination chemistry haptotropic migration

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Authors: Hend Alrasheed

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Due to their different properties that have led to avoid several limitations of classic client/server systems, there has been a great interest in the development and the improvement of different peer to peer systems. Understanding the properties of complex peer to peer networks is essential for their future improvements. It was shown that the performances of peer to peer protocols are directly related to their underlying topologies. Therefore, multiple efforts have analyzed the topologies of different peer to peer systems. This study presents an overview of major findings of close experimental analyses to different topologies of three unstructured peer to peer systems: BitTorrent, Gnutella, and FreeNet.

Keywords: peer to peer networks, network topology, graph diameter, clustering coefficient, small-world property, random graph, degree distribution

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Authors: Wang Zhulin, Min Fuhong, Peng Guangya, Wang Yaoda, Cao Yi

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In this paper, a magnetron memristor model based on hyperbolic sine function is presented and the correctness proved by studying the trajectory of its voltage and current phase, and then a memristor chaotic system with the memristor model is presented. The phase trajectories and the bifurcation diagrams and Lyapunov exponent spectrum of the magnetron memristor system are plotted by numerical simulation, and the chaotic evolution with changing the parameters of the system is also given. The paper includes numerical simulations and mathematical model, which confirming that the system, has a wealth of dynamic behavior.

Keywords: memristor, chaotic circuit, dynamical behavior, chaotic system

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Authors: Kun-Peng Jin, Jin Liang, Ti-Jun Xiao

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In this work, we are concerned with the dynamic behaviors of solutions to some coupled systems with infinite memory, which consist of two partial differential equations where only one partial differential equation has damping. Such coupled systems are good mathematical models to describe the deformation and stress characteristics of some viscoelastic materials affected by temperature change, external forces, and other factors. By using the theory of operator semigroups, we give wellposedness results for the Cauchy problem for these coupled systems. Then, with the help of some auxiliary functions and lemmas, which are specially designed for overcoming difficulties in the proof, we show that the solutions of the coupled systems decay to zero in a strong way under a few basic conditions. The results in this dynamic analysis of coupled systems are generalizations of many existing results.

Keywords: dynamic analysis, coupled system, infinite memory, damping.

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Authors: Ali Hamza, Bertug Akintug

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Having an appropriate plan of sanitation systems is one of the critical issues for global urban slums. Poor sanitation systems in urban slums outcomes an enhanced vulnerability of severe diseases, low hygiene and environmental risks within our environment. Mentioning human excreta being one of the most highly risked pollutants among all the other major contributors of sanitation pollutants is increasing public health risks and amounts of pollution loads within the slum environment. Higher population growth, urge of urbanization and illegal status of urban slums makes it impossible to increase the level of performance of sanitation systems in urban slums. According to Sustainable Sanitation Alliance, design parameters for sanitation systems were set up to ensure sustainable environment. This paper reviews the characteristics of human excreta at present, treatment technologies, and procedures of processes that can be adopted feasibly in the urban slums. Keeping these factors as our significant concern of study, assessment of sustainable sanitation systems is done using sanitation chain concept in accordance to the pre-determined sustainability indicators and criteria which reflect the potential and feasible application of waterless sanitation systems bringing sustainable sanitation systems in urban slums.

Keywords: human excreta, sanitation chain, sustainable sanitation systems, urban slums

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Authors: Ankur Jain, W. Wilfred Godfrey

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Embedded systems are usually microcontroller-based systems that represent a class of reliable and dependable dedicated computer systems designed for specific purposes. Micro-controllers are used in most electronic devices in an endless variety of ways. Some micro-controller-based embedded systems are required to respond to external events in the shortest possible time and such systems are known as real-time embedded systems. So in multitasking system there is a need of task Scheduling,there are various scheduling algorithms like Fixed priority Scheduling(FPS),Earliest deadline first(EDF), Rate Monotonic(RM), Deadline Monotonic(DM),etc have been researched. In this Report various conventional algorithms have been reviewed and analyzed, these algorithms consists of single shape task, A new Multishape scheduling algorithms has been proposed and implemented and analyzed.

Keywords: dm, edf, embedded systems, fixed priority, microcontroller, rtos, rm, scheduling algorithms

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Authors: Shadi Motamedighazvini, Roohollah Taherkhani, Mahdi Mahdikhani, Najme Hashempour

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Nowadays, green building rating systems are an inevitable necessity for managing environmental considerations to achieve green buildings. The aim of this paper is to deliver a detailed recognition of what has been the focus of green building policymakers around the world; It is important to conduct this study in a way that can provide a context for researchers who intend to establish or upgrade existing rating systems. In this paper, fifteen rating systems including four worldwide well-known plus eleven local rating systems which have been selected based on the answers to the questionnaires were examined. Their similarities and differences in mandatory and prerequisite clauses, highest and lowest scores for each criterion, the most frequent criteria, and most frequent sub-criteria are determined. The research findings indicated that although the criteria of energy, water, indoor quality (except Homestar), site and materials (except GRIHA) were common core criteria for all rating systems, their sub-criteria were different. This research, as a roadmap, eliminates the lack of a comprehensive reference that encompasses the key criteria of different rating systems. It shows the local systems need to be revised to be more comprehensive and adaptable to their own country’s conditions such as climate.

Keywords: environmental assessment, green buildings, green building criteria, green building rating systems, sustainability, rating tools

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Authors: Mohamed Asaad Abdelrazek, Amir Taher El-Sheikh, M. Zayan, A.M. Elhady

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The successful realization of complex systems is dependent not only on the technology issues and the process for implementing them, but on the management issues as well. Managing the systems development lifecycle requires technical management. Systems engineering management is the technical management. Systems engineering management is accomplished by incorporating many activities. The three major activities are development phasing, systems engineering process and lifecycle integration. Systems engineering management activities are performed across the system development lifecycle. Due to the ever-increasing complexity of systems as well the difficulty of managing and tracking the development activities, new ways to achieve systems engineering management activities are required. This paper presents a systematic approach used as a design management tool applied across systems engineering management roles. In this approach, Transdisciplinary System Development Lifecycle (TSDL) Model has been modified and integrated with Quality Function Deployment. Hereinafter, the name of the systematic approach is the Transdisciplinary Quality System Development Lifecycle (TQSDL) Model. The QFD translates the voice of customers (VOC) into measurable technical characteristics. The modified TSDL model is based on Axiomatic Design developed by Suh which is applicable to all designs: products, processes, systems and organizations. The TQSDL model aims to provide a robust structure and systematic thinking to support the implementation of systems engineering management roles. This approach ensures that the customer requirements are fulfilled as well as satisfies all the systems engineering manager roles and activities.

Keywords: axiomatic design, quality function deployment, systems engineering management, system development lifecycle

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Authors: K. Liagkouras, K. Metaxiotis

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Customer relationship management (CRM) systems in business are a reality of the contemporary business world for the last decade or so. Still, there are grey areas regarding the successful implementation and operation of CRM systems in business. This paper, through the systematic study of the CRM implementation paradigm, attempts to identify the most important challenges and opportunities that the CRM systems face in a rapidly changing business world.

Keywords: customer relationship management, CRM, business, literature review

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Authors: Fatima Faiza Ahmed, Syed Farrukh Hussain

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The last few decades have seen a large proportion of our population bending towards e-learning technologies, starting from learning tools used in primary and elementary schools to competency based e-learning systems specifically designed for applications like finance and marketing. The huge diversity in this crowd brings about a large number of challenges for the designers of these e-learning systems, one of which is the adaptability of such systems. This paper focuses on adaptability in the learning material in an e-learning course and how artificial intelligence and the semantic web can be used as an effective tool for this purpose. The study proved that the semantic web, still a hot topic in the area of computer science can prove to be a powerful tool in designing and implementing adaptable e-learning systems.

Keywords: adaptable e-learning, HTMLParser, information extraction, semantic web

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Authors: Syed Kashif Ali, Usman Javaid, Abdullah Chohan

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In large enterprises multiple departments use different sort of information systems and databases according to their needs. These systems are independent and heterogeneous in nature and sharing information/data between these systems is not an easy task. The usage of middleware technologies have made data sharing between systems very easy. However, monitoring the exchange of data/information for verification purposes between target and source systems is often complex or impossible for maintenance department due to security/access privileges on target and source systems. In this paper, we are intended to present our experience of an end to end data monitoring approach at middle ware level implemented in Oracle BPEL for data verification without any help of monitoring tool.

Keywords: service level agreement, SOA, BPEL, oracle fusion middleware, web service monitoring

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Authors: Michelle Sánchez de León Brajkovich, Nuria Martí Audi

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The envelope is one of the most important elements when one analyzes the operation of the building in terms of sustainability. Taking this into consideration, this research focuses on setting a classification system of the envelopes opaque systems, crossing the knowledge and parameters of construction systems with requirements in terms of sustainability that they may have, to have a better understanding of how these systems work with respect to their sustainable contribution to the building. Therefore, this paper evaluates the importance of the envelope design on the building sustainability. It analyses the parameters that make the construction systems behave differently in terms of sustainability. At the same time it explains the classification process generated from this analysis that results in a classification where all opaque vertical envelope construction systems enter.

Keywords: sustainable, exterior walls, envelope, facades, construction systems, energy efficiency

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Authors: M. J. Park, S. H. Lee, C. H. Lee, O. M. Kwon

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This paper investigates stability problem for linear systems of neutral type with time-varying delay. By constructing various Lyapunov-Krasovskii functional, and utilizing some mathematical techniques, the sufficient stability conditions for the systems are established in terms of linear matrix inequalities (LMIs), which can be easily solved by various effective optimization algorithms. Finally, some illustrative examples are given to show the effectiveness of the proposed criterion.

Keywords: neutral systems, time-delay, stability, Lyapnov method, LMI

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Authors: Elena A. Troubitsyna

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Designers of modern safety-critical control systems are increasingly relying on networking to provide the systems with advanced functionality and satisfy customer’s needs. However, networking nature of modern control systems also brings new technological challenges associated with ensuring system safety in the presence of openness and hence, potential security threats. In this paper, we propose a methodology that relies on systems-theoretic analysis to enable an integrated analysis of safety and security requirements of controlling software. We demonstrate how to create a safety case – a structured argument about system safety – with explicit representation of both safety and security goals. Our approach provides the designers with a systematic approach to analysing safety and security interdependencies while designing safety-critical control systems.

Keywords: controlling software, integrated analysis, security, safety-security co-engineering

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Authors: Jian-Ping Yu, Wen-Xiu Ma, Yong-Li Sun, Chaudry Masood Khalique

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In this paper, a 2d Toda equation is studied, which is a classical integrable system and plays a vital role in mathematics, physics and other areas. New lump-type solution is constructed by using the Hirota bilinear method. One interesting feature of this research is that this lump-type solutions possesses two types of multiple-lump-type waves, which are one- and two-lump-type waves. Moreover, the corresponding 3d plots, density plots and contour plots are given to show the dynamical features of the obtained multiple-lump-type solutions.

Keywords: 2d Toda equation, Hirota bilinear method, Lump-type solution, multiple-lump-type solution

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Authors: Hongmin Deng, Qionghua Wang

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A modified two dimensional (2D) logistic map based on cross feedback control is proposed. This 2D map exhibits more random chaotic dynamical properties than the classic one dimensional (1D) logistic map in the statistical characteristics analysis. So it is utilized as the pseudo-random (PN) sequence generator, where the obtained real-valued PN sequence is quantized at first, then applied to radio frequency identification (RFID) communication system in this paper. This system is experimentally validated on a cortex-M₀ development board, which shows the effectiveness in key generation, the size of key space and security. At last, further cryptanalysis is studied through the test suite in the National Institute of Standards and Technology (NIST).

Keywords: chaos encryption, logistic map, pseudo-random sequence, RFID

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Authors: Saltanat Zhilkibayeva, Muratulla Utenov, Nurzhan Utenov

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The distributed inertia forces of complex nature appear in links of rod mechanisms within the motion process. Such loads raise a number of problems, as the problems of destruction caused by a large force of inertia; elastic deformation of the mechanism can be considerable, that can bring the mechanism out of action. In this work, a new analytical approach for the definition of internal forces in links of robotic systems and mechanisms with statically indeterminate and determinate structures taking into account the distributed inertial and concentrated forces is proposed. The relations between the intensity of distributed inertia forces and link weight with geometrical, physical and kinematic characteristics are determined in this work. The distribution laws of inertia forces and dead weight make it possible at each position of links to deduce the laws of distribution of internal forces along the axis of the link, in which loads are found at any point of the link. The approximation matrixes of forces of an element under the action of distributed inertia loads with the trapezoidal intensity are defined. The obtained approximation matrixes establish the dependence between the force vector in any cross-section of the element and the force vector in calculated cross-sections, as well as allow defining the physical characteristics of the element, i.e., compliance matrix of discrete elements. Hence, the compliance matrixes of an element under the action of distributed inertial loads of trapezoidal shape along the axis of the element are determined. The internal loads of each continual link are unambiguously determined by a set of internal loads in its separate cross-sections and by the approximation matrixes. Therefore, the task is reduced to the calculation of internal forces in a final number of cross-sections of elements. Consequently, it leads to a discrete model of elastic calculation of links of rod mechanisms. The discrete model of the elements of mechanisms and robotic systems and their discrete model as a whole are constructed. The dynamic equilibrium equations for the discrete model of the elements are also received in this work as well as the equilibrium equations of the pin and rigid joints expressed through required parameters of internal forces. Obtained systems of dynamic equilibrium equations are sufficient for the definition of internal forces in links of mechanisms, which structure is statically definable. For determination of internal forces of statically indeterminate mechanisms (in the way of determination of internal forces), it is necessary to build a compliance matrix for the entire discrete model of the rod mechanism, that is reached in this work. As a result by means of developed technique the programs in the MAPLE18 system are made and animations of the motion of the fourth class mechanisms of statically determinate and statically indeterminate structures with construction on links the intensity of cross and axial distributed inertial loads, the bending moments, cross and axial forces, depending on kinematic characteristics of links are obtained.

Keywords: distributed inertial forces, internal forces, statically determinate mechanisms, statically indeterminate mechanisms

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Authors: Lan Yang, Kathryn Cormican, Ming Yu

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ISO/IEC/IEEE 15288: 2015, Systems and Software Engineering - System Life Cycle Processes is an international standard that provides generic top-level process descriptions to support systems engineering (SE). However, the processes defined in the standard needs improvement to lift integrity and consistency. The goal of this research is to explore the way by building an ontology model for the SE standard to manage the knowledge of SE. The ontology model gives a whole picture of the SE knowledge domain by building connections between SE concepts. Moreover, it creates a hierarchical classification of the concepts to fulfil different requirements of displaying and analysing SE knowledge.

Keywords: knowledge management, model-based systems engineering, ontology modelling, systems engineering ontology

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Authors: Manana Chumburidze

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We have considered a non-classical model of dynamical problems for a conjugated system of differential equations arising in thermo-piezoelectricity, which was formulated by Toupin – Mindlin. The basic concepts and the general theory of solvability for isotropic homogeneous elastic media is considered. They are worked by using the methods the Laplace integral transform, potential method and singular integral equations. Approximate solutions of mixed boundary value problems for finite domain, bounded by the some closed surface are constructed. They are solved in explicitly by using the generalized Fourier's series method.

Keywords: thermo-piezoelectricity, boundary value problems, Fourier's series, isotropic homogeneous elastic media

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Authors: G. González, J. Ramírez, A. Rubiano

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This article describes different patented systems for safe use in vehicles based on GPS technology, speed sensors, gyroscopes, maps, communication systems, and monitors, that inform the driver about traffic jam, obstruction in the road, speed limits, among others. Once the information is analyzed and contrasted to final propose new technical needs to be solved.

Keywords: GPS, information technology, telecommunications, communication networks, gyroscope, environmental pollution

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Authors: Gauthier Lefevre, Holger Kohlmann, Sebastien Saitzek, Rachel Desfeux, Adlane Sayede

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Hydrogen is a promising energy carrier, compatible with the sustainable energy concept. In this context, solid-state hydrogen-storage is the key challenge in developing hydrogen economy. The capability of absorption of large quantities of hydrogen makes intermetallic systems of particular interest. In this study, efforts have been devoted to the theoretical investigation of binary systems with constraints consideration. On the one hand, besides considering hydrogen-storage, a reinvestigation of crystal structures of the palladium-arsenic system shows, with experimental validations, that binary systems could still currently present new or unknown relevant structures. On the other hand, various binary Mg-based systems were theoretically scrutinized in order to find new interesting alloys for hydrogen storage. Taking the effect of pressure into account reveals a wide range of alternative structures, changing radically the stable compounds of studied binary systems. Similar constraints, induced by Pulsed Laser Deposition, have been applied to binary systems, and results are presented.

Keywords: binary systems, evolutionary algorithm, first principles study, pulsed laser deposition

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Authors: Dong Sang Yoo

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We consider nonlinear uncertain systems such that a priori information of the uncertainties is not available. For such systems, we assume that the upper bound of the uncertainties is represented as a Fredholm integral equation of the first kind and we propose an adaptation law that is capable of estimating the upper bound and design a continuous robust control which renders nonlinear uncertain systems ultimately bounded.

Keywords: adaptive control, estimation, Fredholm integral, uncertain system

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Authors: Young Hee Geum

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In this paper,we develop the complex dynamics of a family of optimal fourth-order multiple-root solvers and plot their basins of attraction. Mobius conjugacy maps and extraneous fixed points applied to a prototype quadratic polynomial raised to the power of the known integer multiplicity m are investigated. A 300 x 300 uniform grid centered at the origin covering 3 x 3 square region is chosen to visualize the initial values on each basin of attraction in accordance with a coloring scheme based on their dynamical behavior. The illustrative basins of attractions applied to various test polynomials and the corresponding statistical data for convergence are shown to confirm the theoretical convergence.

Keywords: basin of attraction, conjugacy, fourth-order, multiple-root finder

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Authors: Cornelius Femi Popoola

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This study investigated logistics information systems in the distribution of flour in Nigeria. A case study design was used and 50 staff of Honeywell Flour Mill was sampled for the study. Data generated through a questionnaire were analysed using correlation and regression analysis. The findings of the study revealed that logistic information systems such as e-commerce, interactive telephone systems and electronic data interchange positively correlated with the distribution of flour in Honeywell Flour Mill. Finding also deduced that e-commerce, interactive telephone systems and electronic data interchange jointly and positively contribute to the distribution of flour in Honeywell Flour Mill in Nigeria (R = .935; Adj. R2 = .642; F (3,47) = 14.739; p < .05). The study therefore recommended that Honeywell Flour Mill should upgrade their logistic information systems to computer-to-computer communication of business transactions and documents, as well adopt new technology such as, tracking-and-tracing systems (barcode scanning for packages and palettes), tracking vehicles with Global Positioning System (GPS), measuring vehicle performance with ‘black boxes’ (containing logistic data), and Automatic Equipment Identification (AEI) into their systems.

Keywords: e-commerce, electronic data interchange, flour distribution, information system, interactive telephone systems

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Authors: Mohamed Hassan Abdullahi

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Decomposition is used as a synthesis tool in several physical systems. It can also be used for tearing and restructuring, which is large-scale system analysis. On the other hand, the commutativity of series-connected systems has fascinated the interest of researchers, and its advantages have been emphasized in the literature. The presentation looks into the necessary conditions for decomposing any third-order discrete-time linear time-varying system into a commutative pair of first- and second-order systems. Additional requirements are derived in the case of nonzero initial conditions. MATLAB simulations are used to verify the findings. The work is unique and is being published for the first time. It is critical from the standpoints of synthesis and/or design. Because many design techniques in engineering systems rely on tearing and reconstruction, this is the process of putting together simple components to create a finished product. Furthermore, it is demonstrated that regarding sensitivity to initial conditions, some combinations may be better than others. The results of this work can be extended for the decomposition of fourth-order discrete-time linear time-varying systems into lower-order commutative pairs, as two second-order commutative subsystems or one first-order and one third-order commutative subsystems.

Keywords: commutativity, decomposition, discrete time-varying systems, systems

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Authors: Sanjay K. Behera, Debasish Saha, Paramesh Gadige, Ranjini Bandyopadhyay

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The zero shear viscosity (η₀) of a suspension of hard sphere colloids characterized by a significant polydispersity (≈10%) increases with increase in volume fraction (ϕ) and shows a dramatic increase at ϕ=ϕg with the system entering a colloidal glassy state. Fragility which is the measure of the rapidity of approach of these suspensions towards the glassy state is sensitive to its size polydispersity and stiffness of the particles. Soft poly(N-isopropylacrylamide) (PNIPAM) particles deform in the presence of neighboring particles at volume fraction above the random close packing volume fraction of undeformed monodisperse spheres. Softness, therefore, enhances the packing efficiency of these particles. In this study PNIPAM particles of a nearly constant swelling ratio and with polydispersities varying over a wide range (7.4%-48.9%) are synthesized to study the effects of polydispersity on the dynamics of suspensions of soft PNIPAM colloidal particles. The size and polydispersity of these particles are characterized using dynamic light scattering (DLS) and scanning electron microscopy (SEM). As these particles are deformable, their packing in aqueous suspensions is quantified in terms of effective volume fraction (ϕeff). The zero shear viscosity (η₀) data of these colloidal suspensions, estimated from rheometric experiments as a function of the effective volume fraction ϕeff of the suspensions, increases with increase in ϕeff and shows a dramatic increase at ϕeff = ϕ₀. The data for η₀ as a function of ϕeff fits well to the Vogel-Fulcher-Tammann equation. It is observed that increasing polydispersity results in increasingly fragile supercooled liquid-like behavior, with the parameter ϕ₀, extracted from the fits to the VFT equation shifting towards higher ϕeff. The observed increase in fragility is attributed to the prevalence of dynamical heterogeneities (DHs) in these polydisperse suspensions, while the simultaneous shift in ϕ₀ is ascribed to the decoupling of the dynamics of the smallest and largest particles. Finally, it is observed that the intrinsic nonlinearity of these suspensions, estimated at the third harmonic near ϕ₀ in Fourier transform oscillatory rheological experiments, increases with increase in polydispersity. These results are in agreement with theoretical predictions and simulation results for polydisperse hard sphere colloidal glasses and clearly demonstrate that jammed suspensions of polydisperse colloidal particles can be effectively fluidized with increasing polydispersity. Suspensions of these particles are therefore excellent candidates for detailed experimental studies of the effects of polydispersity on the dynamics of glass formation.

Keywords: dynamical heterogeneity, effective volume fraction, fragility, intrinsic nonlinearity

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Authors: Man Young Kim

Abstract:

To reduce the NOx emission in a Diesel vehicle, such various after treatment systems as SCR, LNC, and LNT are frequently visited as promising systems. Among others, urea-based SCR systems are known to be stable, effective technologies that can reduce NOx emissions most efficiently from diesel exhaust systems. In this study, therefore, effect of urea injector installation angle on the evaporation and mixing characteristics is investigated to find optimum operation conditions. It can be found that the injection angle significantly affects the thermal behavior of the urea-water solution in the diesel exhaust gases.

Keywords: selective catalytic reduction (SCR), evaporation, thermolysis, urea-water solution (UWS), injector installation angle

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Authors: Feng Wang, Vladislav Vasilyev

Abstract:

Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.

Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene

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Authors: A. Al-Rashidi, A. El-Hamalawi

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In this paper, a performance study was conducted to investigate single and dual-axis PV systems to generate electricity in five different sites in Kuwait. Relevant data were obtained by using two sources for validation purposes. A commercial software, PVsyst, was used to analyse the data, such as metrological data and other input parameters, and compute the performance parameters such as capacity factor (CF) and final yield (YF). The results indicated that single and dual-axis PV systems would be very beneficial to electricity generation in Kuwait as an alternative source to conventional power plants, especially with the increased demand over time. The ranges were also found to be competitive in comparison to leading countries using similar systems. A significant increase in CF and YF values around 24% and 28.8% was achieved related to the use of single and dual systems, respectively.

Keywords: single-axis and dual-axis photovoltaic systems, capacity factor, final yield, Kuwait

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Authors: Joon-Hoon Park

Abstract:

In this paper the rationalized Haar transform is applied for distributed parameter system identification and estimation. A distributed parameter system is a dynamical and mathematical model described by a partial differential equation. And system identification concerns the problem of determining mathematical models from observed data. The Haar function has some disadvantages of calculation because it contains irrational numbers, for these reasons the rationalized Haar function that has only rational numbers. The algorithm adopted in this paper is based on the transform and operational matrix of the rationalized Haar function. This approach provides more convenient and efficient computational results.

Keywords: distributed parameter system, rationalized Haar transform, operational matrix, system identification

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