Search results for: Keynesian theory
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1587

Search results for: Keynesian theory

1347 Simulink Library for Reference Current Generation in Active DC Traction Substations

Authors: Mihaela Popescu, Alexandru Bitoleanu

Abstract:

This paper is focused on the reference current calculation in the compensation mode of the active DC traction substations. The so-called p-q theory of the instantaneous reactive power is used as theoretical foundation. The compensation goal of total compensation is taken into consideration for the operation under both sinusoidal and nonsinusoidal voltage conditions, through the two objectives of unity power factor and perfect harmonic cancelation. Four blocks of reference current generation implement the conceived algorithms and they are included in a specific Simulink library, which is useful in a DSP dSPACE-based platform working under Matlab/Simulink. The simulation results validate the correctness of the implementation and fulfillment of the compensation tasks.

Keywords: Active power filter, DC traction, p-q theory, Simulink library.

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1346 The Determinants and Outcomes of Pathological Internet use (PIU) among Urban Millennial Teens: A Theoretical Framework

Authors: Pressca Neging, Rosidah Musa, Rabiah Abdul Wahab

Abstract:

The rapid adoption of Internet has turned the Millennial Teens- life like a lightning speed. Empirical evidence has illustrated that Pathological Internet Use (PIU) among them ensure long-term success to the market players in the children industry. However, it creates concerns among their care takers as it generates mental disorder among some of them. The purpose of this paper is to examine the determinants of PIU and identify its outcomes among urban Millennial Teens. It aims to develop a theoretical framework based on a modified Media System Dependency (MSD) Theory that integrates important systems and components that determine and resulted from PIU.

Keywords: Internet, media system dependency theory, millennial, pathological internet use.

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1345 Molecular Dynamics Simulation for Buckling Analysis at Nanocomposite Beams

Authors: Babak Safaei, A. M. Fattahi

Abstract:

In the present study we have investigated axial buckling characteristics of nanocomposite beams reinforced by single-walled carbon nanotubes (SWCNTs). Various types of beam theories including Euler-Bernoulli beam theory, Timoshenko beam theory and Reddy beam theory were used to analyze the buckling behavior of carbon nanotube-reinforced composite beams. Generalized differential quadrature (GDQ) method was utilized to discretize the governing differential equations along with four commonly used boundary conditions. The material properties of the nanocomposite beams were obtained using molecular dynamic (MD) simulation corresponding to both short-(10,10) SWCNT and long- (10,10) SWCNT composites which were embedded by amorphous polyethylene matrix. Then the results obtained directly from MD simulations were matched with those calculated by the mixture rule to extract appropriate values of carbon nanotube efficiency parameters accounting for the scale-dependent material properties. The selected numerical results were presented to indicate the influences of nanotube volume fractions and end supports on the critical axial buckling loads of nanocomposite beams relevant to long- and short-nanotube composites.

Keywords: Nanocomposites, molecular dynamics simulation, axial buckling, generalized differential quadrature (GDQ).

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1344 A Rough-set Based Approach to Design an Expert System for Personnel Selection

Authors: Ehsan Akhlaghi

Abstract:

Effective employee selection is a critical component of a successful organization. Many important criteria for personnel selection such as decision-making ability, adaptability, ambition, and self-organization are naturally vague and imprecise to evaluate. The rough sets theory (RST) as a new mathematical approach to vagueness and uncertainty is a very well suited tool to deal with qualitative data and various decision problems. This paper provides conceptual, descriptive, and simulation results, concentrating chiefly on human resources and personnel selection factors. The current research derives certain decision rules which are able to facilitate personnel selection and identifies several significant features based on an empirical study conducted in an IT company in Iran.

Keywords: Decision Making, Expert System, PersonnelSelection, Rough Set Theory

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1343 Delay-independent Stabilization of Linear Systems with Multiple Time-delays

Authors: Ping He, Heng-You Lan, Gong-Quan Tan

Abstract:

The multidelays linear control systems described by difference differential equations are often studied in modern control theory. In this paper, the delay-independent stabilization algebraic criteria and the theorem of delay-independent stabilization for linear systems with multiple time-delays are established by using the Lyapunov functional and the Riccati algebra matrix equation in the matrix theory. An illustrative example and the simulation result, show that the approach to linear systems with multiple time-delays is effective.

Keywords: Linear system, Delay-independent stabilization, Lyapunovfunctional, Riccati algebra matrix equation.

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1342 Mapping SOA and Outsourcing on NEBIC: A Dynamic Capabilities Perspective Approach

Authors: Benazeer Md. Shahzada, Verelst Jan, Van Grembergen Wim, Mannaert Herwig

Abstract:

This article is an extension and a practical application approach of Wheeler-s NEBIC theory (Net Enabled Business Innovation Cycle). NEBIC theory is a new approach in IS research and can be used for dynamic environment related to new technology. Firms can follow the market changes rapidly with support of the IT resources. Flexible firms adapt their market strategies, and respond more quickly to customers changing behaviors. When every leading firm in an industry has access to the same IT resources, the way that these IT resources are managed will determine the competitive advantages or disadvantages of firm. From Dynamic Capabilities Perspective and from newly introduced NEBIC theory by Wheeler, we know that only IT resources cannot deliver customer value but good configuration of those resources can guarantee customer value by choosing the right emerging technology, grasping the economic opportunities through business innovation and growth. We found evidences in literature that SOA (Service Oriented Architecture) is a promising emerging technology which can deliver the desired economic opportunity through modularity, flexibility and loosecoupling. SOA can also help firms to connect in network which can open a new window of opportunity to collaborate in innovation and right kind of outsourcing

Keywords: Absorptive capacity, Dynamic Capability, Netenabled business innovation cycle, Service oriented architecture.

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1341 Parallel-Distributed Software Implementation of Buchberger Algorithm

Authors: Praloy Kumar Biswas, Prof. Dipanwita Roy Chowdhury

Abstract:

Grobner basis calculation forms a key part of computational commutative algebra and many other areas. One important ramification of the theory of Grobner basis provides a means to solve a system of non-linear equations. This is why it has become very important in the areas where the solution of non-linear equations is needed, for instance in algebraic cryptanalysis and coding theory. This paper explores on a parallel-distributed implementation for Grobner basis calculation over GF(2). For doing so Buchberger algorithm is used. OpenMP and MPI-C language constructs have been used to implement the scheme. Some relevant results have been furnished to compare the performances between the standalone and hybrid (parallel-distributed) implementation.

Keywords: Grobner basis, Buchberger Algorithm, Distributed- Parallel Computation, OpenMP, MPI.

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1340 The Pragmatist Basis of Material Hermeneutics

Authors: Juho Lindholm

Abstract:

Practical hermeneutics explores the emergence of meaning in scientific practice. Visual hermeneutics is its subclass which explores the emergence of meaning in instrumentally mediated interactions with scientific objects. There remains to be explained, upon what theory of meaning their discussions are based. Linguistic theories of meaning seem utterly inappropriate for the analysis of the non-linguistic meanings that such hermeneutics invoke. In this article, it will be shown by conceptual analysis that the so-called “pragmatic maxim” provides sufficient resources for the philosophical analysis of such meanings. The “pragmatic maxim” states that the meaning of a thing consists in the potential practical effects of that thing. Because this notion is not confined to language, it can be broadly applied to anything meaningful, including practices and the instruments which are part of practices.

Keywords: Hermeneutics, philosophy of science, pragmatism, theory of meaning.

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1339 Modeling Bessel Beams and Their Discrete Superpositions from the Generalized Lorenz-Mie Theory to Calculate Optical Forces over Spherical Dielectric Particles

Authors: Leonardo A. Ambrosio, Carlos. H. Silva Santos, Ivan E. L. Rodrigues, Ayumi K. de Campos, Leandro A. Machado

Abstract:

In this work, we propose an algorithm developed under Python language for the modeling of ordinary scalar Bessel beams and their discrete superpositions and subsequent calculation of optical forces exerted over dielectric spherical particles. The mathematical formalism, based on the generalized Lorenz-Mie theory, is implemented in Python for its large number of free mathematical (as SciPy and NumPy), data visualization (Matplotlib and PyJamas) and multiprocessing libraries. We also propose an approach, provided by a synchronized Software as Service (SaaS) in cloud computing, to develop a user interface embedded on a mobile application, thus providing users with the necessary means to easily introduce desired unknowns and parameters and see the graphical outcomes of the simulations right at their mobile devices. Initially proposed as a free Android-based application, such an App enables data post-processing in cloud-based architectures and visualization of results, figures and numerical tables.

Keywords: Bessel Beams and Frozen Waves, Generalized Lorenz-Mie Theory, Numerical Methods, Optical Forces.

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1338 Architectural Thinking in a Time of Climate Emergency

Authors: Manoj Parmar

Abstract:

The article uses reflexivity as a research method to investigate and propose an architectural theory plan for climate change. It hypothecates that to discuss or formulate discourse on "architectural paradigm and climate change," firstly, we need to understand the modes of integration that enable architectural thinking with climate change. The research intends to study the various integration modes that have evolved historically and situate them in time. Subsequently, it analyzes the integration pattern, challenges the existing model, and finds a way towards climate change as central to architectural thinking. The study is fundamental on-premises that ecology and climate change scholarship has consistently out lashed the asymmetrical and nonlinear knowledge and needs approaches for architecture that are less burden to climate change to people and minimize its impact on ecology.

Keywords: Climate change, architectural theory, reflexivity, modernity.

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1337 Development of a Simulator for Explaining Organic Chemical Reactions Based on Qualitative Process Theory

Authors: Alicia Y. C. Tang, Rukaini Hj. Abdullah, Sharifuddin M. Zain

Abstract:

This paper discusses the development of a qualitative simulator (abbreviated QRiOM) for predicting the behaviour of organic chemical reactions. The simulation technique is based on the qualitative process theory (QPT) ontology. The modelling constructs of QPT embody notions of causality which can be used to explain the behaviour of a chemical system. The major theme of this work is that, in a qualitative simulation environment, students are able to articulate his/her knowledge through the inspection of explanations generated by software. The implementation languages are Java and Prolog. The software produces explanation in various forms that stresses on the causal theories in the chemical system which can be effectively used to support learning.

Keywords: Chemical reactions, explanation, qualitative processtheory, simulation

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1336 Mechanical Buckling of Functionally Graded Engesser-Timoshenko Beams Located on a Continuous Elastic Foundation

Authors: M. Karami Khorramabadi, A. R. Nezamabadi

Abstract:

This paper studies mechanical buckling of functionally graded beams subjected to axial compressive load that is simply supported at both ends lies on a continuous elastic foundation. The displacement field of beam is assumed based on Engesser-Timoshenko beam theory. Applying the Hamilton's principle, the equilibrium equation is established. The influences of dimensionless geometrical parameter, functionally graded index and foundation coefficient on the critical buckling load of beam are presented. To investigate the accuracy of the present analysis, a compression study is carried out with a known data.

Keywords: Mechanical Buckling, Functionally graded beam- Engesser-Timoshenko beam theory

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1335 Role of Customers in Stakeholders- Approach in Company Corporate Governance

Authors: Kolis Karel, Kubicek Ales

Abstract:

The purpose of this paper is to explore the relationship between the customers- issues in company corporate governance and the financial performance. At the beginning theoretical background consisting stakeholder theory and corporate governance is presented. On this theoretical background, the empirical research is built, collecting data of 60 Czech joint stock companies- boards considering their relationships with customers. Correlation analysis and multivariate regression analysis were employed to test the sample on two hypotheses. The weak positive correlation between stakeholder approach and the company size was identified. But both hypotheses were not supported, because there was no significant relation of independent variables to financial performance.

Keywords: customers, stakeholder theory, corporate governance, financial performance

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1334 Teaching Method in Situational Crisis Communication Theory: A Literature Review

Authors: Proud Arunrangsiwed

Abstract:

Crisis management strategies could be found in various curriculums, not only in schools of business, but also schools of communication. Young students, such as freshmen and sophomores of undergraduate schools, may not care about learning crisis management strategies. Moreover, crisis management strategies are not a topic art students are familiar with. The current paper discusses a way to adapt entertainment media into a crisis management lesson, and the importance of learning crisis management strategies in the school of animation. Students could learn crisis management strategies by watching movies with content about a crisis and responding to crisis responding. The students should then participate in follow up discussions related to the strategies that were used to address the crisis, as well as their success in solving the crisis.

Keywords: Situational crisis communication theory, crisis response strategies, media effect, unintentional effect.

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1333 Sensitizing Rules for Fuzzy Control Charts

Authors: N. Pekin Alakoç, A. Apaydın

Abstract:

Quality control charts indicate out of control conditions if any nonrandom pattern of the points is observed or any point is plotted beyond the control limits. Nonrandom patterns of Shewhart control charts are tested with sensitizing rules. When the processes are defined with fuzzy set theory, traditional sensitizing rules are insufficient for defining all out of control conditions. This is due to the fact that fuzzy numbers increase the number of out of control conditions. The purpose of the study is to develop a set of fuzzy sensitizing rules, which increase the flexibility and sensitivity of fuzzy control charts. Fuzzy sensitizing rules simplify the identification of out of control situations that results in a decrease in the calculation time and number of evaluations in fuzzy control chart approach.

Keywords: Fuzzy set theory, Quality control charts, Run Rules, Unnatural patterns.

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1332 Exciting Voltage Control for Efficiency Maximization for 2-D Omni-Directional Wireless Power Transfer Systems

Authors: Masato Sasaki, Masayoshi Yamamoto

Abstract:

The majority of wireless power transfer (WPT) systems transfer power in a directional manner. This paper describes a discrete exciting voltage control technique for WPT via magnetic resonant coupling with two orthogonal transmitter coils (2D omni-directional WPT system) which can maximize the power transfer efficiency in response to the change of coupling status. The theory allows the equations of the efficiency of the system to be determined at all the rate of the mutual inductance. The calculated results are included to confirm the advantage to one directional WPT system and the validity of the theory and the equations.

Keywords: Wireless power transfer, orthogonal, omni-directional, efficiency.

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1331 Corporate Governance Networks and Interlocking Directorates in the Czech Republic

Authors: Ondřej Nowak

Abstract:

This paper presents an exploration into the structure of the corporate governance network and interlocking directorates in the Czech Republic. First a literature overview and a basic terminology of the network theory is presented. Further in the text, statistics and other calculations relevant to corporate governance networks are presented. For this purpose an empirical data set consisting of 2 906 joint stock companies in the Czech Republic was examined. Industries with the highest average number of interlocks per company were healthcare, and energy and utilities. There is no observable link between the financial performance of the company and the number of its interlocks. Also interlocks with financial companies are very rare.

Keywords: Corporate Governance, Interlocking Directorates, Network Theory, Czech Republic.

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1330 Comparative Study of Decision Trees and Rough Sets Theory as Knowledge ExtractionTools for Design and Control of Industrial Processes

Authors: Marcin Perzyk, Artur Soroczynski

Abstract:

General requirements for knowledge representation in the form of logic rules, applicable to design and control of industrial processes, are formulated. Characteristic behavior of decision trees (DTs) and rough sets theory (RST) in rules extraction from recorded data is discussed and illustrated with simple examples. The significance of the models- drawbacks was evaluated, using simulated and industrial data sets. It is concluded that performance of DTs may be considerably poorer in several important aspects, compared to RST, particularly when not only a characterization of a problem is required, but also detailed and precise rules are needed, according to actual, specific problems to be solved.

Keywords: Knowledge extraction, decision trees, rough setstheory, industrial processes.

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1329 The Impact of Corporate Governance on Risk Taking in European Insurance Industry

Authors: Francesco Venuti, Simona Alfiero

Abstract:

The aim of this paper is to develop an empirical research on the nature and consequences of corporate governance on Eurozone Insurance Industry risk taking attitude. More particularly, we analyzed the effect of public ownership on risk taking with respect to privately held Insurance Companies. We also analyzed the effects on risk taking attitude of different degrees of ownership concentration, directors compensation, and the dimension/diversity of the Board of Directors. Our results provide quite strong evidence that, coherently with the Agency Theory, publicly traded insurance companies with more concentrated ownership are less risky than the corresponding privately held.

Keywords: Agency theory, corporate governance, insurance companies, risk taking.

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1328 Impact of Normative Institutional Factors on Sustainability Reporting

Authors: L. Dagilienė

Abstract:

The article explores the impact of normative institutional factors on the development of sustainability reporting. The vast majority of research in the scientific literature focuses on mandatory institutional factors, i.e. how public institutions and market regulators affect sustainability reporting. Meanwhile, there is lack of empirical data for the impact of normative institutional factors. The effect of normative factors in this paper is based on the role of non-governmental organizations (NGO) and institutional theory. The case of Global Compact Local Network in the developing country was examined. The research results revealed that in the absence of regulated factors, companies were not active with regard to social disclosures; they presented non-systemized social information of a descriptive nature. Only 10% of sustainability reports were prepared using the GRI methodology. None of the reports were assured by third parties.

Keywords: Institutional theory, normative, sustainability reporting.

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1327 A Social Cognitive Investigation in the Context of Vocational Training Performance of People with Disabilities

Authors: Majid A. AlSayari

Abstract:

The study reported here investigated social cognitive theory (SCT) in the context of Vocational Rehab (VR) for people with disabilities. The prime purpose was to increase knowledge of VR phenomena and make recommendations for improving VR services. The sample consisted of 242 persons with Spinal Cord Injuries (SCI) who completed questionnaires. A further 32 participants were Trainers. Analysis of questionnaire data was carried out using factor analysis, multiple regression analysis, and thematic analysis. The analysis suggested that, in motivational terms, and consistent with research carried out in other academic contexts, self-efficacy was the best predictor of VR performance. The author concludes that that VR self-efficacy predicted VR training performance.

Keywords: Social cognitive theory, vocational rehab, self-efficacy, proxy efficacy, people with disabilities.

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1326 Theoretical Analysis of a Crossed-Electrode 2D Array for 3D Imaging

Authors: Yuriy Tasinkevych, Eugene Danicki

Abstract:

Planar systems of electrodes arranged on both sides of dielectric piezoelectric layer are applied in numerous transducers. They are capable of electronic beam-steering of generated wave both in azimuth and elevation. The wave-beam control is achieved by addressable driving of two-dimensional transducer through proper voltage supply of electrodes on opposite surfaces of the layer. In this paper a semi-analytical method of analysis of the considered transducer is proposed, which is a generalization of the well-known BIS-expansion method. It was earlier exploited with great success in the theory of interdigital transducers of surface acoustic waves, theory of elastic wave scattering by cracks and certain advanced electrostatic problems. The corresponding nontrivial electrostatic problem is formulated and solved numerically.

Keywords: Beamforming, transducer array, BIS-expansion.

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1325 Theoretical Analysis of a Crossed-Electrode 2D Array for 3D Imaging

Authors: Yuriy Tasinkevych, Eugene Danicki

Abstract:

Planar systems of electrodes arranged on both sides of dielectric piezoelectric layer are applied in numerous transducers. They are capable of electronic beam-steering of generated wave both in azimuth and elevation. The wave-beam control is achieved by addressable driving of two-dimensional transducer through proper voltage supply of electrodes on opposite surfaces of the layer. In this paper a semi-analytical method of analysis of the considered transducer is proposed, which is a generalization of the well-known BIS-expansion method. It was earlier exploited with great success in the theory of interdigital transducers of surface acoustic waves, theory of elastic wave scattering by cracks and certain advanced electrostatic problems. The corresponding nontrivial electrostatic problem is formulated and solved numerically.

Keywords: Beamforming, transducer array, BIS-expansion.

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1324 A High Order Theory for Functionally Graded Shell

Authors: V. V. Zozulya

Abstract:

New theory for functionally graded (FG) shell based on expansion of the equations of elasticity for functionally graded materials (GFMs) into Legendre polynomials series has been developed. Stress and strain tensors, vectors of displacements, traction and body forces have been expanded into Legendre polynomials series in a thickness coordinate. In the same way functions that describe functionally graded relations has been also expanded. Thereby all equations of elasticity including Hook-s law have been transformed to corresponding equations for Fourier coefficients. Then system of differential equations in term of displacements and boundary conditions for Fourier coefficients has been obtained. Cases of the first and second approximations have been considered in more details. For obtained boundary-value problems solution finite element (FE) has been used of Numerical calculations have been done with Comsol Multiphysics and Matlab.

Keywords: Shell, FEM, FGM, legendre polynomial.

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1323 Predictability Analysis on HIV/AIDS System using Hurst Exponents

Authors: K. Kamalanand, P. Mannar Jawahar

Abstract:

Methods of contemporary mathematical physics such as chaos theory are useful for analyzing and understanding the behavior of complex biological and physiological systems. The three dimensional model of HIV/AIDS is the basis of active research since it provides a complete characterization of disease dynamics and the interaction of HIV-1 with the immune system. In this work, the behavior of the HIV system is analyzed using the three dimensional HIV model and a chaotic measure known as the Hurst exponent. Results demonstrate that Hurst exponents of CD4, CD8 cells and viral load vary nonlinearly with respect to variations in system parameters. Further, it was observed that the three dimensional HIV model can accommodate both persistent (H>0.5) and anti-persistent (H<0.5) dynamics of HIV states. In this paper, the objectives of the study, methodology and significant observations are presented in detail.

Keywords: HIV/AIDS, mathematical model, chaos theory, Hurst exponent

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1322 Development of Algorithms for the Study of the Image in Digital Form for Satellite Applications: Extraction of a Road Network and Its Nodes

Authors: Z. Nougrara

Abstract:

In this paper we propose a novel methodology for extracting a road network and its nodes from satellite images of Algeria country. This developed technique is a progress of our previous research works. It is founded on the information theory and the mathematical morphology; the information theory and the mathematical morphology are combined together to extract and link the road segments to form a road network and its nodes. We therefore have to define objects as sets of pixels and to study the shape of these objects and the relations that exist between them. In this approach, geometric and radiometric features of roads are integrated by a cost function and a set of selected points of a crossing road. Its performances were tested on satellite images of Algeria country.

Keywords: Satellite image, road network, nodes.

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1321 Digital Paradoxes in Learning Theories

Authors: Marcello Bettoni

Abstract:

As a learning theory tries to borrow from science a framework to found its method, it shows paradoxes and paralysing contraddictions. This results, on one hand, from adopting a learning/teaching model as it were a mere “transfer of data" (mechanical learning approach), and on the other hand from borrowing the complexity theory (an indeterministic and non-linear model), that risks to vanish every educational effort. This work is aimed at describing existing criticism, unveiling the antinomic nature of such paradoxes, focussing on a view where neither the mechanical learning perspective nor the chaotic and nonlinear model can threaten and jeopardize the educational work. Author intends to go back over the steps that led to these paradoxes and to unveil their antinomic nature. Actually this could serve the purpose to explain some current misunderstandings about the real usefulness of Ict within the youth-s learning process and growth.

Keywords: Antinomy, complexity, Leibniz, paradox

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1320 Technology Integrated Education – Shaping the Personality and Social Development of the Young

Authors: R. Ramli, S. Sameon

Abstract:

There has been a strong link between computermediated education and constructivism learning and teaching theory.. Acknowledging how well the constructivism doctrine would work online, it has been established that constructivist views of learning would agreeably correlate with the philosophy of open and distance learning. Asynchronous and synchronous communications have placed online learning on the right track of a constructive learning path. This paper is written based on the social constructivist framework, where knowledge is constructed from social communication and interaction. The study explores the possibility of practicing this theory through incorporating online discussion in the syllabus and the ways it can be implemented to contribute to young people-s personality and social development by addressing some aspects that may contribute to the social problem such as prejudice, ignorance and intolerance.

Keywords: Educational Technology, Internet, Personal Development, Student Exchange

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1319 A P-SPACE Algorithm for Groebner Bases Computation in Boolean Rings

Authors: Quoc-Nam Tran

Abstract:

The theory of Groebner Bases, which has recently been honored with the ACM Paris Kanellakis Theory and Practice Award, has become a crucial building block to computer algebra, and is widely used in science, engineering, and computer science. It is wellknown that Groebner bases computation is EXP-SPACE in a general setting. In this paper, we give an algorithm to show that Groebner bases computation is P-SPACE in Boolean rings. We also show that with this discovery, the Groebner bases method can theoretically be as efficient as other methods for automated verification of hardware and software. Additionally, many useful and interesting properties of Groebner bases including the ability to efficiently convert the bases for different orders of variables making Groebner bases a promising method in automated verification.

Keywords: Algorithm, Complexity, Groebner basis, Applications of Computer Science.

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1318 Ab Initio Molecular Dynamics Simulations of Furfural at the Liquid-Solid Interface

Authors: Sanwu Wang, Hongli Dang, Wenhua Xue, Darwin Shields, Xin Liu, Friederike C. Jentoft, Daniel E. Resasco

Abstract:

The bonding configuration and the heat of adsorption of a furfural molecule on the Pd(111) surface were determined by ab initio density-functional-theory calculations. The dynamics of pure liquid water, the liquid-solid interface formed by liquid water and the Pd(111) surface, as well as furfural at the water-Pd interface, were investigated by ab initio molecular dynamics simulations at finite temperatures. Calculations and simulations suggest that the bonding configurations at the water-Pd interface promote decarbonylation of furfural.

Keywords: Ab initio molecular dynamics simulations, bio-fuels, density functional theory, liquid-solid interfaces.

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