Search results for: Atoms in molecules (AIM) theory

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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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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Authors: K. Kamalanand, P. Mannar Jawahar

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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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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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Authors: Marcello Bettoni

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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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Authors: R. Ramli, S. Sameon

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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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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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Authors: Kalakotla Shanker, G. Krishna Mohan

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Nowadays, nanoparticles are being used in pharmacological studies for their exclusive properties such as small size, more surface area, biocompatibility and enhanced solubility. In view of this, the present study aimed to evaluate the antihyperglycemic potential of biologically synthesized silver nanoparticles (BSSNPs) and Gymnema sylvestre (GS) extract. The SEM and SEM analysis divulges that the BSSNPs were spherical in shape. EDAX spectrum exhibits peaks for the presence of silver, carbon, and oxygen atoms in the range of 1.0-3.1 keV. FT-IR reveals the binding properties of active bio-constituents responsible for capping and stabilizing BSSNPs. The results showed increased blood glucose, huge loss in body weight and downturn in plasma insulin. The GS extract (200 mg/kg, 400 mg/kg), BSSNPs (100 mg/kg, 200 mg/kg) and metformin 50 mg/kg were administered to the diabetic rats. BSSNPs at a dose level of 200 mg/kg (b.wt.p.o.) showed significant inhibition of (p<0.001) blood glucose levels as compared with GS extract treated group. The results obtained from study indicate that the BSSNP shows potent anti-diabetic activity.

Keywords: BSSNP, G.sylvetre, wistar rats, antihyperglycemic activity.

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

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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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Authors: H. Nakamura

Abstract:

This study analyzes international strategic alliances in the information industry. The purpose of this study is to clarify the strategic intention of an international alliance. Secondly, it investigates the influence of differences in the target markets of partner companies on alliances. Using an international strategy theory approach to analyze the global strategies of global companies, the study compares a database business and an electronic publishing business. In particular, these cases emphasized factors attributable to "people" and "learning", reliability and communication between organizations and the evolution of the IT infrastructure. The theory evolved in this study validates the effectiveness of these strategies.

Keywords: Database business, electronic library, international strategic alliances, partner selection.

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Authors: Sapfo A. Mortaki

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This article examines the presence of Greek immigrant artists (painters and sculptors) in Paris during 1970-2010. The aim is to highlight their presence in the French capital through archival research in the daily and periodical press as well as present the impact of their artistic activity on the French intellectual life and society. At the same time, their contribution to the development of cultural life in Greece becomes apparent. The integration of those migrant artists into an environment of cultural coexistence and the understanding of the social phenomenon of their migration, in the context of postmodernity, are being investigated. The cultural relations between the two countries are studied in the context of support mechanisms, such as the Greek community, cultural institutions, museums and galleries. The recognition of the Greek artists by the French society and the social dimension in the context of their activity in Paris, are discussed in terms of the assimilation theory. Since the 1970s, and especially since the fall of the dictatorship in Greece, in opposition to the prior situation, artists' contacts with their homeland have been significantly enhanced, with most of them now travelling to Paris, while others work in parallel in both countries. As a result, not only do the stages of the development of their work through their pursuits become visible, but, most importantly, the artistic world becomes informed about the multifaceted expression of art through the succession of various contemporary currents. Thus, the participation of Greek artists in the international cultural landscape is demonstrated.

Keywords: Artistic migration, cultural impact, Greek artists, postmodernity, theory of assimilation.

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Authors: B. D. Polat, O. Keles

Abstract:

Physical vapor deposition under conditions of an obliquely incident flux results in a film formation with an inclined columnar structure. These columns will be oriented toward the vapor source because of the self-shadowing effect, and they are homogenously distributed on the substrate surface because of the limited surface diffusion ability of ad-atoms when there is no additional substrate heating.

In this work, the oblique angle electron beam evaporation technique is used to fabricate thin films containing inclined nanorods. The results demonstrate that depending on the thin film composition, the morphology of the nanorods is changed as well. The galvanostatic analysis of these thin film anodes reveals that a composite CuSn nanorods having approximately 900mAhg^-1 of initial discharge capacity, performs higher electrochemical performance compared to pure Sn nanorods containing anode material. The long cycle life and the advanced electrochemical properties of the nanostructured composite electrode might be attributed to its improved mechanical tolerance and enhanced electrical conductivity depending on the Cu presence in the nanorods.

Keywords: Cu-Sn thin film, oblique angle deposition, lithium ion batteries, anode.

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Authors: Daniel Stamate

Abstract:

One of the most used assumptions in logic programming and deductive databases is the so-called Closed World Assumption (CWA), according to which the atoms that cannot be inferred from the programs are considered to be false (i.e. a pessimistic assumption). One of the most successful semantics of conventional logic programs based on the CWA is the well-founded semantics. However, the CWA is not applicable in all circumstances when information is handled. That is, the well-founded semantics, if conventionally defined, would behave inadequately in different cases. The solution we adopt in this paper is to extend the well-founded semantics in order for it to be based also on other assumptions. The basis of (default) negative information in the well-founded semantics is given by the so-called unfounded sets. We extend this concept by considering optimistic, pessimistic, skeptical and paraconsistent assumptions, used to complete missing information from a program. Our semantics, called extended well-founded semantics, expresses also imperfect information considered to be missing/incomplete, uncertain and/or inconsistent, by using bilattices as multivalued logics. We provide a method of computing the extended well-founded semantics and show that Kripke-Kleene semantics is captured by considering a skeptical assumption. We show also that the complexity of the computation of our semantics is polynomial time.

Keywords: Logic programs, imperfect information, multivalued logics, bilattices, assumptions.

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Authors: Zoltán Weltsch, József Hlinka, Eszter Kókai

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The temperature dependence of wettability (wetting angle, Θ (T)) for Ag-based melts on graphite and Al2O3 substrates is compared. Typical alloying effects are found, as the Ag host metal is gradually replaced by various metallic elements. The essence of alloying lies in the change of the electron/atom (e/a) ratio. This ratio is also manifested in the shift of wetting angles on the same substrate. Nevertheless, the effects are partially smeared by other (metallurgical) factors, like the interaction between the oxygenalloying elements and by the graphite substrate-oxygen interaction. In contrast, such effects are not pronounced in the case of Al2O3 substrates. As a consequence, Θ(T) exhibits an opposite trend in the case of two substrates. Crossovers of the Θ(T) curves were often found. The positions of crossovers depend on the chemical character and concentration of solute atoms. Segregation and epitaxial texture formation after solidification were also observed in certain alloy drops, especially in high concentration range. This phenomenon is not yet explained in every detail.

Keywords: Contact angle, graphite, silver, soldering, solid solubility, substrate, temperature dependence, wetting.

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Authors: Xiaomei Wang, Shouming Zhong

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In this paper, a class of generalized bi-directional associative memory (BAM) neural networks with mixed delays is investigated. On the basis of Lyapunov stability theory and contraction mapping theorem, some new sufficient conditions are established for the existence and uniqueness and globally exponential stability of equilibrium, which generalize and improve the previously known results. One example is given to show the feasibility and effectiveness of our results.

Keywords: Bi-directional associative memory (BAM) neural networks, mixed delays, Lyapunov stability theory, contraction mapping theorem, existence, equilibrium, globally exponential stability.

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Authors: J. Zamastil, V. Patkos

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Recent progress in calculation of the one-loop selfenergy of the electron bound in the Coulomb field is summarized. The relativistic multipole expansion is introduced. This expansion is based on a single assumption: except for the part of the time component of the electron four-momentum corresponding to the electron rest mass, the exchange of four-momentum between the virtual electron and photon can be treated perturbatively. For non Sstates and normalized difference n3
En −
E1 of the S-states this itself yields very accurate results after taking the method to the third order. For the ground state the perturbation treatment of the electron virtual states with very high three-momentum is to be avoided. For these states one can always rearrange the pertinent expression in such a way that free-particle approximation is allowed. Combination of the relativistic multipole expansion and free-particle approximation yields very accurate result after taking the method to the ninth order. These results are in very good agreement with the previous results obtained by the partial wave expansion and definitely exclude the possibility that the uncertainity in determination of the proton radius comes from the uncertainity in the calculation of the one-loop selfenergy.

Keywords: Hydrogen-like atoms, self-energy.

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Authors: Yong-Hui Li, Jing-Wen Huang

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As the advancement of technology, online shopping channel develops rapidly in recent years. According to the report of Taiwan Network Information Center, there are almost eighty percents of internet population shopping in online channel. Synthesizing insights from the previous research, this study develops the conceptual model to integrate Theory of Perceived Risk (TPR) and Technology Acceptance Model (TAM) to apply in online shopping. Using data collected from 637 respondents from online survey website, we use structural equation modeling to test measurement and structural models. The results suggest the need for consideration of perceived risk as an antecedent in the Technology Acceptance Model. The limitations and implications are discussed.

Keywords: perceived risk, perceived usefulness, perceived ease of use, behavioral intention, actual purchase behavior

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Authors: Pongsatorn Tantrabundit, Lersak Phothong, Ong-art Chanprasitchai

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Due to the emergence of the Internet, it has extended the traditional Word-of-Mouth (WOM) to a new form called “Electronic Word-of-Mouth (eWOM).” Unlike traditional WOM, eWOM is able to present information in various ways by applying different components. Each eWOM component generates different effects on online consumer behavior. This research investigates the effects of Webcare (responding message) from product/ service providers on negative eWOM by applying two types of products (search and experience). The proposed conceptual model was developed based on the combination of the stages in consumer decision-making process, theory of reasoned action (TRA), theory of planned behavior (TPB), the technology acceptance model (TAM), the information integration theory and the elaboration likelihood model. The methodology techniques used in this study included multivariate analysis of variance (MANOVA) and multiple regression analysis. The results suggest that Webcare does slightly increase Thai online consumer’s perceptions on perceived eWOM trustworthiness, information diagnosticity and quality. For negative eWOM, we also found that perceived eWOM Trustworthiness, perceived eWOM diagnosticity and quality have a positive relationship with eWOM influence whereas perceived valence has a negative relationship with eWOM influence in Thai online consumers.

Keywords:

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Authors: Justinian Anatory, Nelson Theethayi

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The paper compares different channel models used for modeling Broadband Power-Line Communication (BPLC) system. The models compared are Zimmermann and Dostert, Philipps, Anatory et al and Anatory et al generalized Transmission Line (TL) model. The validity of each model was compared in time domain with ATP-EMTP software which uses transmission line approach. It is found that for a power-line network with minimum number of branches all the models give similar signal/pulse time responses compared with ATP-EMTP software; however, Zimmermann and Dostert model indicates the same amplitude but different time delay. It is observed that when the numbers of branches are increased only generalized TL theory approach results are comparable with ATPEMTP results. Also the Multi-Carrier Spread Spectrum (MC-SS) system was applied to check the implication of such behavior on the modulation schemes. It is observed that using Philipps on the underground cable can predict the performance up to 25dB better than other channel models which can misread the actual performance of the system. Also modified Zimmermann and Dostert under multipath can predict a better performance of about 5dB better than the actual predicted by Generalized TL theory. It is therefore suggested for a realistic BPLC system design and analyses the model based on generalized TL theory be used.

Keywords: Broadband Power line Channel Models, loadimpedance, Branched network.

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Authors: Pan Cheng, Jin Huang, Guang Zeng

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Elastic boundary eigensolution problems are converted into boundary integral equations by potential theory. The kernels of the boundary integral equations have both the logarithmic and Hilbert singularity simultaneously. We present the mechanical quadrature methods for solving eigensolutions of the boundary integral equations by dealing with two kinds of singularities at the same time. The methods possess high accuracy O(h3) and low computing complexity. The convergence and stability are proved based on Anselone-s collective compact theory. Bases on the asymptotic error expansion with odd powers, we can greatly improve the accuracy of the approximation, and also derive a posteriori error estimate which can be used for constructing self-adaptive algorithms. The efficiency of the algorithms are illustrated by numerical examples.

Keywords: boundary integral equation, extrapolation algorithm, aposteriori error estimate, elasticity.

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Authors: Christina Van Wingerden

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The aim of this paper is to propose pedagogical design for learning management systems (LMS) that offers greater inclusion for students based on a number of theoretical perspectives and delineated through an example. Considering the impact of COVID-19, including on student mental health, the research suggesting the importance of student sense of belonging on retention, success, and student well-being, the author describes intentional LMS design incorporating theoretically based practices informed by critical theory, feminist theory, indigenous theory and practices, and new materiality. This article considers important aspects of these theories and practices which attend to inclusion, identities, and socially just learning environments. Additionally, increasing student sense of belonging and mental health through LMS design influenced by adult learning theory and the community of inquiry model are described.  The process of thinking through LMS pedagogical design with inclusion intentionally in mind affords the opportunity to allow LMS to go beyond course use as a repository of documents, to an intentional community of practice that facilitates belonging and connection, something much needed in our times. In virtual learning environments it has been harder to discern how students are doing, especially in feeling connected to their courses, their faculty, and their student peers. Increasingly at the forefront of public universities is addressing the needs of students with multiple and intersecting identities and the multiplicity of needs and accommodations. Education in 2020, and moving forward, calls for embedding critical theories and inclusive ideals and pedagogies to the ways instructors design and teach in online platforms. Through utilization of critical theoretical frameworks and instructional practices, students may experience the LMS as a welcoming place with intentional plans for welcoming diversity in identities.

Keywords: Belonging, critical pedagogy, instructional design, Learning Management System, LMS.

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Authors: Wissam B. Fahed

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Entrepreneurship has become an important and extensively researched concept in business studies. Research on foreign direct investment (FDI) has become widespread due to the growth of FDI and its importance in globalization. Most entrepreneurship studies examined the importance and influence of entrepreneurial orientation in a micro-level context. On the other hand, studies and research concerning FDI used statistical techniques to analyze the effect, determinants, and motives of FDI on a macroeconomic level, ignoring empirical studies on other noneconomic determinants. In order to bridge the gap between the theory and empirical evidence on FDI and the theory and research on entrepreneurship, this study examines the impact of entrepreneurship on inward foreign direct investment. The relationship between entrepreneurship and foreign direct investment is investigated through regression analysis of pooled time-series and cross-sectional data. The results suggest that entrepreneurship has a significant effect on FDI.

Keywords: Entrepreneurship, foreign direct investment, globalization, economic freedom.

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Authors: Guanhao Tong, Li Li, Ben David

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This study aims to provide an explanatory account of how the leisure tourist experience emerges from tourists and their surroundings through a critical realist lens. This was achieved by applying Archer’s realist social theory as the underlying theoretical ground to unpack the interplays between the external (tourism system or structure) and the internal (tourists or agency) factors. This theory argues that social phenomena can be analysed in three domains - structure, agency, and culture (SAC), and along three phases – structure conditioning, sociocultural interactions, and structure elaboration. From the realist perspective, the world is an open system; events and discourses are irreducible to present individuals and collectivities. Therefore, identifying the processes or mechanisms is key to help researchers understand how social reality is brought about. Based on the contextual nature of the tourist experience, the research focuses on Chinese tourists (from mainland China) to London as a destination and British culture conveyed through the concept of the destination image. This study uses an intensive approach based on Archer’s M/M approach to discover the mechanisms/processes of the emergence of the tourist experience. Individual interviews were conducted to reveal the underlying causes of lived experiences of the tourists. Secondary data were also collected to understand how British destinations are portrayed to Chinese tourists.

Keywords: Chinese Tourists, Destination Image, M/M Approach, Realist Social Theory, social mechanisms, tourist experience.

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Authors: Yaşar Baykul, Musa Gürsel, Hacı Sulak, Erhan Ertekin, Ersen Yazıcı, Osman Dülger, Yasin Aslan, Kağan Büyükkarcı

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The reliability of the tools developed to learn the learning styles is essential to find out students- learning styles trustworthily. For this purpose, the psychometric features of Grasha- Riechman Student Learning Style Inventory developed by Grasha was studied to contribute to this field. The study was carried out on 6th, 7th, and 8th graders of 10 primary education schools in Konya. The inventory was applied twice with an interval of one month, and according to the data of this application, the reliability coefficient numbers of the 6 sub-dimensions pointed in the theory of the inventory was found to be medium. Besides, it was found that the inventory does not have a structure with 6 factors for both Mathematics and English courses as represented in the theory.

Keywords: Learning styles, Grasha-Riechmann, reliability, validity.

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Authors: M. Lloret-Climent, J. Nescolarde-Selva

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The aim of this paper is to propose a mathematical model to determine invariant sets, set covering, orbits and, in particular, attractors in the set of tourism variables. Analysis was carried out based on a pre-designed algorithm and applying our interpretation of chaos theory developed in the context of General Systems Theory. This article sets out the causal relationships associated with tourist flows in order to enable the formulation of appropriate strategies. Our results can be applied to numerous cases. For example, in the analysis of tourist flows, these findings can be used to determine whether the behaviour of certain groups affects that of other groups and to analyse tourist behaviour in terms of the most relevant variables. Unlike statistical analyses that merely provide information on current data, our method uses orbit analysis to forecast, if attractors are found, the behaviour of tourist variables in the immediate future.

Keywords: Attractor, invariant set, orbits, tourist variables.

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Authors: Kai Jin, Hyder Abdul-Razzak, Yousri Elkassabgi, Hong Zhou, Aaron Herrera

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Six Sigma is a well known discipline that reduces variation using complex statistical tools and the DMAIC model. By integrating Goldratts-s Theory of Constraints, the Five Focusing Points and System Thinking tools, Six Sigma projects can be selected where it can cause more impact in the company. This research defines an integrated model of six sigma and constraint management that shows a step-by-step guide using the original methodologies from each discipline and is evaluated in a case study from the production line of a Automobile engine monoblock V8, resulting in an increase in the line capacity from 18.7 pieces per hour to 22.4 pieces per hour, a reduction of 60% of Work-In-Process and a variation decrease of 0.73%.

Keywords: Constraint Management, Manufacturing Process Improvement, Six Sigma, System Thinking.

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Authors: Wei Chen, Cui-you Yao, Yue Qiu

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This paper deals with a portfolio selection problem based on the possibility theory under the assumption that the returns of assets are LR-type fuzzy numbers. A possibilistic portfolio model with transaction costs is proposed, in which the possibilistic mean value of the return is termed measure of investment return, and the possibilistic variance of the return is termed measure of investment risk. Due to considering transaction costs, the existing traditional optimization algorithms usually fail to find the optimal solution efficiently and heuristic algorithms can be the best method. Therefore, a particle swarm optimization is designed to solve the corresponding optimization problem. At last, a numerical example is given to illustrate our proposed effective means and approaches.

Keywords: Possibility theory, portfolio selection, transaction costs, particle swarm optimization.

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Authors: Arti Vaish, Harish Parthasarathy

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The scalar wave equation for a potential in a curved space time, i.e., the Laplace-Beltrami equation has been studied in this work. An action principle is used to derive a finite element algorithm for determining the modes of propagation inside a waveguide of arbitrary shape. Generalizing this idea, the Maxwell theory in a curved space time determines a set of linear partial differential equations for the four electromagnetic potentials given by the metric of space-time. Similar to the Einstein-s formulation of the field equations of gravitation, these equations are also derived from an action principle. In this paper, the expressions for the action functional of the electromagnetic field have been derived in the presence of gravitational field.

Keywords: General theory of relativity, electromagnetism, metric tensor, Maxwells equations, test functions, finite element method.

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Authors: Salem El-tohami Ashoor

Abstract:

Here, we have shown the reaction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri 2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, for optimization we used density functional theory (DFT), under methods, explicitly including electrons correlations, for the final calculations as MB3LYP (Becke) (Lee–Yang–Parr) level of theory we used to obtain more exact results. This complex was calculated as electronic energy for molecular system, because the calculation accounting all electrons correlations interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp = C5H5) was found to be thermally stable. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium (III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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Authors: R. Bawazir, P. Jones

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Social Stories are widely used to teach social and communication skills or concepts to individuals on the autistic spectrum. This paper presents a theoretical framework for using Social Stories in conjunction with the creative arts. The paper argues that Bandura’s social learning theory can be used to explain the mechanisms behind Social Stories and the way they influence changes in response, while Gardner’s multiple intelligences theory can be used simultaneously to demonstrate the role of the creative arts in learning. By using Social Stories with the creative arts for individuals on the autistic spectrum, the aim is to meet individual needs and help individuals with autism to develop in different areas of learning and communication.

Keywords: Individuals on the autistic spectrum, social stories, creative arts, theoretical framework.

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