Search results for: Euler-Bernoulli theory

Authors: Naser Zourikalatehsamad, Seyed Abdorreza Payambarpour, Ibrahim Alwashali, Zahra Abdolkarimi

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The paper aims to evaluate the effect of online advertising on consumer purchase behavior in Malaysian organizations. The paper has potential to extend and refine theory. A survey was distributed among Students of UTM university during the winter 2014 and 160 responses were collected. Regression analysis was used to test the hypothesized relationships of the model. Result shows that the predictors (cost saving factor, convenience factor and customized product or services) have positive impact on intention to continue seeking online advertising.

Keywords: Consumer purchase, convenience, customized product, cost saving, customization, flow theory, mass communication, online advertising ads, online advertising measurement, online advertising mechanism, online intelligence system, self-confidence, willingness to purchase.

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Authors: K. P. K. S. Lahirushan, W. G. V. Gunasekara

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Main purpose of this study is to identify the impact of government expenditure on economic growth in Asian Countries. Consequently, main objective is to analyze whether government expenditure causes economic growth in Asian countries vice versa and then scrutinizing long-run equilibrium relationship exists between them. The study completely based on secondary data. The methodology being quantitative that includes econometrical techniques of cointegration, panel fixed effects model and granger causality in the context of panel data of Asian countries; Singapore, Malaysia, Thailand, South Korea, Japan, China, Sri Lanka, India and Bhutan with 44 observations in each country, totaling to 396 observations from 1970 to 2013. The model used is the random effects panel OLS model. As with the above methodology, the study found the fascinating outcome. At first, empirical findings exhibit a momentous positive impact of government expenditure on Gross Domestic Production in Asian region. Secondly, government expenditure and economic growth indicate a long-run relationship in Asian countries. In conclusion, there is a unidirectional causality from economic growth to government expenditure and government expenditure to economic growth in Asian countries. Hence the study is validated that it is in line with the Keynesian theory and Wagner’s law as well. Consequently, it can be concluded that role of government would play a vital role in economic growth of Asian Countries. However; if government expenditure did not figure out with the economy’s needs it might be considerably inspiration the economy in a negative way so that society bears the costs.

Keywords: Asian Countries, Government Expenditure, Keynesian theory, Wagner’s theory, Random effects panel OLS model.

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Authors: Peter N. Khakina, Mohammed I. Ali, Enchun Zhu, Huazhang Zhou, Baydaa H. Moula

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Rise/span ratio has been mentioned as one of the reasons which contribute to the lower buckling load as compared to the Classical theory buckling load but this ratio has not been quantified in the equation. The purpose of this study was to determine a more realistic buckling load by quantifying the effect of the rise/span ratio because experiments have shown that the Classical theory overestimates the load. The buckling load equation was derived based on the theorem of work done and strain energy. Thereafter, finite element modeling and simulation using ABAQUS was done to determine the variables that determine the constant in the derived equation. The rise/span was found to be the determining factor of the constant in the buckling load equation. The derived buckling load correlates closely to the load obtained from experiments.

Keywords: Buckling, Finite element, Rise/span ratio, Sphericalcap

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Authors: Janet B. Badong-Badilla

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In Jesuit universities, laypersons, who come from the same or different faith backgrounds or traditions, are considered as collaborators in mission. The Jesuits themselves support the contributions of the lay partners in realizing the mission of the Society of Jesus and recognize the important role that they play in education. This study aims to investigate and generate particular notions and understandings of lived experiences of being a lay partner in Jesuit universities in the Philippines, particularly those involved in higher education. Using the qualitative approach as introduced by grounded theorist Barney Glaser, the lay partners’ concept of being a partner, as lived in higher education, is generated systematically from the data collected in the field primarily through in-depth interviews, field notes and observations. Glaser’s constant comparative method of analysis of data is used going through the phases of open coding, theoretical coding, and selective coding from memoing to theoretical sampling to sorting and then writing. In this study, Glaser’s grounded theory as a methodology will provide a substantial insight into and articulation of the layperson’s actual experience of being a partner of the Jesuits in education. Such articulation provides a phenomenological approach or framework to an understanding of the meaning and core characteristics of Jesuit-Lay partnership in Jesuit educational institution of higher learning in the country. This study is expected to provide a framework or model for lay partnership in academic institutions that have the same practice of having lay partners in mission.

Keywords: Grounded theory, Jesuit mission in higher education, lay partner, lived experience.

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Authors: Mona Masood, Zakiah Zain

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This study was conducted in Malaysia to discover how meaning and appreciation were construed among 35 Form Five students. Panofsky-s theory was employed to discover the levels of reasoning among students when various types of posters were displayed. The independent variables used were posters that carried explicit and implicit meanings; the moderating variable was students- visual literacy levels while the dependent variable was the implicit interpretation level. One-way ANOVA was applied for the data analysis. The data showed that before students were exposed to Panofsky-s theory, there were differences in thinking between boys, who did not think abstractly or implicit in comparison to girls. The study showed that students- visual literacy in posters depended on the use of visual texts and illustration. This paper discuss further on posters with text only have a tendency to be too abstract as opposed to posters with visuals plus text.

Keywords: explicit visual, implicit visual, visual interpretation, visual literacy

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Authors: Wiem Gadri

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This study delves into the intriguing properties of Pisot and Salem numbers within the framework of formal Laurent series over finite fields, a domain where these numbers’ spectral characteristics, Λm(β) and lm(β), have yet to be fully explored. Utilizing a methodological approach that combines algebraic number theory with the analysis of power series, we extend the foundational work of Erdos, Joo, and Komornik to this setting. Our research uncovers bounds for lm(β), revealing how these depend on the degree of the minimal polynomial of β and thus offering a characterization of Pisot and Salem formal power series. The findings significantly contribute to our understanding of these numbers, highlighting their distribution and properties in the context of formal power series. This investigation not only bridges number theory with formal power series analysis but also sets the stage for further interdisciplinary research in these areas.

Keywords: Pisot numbers, Salem numbers, Formal power series, Minimal polynomial degree.

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Authors: Mohammad Najafi Nobar, Bahareh Pourmehr, Mehdi Hajimirarab

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One of the main processes of supply chain management is supplier selection process which its accurate implementation can dramatically increase company competitiveness. In presented article model developed based on the features of second tiers suppliers and four scenarios are predicted in order to help the decision maker (DM) in making up his/her mind. In addition two tiers of suppliers have been considered as a chain of suppliers. Then the proposed approach is solved by a method combined of concepts of fuzzy set theory (FST) and linear programming (LP) which has been nourished by real data extracted from an engineering design and supplying parts company. At the end results reveal the high importance of considering second tier suppliers features as criteria for selecting the best supplier.

Keywords: Supply Chain Management (SCM), SupplierSelection, Second Tier Supplier, Scenario Planning, Green Factor, Linear Programming, Fuzzy Set Theory

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Authors: Mei L. Lin, Pi-Yueh Cheng

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Classes on creativity, innovation, and entrepreneurship are becoming quite popular at universities throughout the world. However, it is not easy for business students to get involved to innovative activities, especially patent application. The present study investigated how to enhance business students- intention to participate in innovative activities and which incentives universities should consider. A 22-item research scale was used, and confirmatory factor analysis was conducted to verify its reliability and validity. Multiple regression and discriminant analyses were also conducted. The results demonstrate the effect of growth-need strength on innovative behavior and indicate that the theory of planned behavior can explain and predict business students- intention to participate in innovative activities. Additionally, the results suggest that applying our proposed model in practice would effectively strengthen business students- intentions to engage in innovative activities.

Keywords: discriminant analysis, growth need strength, innovative behavior, TPB model

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Authors: M. A. Torkamani, S. Mahmoodzadeh, S. Pourroostaei, C. Lucas

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Daily production of information and importance of the sequence of produced data in forecasting future performance of market causes analysis of data behavior to become a problem of analyzing time series. But time series that are very complicated, usually are random and as a result their changes considered being unpredictable. While these series might be products of a deterministic dynamical and nonlinear process (chaotic) and as a result be predictable. Point of Chaotic theory view, complicated systems have only chaotically face and as a result they seem to be unregulated and random, but it is possible that they abide by a specified math formula. In this article, with regard to test of strange attractor and biggest Lyapunov exponent probability of chaos on several foreign exchange rates vs. IRR (Iranian Rial) has been investigated. Results show that data in this market have complex chaotic behavior with big degree of freedom.

Keywords: Chaos, Exchange Rate, Nonlinear Models.

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Authors: Michele V. Carbinatto, Wagner Wey Moreira, Myrian Nunomura; Mariana H. C. Tsukamoto, VilmaLeni Nista-Piccolo

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Sports Sciences has been historically supported by the positivism idea of science, especially by the mechanistic/reductionist and becomes a field that views experimentation and measurement as the mayor research domains. The disposition to simplify nature and the world by parts has fragmented and reduced the idea of bodyathletes as machine. In this paper we intent to re-think this perception lined by Complexity Theory. We come with the idea of athletes as a reflexive and active being (corporeity-body). Therefore, the construction of a training that considers the cultural, biological, psychological elements regarding the experience of the human corporal movements in a circumspect and responsible way could bring better chances of accomplishment. In the end, we hope to help coaches understand the intrinsic complexity of the body they are training, how better deal with it, and, in the field of a deep globalization among the different types of knowledge, to respect and accepted the peculiarities of knowledge that comprise this area.

Keywords: Sport science, body, complexity theory, corporeity.

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Authors: Benedetto Manganelli, Beniamino Murgante

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The distinction among urban, periurban and rural areas represents a classical example of uncertainty in land classification. Satellite images, geostatistical analysis and all kinds of spatial data are very useful in urban sprawl studies, but it is important to define precise rules in combining great amounts of data to build complex knowledge about territory. Rough Set theory may be a useful method to employ in this field. It represents a different mathematical approach to uncertainty by capturing the indiscernibility. Two different phenomena can be indiscernible in some contexts and classified in the same way when combining available information about them. This approach has been applied in a case of study, comparing the results achieved with both Map Algebra technique and Spatial Rough Set. The study case area, Potenza Province, is particularly suitable for the application of this theory, because it includes 100 municipalities with different number of inhabitants and morphologic features.

Keywords: Land Classification, Map Algebra, Periurban Fringe, Rough Set, Urban Planning, Urban Sprawl.

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Authors: Nameesh Miglani, Rajeev Saha, R. S. Parihar

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Estimation of the quality regarding higher education within a university is practically long drawn process besides being difficult to measure primarily due to lack of a standard scale. National Assessment and Accreditation Council (NAAC) evolved a methodology of assessment which involves self-appraisal by each university/college and an assessment of performance by an expert committee. The attributes involved in assessing a university may not be totally independent from each other thereby necessitating the consideration of interdependencies. The present study focuses on evaluation of assessment criteria using graph theoretic approach and fuzzy treatment of data collected from the students. The technique will provide a suitable platform to university management team to cross check assessment of education quality by considering interdependencies of the attributes using graph theory.

Keywords: Graph theory, NAAC accreditation criteria, Indian University accreditation process.

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Authors: Yu Li, Jingwu He, Yuexi Xiong

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The spar layout will affect the wing’s stiffness characteristics, and irrational spar arrangement will reduce the overall bending and twisting resistance capacity of the wing. In this paper, the active structural stiffness design theory is used to match the stiffness-center axis position and load-cases under the corresponding multiple flight conditions, in order to achieve better stiffness properties of the wing. The combination of active stiffness method and principle of stiffness distribution is proved to be reasonable supplying an initial reference for wing designing. The optimized layout of spars is eventually obtained, and the high-aspect-ratio wing will have better stiffness characteristics.

Keywords: Active structural stiffness design theory, high-aspect-ratio wing, flight load cases, layout of spars.

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Authors: Azizan Bin Saaban, Adyda Binti Ibrahim, Mohammad Shehzad, Israr Ahmad

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In chaos synchronization, the main goal is to design such controller(s) that synchronizes the states of master and slave system asymptotically globally. This paper studied and investigated the synchronization problem of two identical Chen, and identical Tigan chaotic systems and two non-identical Chen and Tigan chaotic systems using Non-linear active control algorithm. In this study, based on Lyapunov stability theory and using non-linear active control algorithm, it has been shown that the proposed schemes have excellent transient performance using only two nonlinear controllers and have shown analytically as well as graphically that synchronization is asymptotically globally stable.

Keywords: Nonlinear Active Control, Chen and Tigan Chaotic systems, Lyapunov Stability theory, Synchronization.

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Authors: R. Dyondi, S. K. Jha

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The purpose of the paper is to address the strategic risk issues surrounding Hindi film distribution in Mumbai for a film distributor, who acts as an entrepreneur when launching a product (movie) in the market (film territory).The paper undertakes a fundamental review of films and risk in the Hindi film industry and applies Grounded Theory technique to understand the complex phenomena of risk taking behavior of the film distributors (both independent and studios) in Mumbai. Rich in-depth interviews with distributors are coded to develop core categories through constant comparison leading to conceptualization of the phenomena of interest. This paper is a first-of-its-kind-attempt to understand risk behavior of a distributor, which is akin to entrepreneurial risk behavior under conditions of uncertainty.

Keywords: Entrepreneurial Risk Behavior, Film Distribution Strategy, Hindi Film Industry, Risk.

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Authors: F. Habib, A. Shokoohi

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Urban problems are problems of organized complexity. Thus, many models and scientific methods to resolve urban problems are failed. This study is concerned with proposing of a fuzzy system driven approach for classification and solving urban problems. The proposed study investigated mainly the selection of the inputs and outputs of urban systems for classification of urban problems. In this research, five categories of urban problems, respect to fuzzy system approach had been recognized: control, polytely, optimizing, open and decision making problems. Grounded Theory techniques were then applied to analyze the data and develop new solving method for each category. The findings indicate that the fuzzy system methods are powerful processes and analytic tools for helping planners to resolve urban complex problems. These tools can be successful where as others have failed because both incorporate or address uncertainty and risk; complexity and systems interacting with other systems.

Keywords: Classification, complexity, Fuzzy theory, urban problems.

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Authors: Mohammadhosein Hasanbeig, Lacra Pavel

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In this paper, we study a distributed control algorithm for the problem of unknown area coverage by a network of robots. The coverage objective is to locate a set of targets in the area and to minimize the robots’ energy consumption. The robots have no prior knowledge about the location and also about the number of the targets in the area. One efficient approach that can be used to relax the robots’ lack of knowledge is to incorporate an auxiliary learning algorithm into the control scheme. A learning algorithm actually allows the robots to explore and study the unknown environment and to eventually overcome their lack of knowledge. The control algorithm itself is modeled based on game theory where the network of the robots use their collective information to play a non-cooperative potential game. The algorithm is tested via simulations to verify its performance and adaptability.

Keywords: Distributed control, game theory, multi-agent learning, reinforcement learning.

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Authors: Bianca A. Szasz, Keiichi Okuyama

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As the human race will continue to explore the space by creating new space transportation means and sending them to other planets, the enhance of atmospheric reentry study is crucial. In this context, an analysis of mass recession rate of ablative materials for thermal shields of reentry spacecrafts is important to be carried out. The paper describes a new estimation method for calculating the mass recession of an ablator system made of carbon fiber reinforced plastic materials. This method is based on Arrhenius equation for low temperatures and, for high temperatures, on a theory applied for the recession phenomenon of carbon fiber reinforced plastic materials, theory which takes into account the presence of the resin inside the materials. The space mission of USERS spacecraft is considered as a case study.

Keywords: Ablator system, mass recession, spacecraft, atmospheric reentry.

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Authors: M. Sedighizadeh, A. Rezazadeh

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Due to the increasing penetration of wind energy, it is necessary to possess design tools that are able to simulate the impact of these installations in utility grids. In order to provide a net contribution to this issue a detailed wind park model has been developed and is briefly presented. However, the computational costs associated with the performance of such a detailed model in describing the behavior of a wind park composed by a considerable number of units may render its practical application very difficult. To overcome this problem integral manifolds theory has been applied to reduce the order of the detailed wind park model, and therefore create the conditions for the development of a dynamic equivalent which is able to retain the relevant dynamics with respect to the existing a.c. system. In this paper integral manifold method has been introduced for order reduction. Simulation results of the proposed method represents that integral manifold method results fit the detailed model results with a higher precision than singular perturbation method.

Keywords: Wind, Reduced Order, Integral Manifold.

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Authors: Masamitsu Chikaraishi, Mutsuto Kawahara

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This paper focuses on a technique for identifying the geological boundary of the ground strata in front of a tunnel excavation site using the first order adjoint method based on the optimal control theory. The geological boundary is defined as the boundary which is different layers of elastic modulus. At tunnel excavations, it is important to presume the ground situation ahead of the cutting face beforehand. Excavating into weak strata or fault fracture zones may cause extension of the construction work and human suffering. A theory for determining the geological boundary of the ground in a numerical manner is investigated, employing excavating blasts and its vibration waves as the observation references. According to the optimal control theory, the performance function described by the square sum of the residuals between computed and observed velocities is minimized. The boundary layer is determined by minimizing the performance function. The elastic analysis governed by the Navier equation is carried out, assuming the ground as an elastic body with linear viscous damping. To identify the boundary, the gradient of the performance function with respect to the geological boundary can be calculated using the adjoint equation. The weighed gradient method is effectively applied to the minimization algorithm. To solve the governing and adjoint equations, the Galerkin finite element method and the average acceleration method are employed for the spatial and temporal discretizations, respectively. Based on the method presented in this paper, the different boundary of three strata can be identified. For the numerical studies, the Suemune tunnel excavation site is employed. At first, the blasting force is identified in order to perform the accuracy improvement of analysis. We identify the geological boundary after the estimation of blasting force. With this identification procedure, the numerical analysis results which almost correspond with the observation data were provided.

Keywords: Parameter identification, finite element method, average acceleration method, first order adjoint equation method, weighted gradient method, geological boundary, navier equation, optimal control theory.

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Authors: Bubaker F. Shareia, Almuetaz R. Boubakr

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The aim of this paper is to show how Libya’s legal, economic, political, social, and cultural systems have shaped Libyan development. This will provide a background to develop an understanding of the current role of the accounting information system in Libya and the challenges facing the design of the aeronautical information system to meet the development needs of Libya. Our knowledge of the unified economic operating systems of the world paves the way for the economic development of every developing country. In order to achieve this understanding, every developing country should be provided with a high-efficiency communications system in order to be able to interact globally. From the point of view of the theory of globalization, Libya's understanding of its socio-economic and political systems is vital in order to be able to adopt and apply accounting techniques that will assist in the economic development of Libya.

Keywords: Accounting, economic development, globalisation theory, information system.

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Authors: M.R.Alinaghizadehand, M.R.Isvandzibaei

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Study of the vibration cylindrical shells made of a functionally gradient material (FGM) composed of stainless steel and nickel is important. Material properties are graded in the thickness direction of the shell according to volume fraction power law distribution. The objective is to study the natural frequencies, the influence of constituent volume fractions and the effects of boundary conditions on the natural frequencies of the FG cylindrical shell. The study is carried out using third order shear deformation shell theory. The governing equations of motion of FG cylindrical shells are derived based on shear deformation theory. Results are presented on the frequency characteristics, influence of constituent volume fractions and the effects of clampedclamped boundary conditions.

Keywords: Vibration, FGM, Cylindrical shell, Hamilton's principle.

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Authors: Adriana Ávila Zúñiga Nordfjeld

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This paper provides a literature review to document the state of the art with respect to handling “human bias” in decision making within the established quality management systems (QMS) and LEAN theory, in the context of shipbuilding. Previous research shows that in shipbuilding there is a huge deviation from the planned man-hours under the project management to the actual man-hours used because of errors in planning and reworks caused by human bias in the information flows, among others. This reduces the efficiency, and increases operational costs. Thus, the research question is how QMS and LEAN handle biases. The findings show the gap in studying the integration of methods to handle human bias in decision making into QMS and lean, not only within shipbuilding, but in general. Theoretical and practical implications are discussed for researchers and practitioners in the areas of decision making, QMS and LEAN, and future research is suggested.

Keywords: Human bias, decision making, LEAN Shipbuilding, quality management systems.

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Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH₂)₃NAr)}^2-((ηⁿ-Cp)Cp)} (Ar = 2,6-Prⁱ₂C₆H₃)(Cp = C₅H₅ and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH₂)₃NAr)₂Cl(η⁵-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH₂)₃NAr)₂Cl(η¹-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. 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: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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

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This paper studies free vibration of functionally graded beams Subjected to Axial 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. The Young's modulus of beam is assumed to be graded continuously across the beam thickness. Applying the Hamilton's principle, the governing equation is established. Resulting equation is solved using the Euler's Equation. The effects of the constituent volume fractions and foundation coefficient on the vibration frequency are presented. To investigate the accuracy of the present analysis, a compression study is carried out with a known data.

Keywords: Functionally Graded Beam, Free Vibration, Elastic Foundation, Engesser-Timoshenko Beam Theory.

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Authors: Haotian Wu

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This article examines the figure Zhao Tao in Jia Zhangke’s films in light of Carl Jung’s psychoanalytical theory. Zhao is a recurring aesthetic trope in Jia’s films, and the characters she plays often have an intimate relationship with the past. Nevertheless, this relationship has not been systematically investigated, especially its symbolism of the typical relationship between the past and the self in post-social China. To fill this research gap, the article will explore how Zhao’s characters discover, preserve, and adapt the past in I Wish I knew (2010), Mountains May Depart (2015), and Ash Is Purest White (2018). Through a Jungian lens, these three levels of engagement with the past will be demonstrated as corresponding with Jung’s psychoanalytical theory of self-realisation, which entails the confrontation with the shadow, the embodiment of the archetype, and individuation. Thus, by articulating a film-philosophy dialogue between Jia and Jung, this article will develop a philosophy of self-realisation based on the symbolism of Zhao. Through the reintegration of the past, the individuals can overcome the fragmentation of temporality and selfhood in the postmodern world and achieve self-realisation.

Keywords: Jia Zhangke, Jung, psychoanalysis, self-realisation.

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Authors: Renáta Iváncsy, István Vajk

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The various types of frequent pattern discovery problem, namely, the frequent itemset, sequence and graph mining problems are solved in different ways which are, however, in certain aspects similar. The main approach of discovering such patterns can be classified into two main classes, namely, in the class of the levelwise methods and in that of the database projection-based methods. The level-wise algorithms use in general clever indexing structures for discovering the patterns. In this paper a new approach is proposed for discovering frequent sequences and tree-like patterns efficiently that is based on the level-wise issue. Because the level-wise algorithms spend a lot of time for the subpattern testing problem, the new approach introduces the idea of using automaton theory to solve this problem.

Keywords: Frequent pattern discovery, graph mining, pushdownautomaton, sequence mining, state machine, tree mining.

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Authors: Marios Poulos, Sozon Papavlasopoulos, V. S. Belesiotis

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In the proposed method for Web page-ranking, a novel theoretic model is introduced and tested by examples of order relationships among IP addresses. Ranking is induced using a convexity feature, which is learned according to these examples using a self-organizing procedure. We consider the problem of selforganizing learning from IP data to be represented by a semi-random convex polygon procedure, in which the vertices correspond to IP addresses. Based on recent developments in our regularization theory for convex polygons and corresponding Euclidean distance based methods for classification, we develop an algorithmic framework for learning ranking functions based on a Computational Geometric Theory. We show that our algorithm is generic, and present experimental results explaining the potential of our approach. In addition, we explain the generality of our approach by showing its possible use as a visualization tool for data obtained from diverse domains, such as Public Administration and Education.

Keywords: Computational Geometry, Education, e-Governance, Semantic Web.

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

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

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

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

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

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

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