Search results for: complex dynamic relationship

Authors: Amir Hossein Daei Sorkhabi, Bita Khazini

Abstract:

In this paper the intelligent control of full automatic car wash using a programmable logic controller (PLC) has been investigated and designed to do all steps of carwashing. The Intelligent control of full automatic carwash has the ability to identify and profile the geometrical dimensions of the vehicle chassis. Vehicle dimension identification is an important point in this control system to adjust the washing brushes position and time duration. The study also tries to design a control set for simulating and building the automatic carwash. The main purpose of the simulation is to develop criteria for designing and building this type of carwash in actual size to overcome challenges of automation. The results of this research indicate that the proposed method in process control not only increases productivity, speed, accuracy and safety but also reduce the time and cost of washing based on dynamic model of the vehicle. A laboratory prototype based on an advanced intelligent control has been built to study the validity of the design and simulation which it’s appropriate performance confirms the validity of this study.

Keywords: Automatic Carwash, Dimension, PLC.

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Authors: Mohammed Alkahtani, Ali Ahmad, Saber Darmoul, Shatha Samman, Ayoub Al-zabidi, Khaled Ba Matraf

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Education systems are complex and involve interactions between humans (teachers and students); media based technologies, lectures, classrooms, etc. to provide educational services. The education system performance is characterized by how well students learn, which is measured using student grades on exams and quizzes, achievements on standardized tests, among others. Advances in portable communications technologies, such as mobile phones, tablets, and laptops, created a different type of classroom, where students seem to engage in more than just the intended learning activities. The performance of more than one task in parallel or in rapid transition is commonly known as multitasking. Several operations in educational systems are performed simultaneously, resulting in a multitasking education environment. This paper surveys existing research on multitasking in educational settings, summarizes literature findings, provides a synthesis of the impact of multitasking on performance, and identifies directions of future research.

Keywords: Education systems, GPA, multitasking, performance.

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Authors: Liping Zhou, Liang Bao, Yiqin Lin, Yimin Wei, Qinghua Wu

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This article is devoted to the numerical solution of large-scale quadratic eigenvalue problems. Such problems arise in a wide variety of applications, such as the dynamic analysis of structural mechanical systems, acoustic systems, fluid mechanics, and signal processing. We first introduce a generalized second-order Krylov subspace based on a pair of square matrices and two initial vectors and present a generalized second-order Arnoldi process for constructing an orthonormal basis of the generalized second-order Krylov subspace. Then, by using the projection technique and the refined projection technique, we propose a restarted generalized second-order Arnoldi method and a restarted refined generalized second-order Arnoldi method for computing some eigenpairs of largescale quadratic eigenvalue problems. Some theoretical results are also presented. Some numerical examples are presented to illustrate the effectiveness of the proposed methods.

Keywords: Quadratic eigenvalue problem, Generalized secondorder Krylov subspace, Generalized second-order Arnoldi process, Projection technique, Refined technique, Restarting.

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Authors: Oke Oktavianty, Tadayuki Kyoutani, Shigeyuki Haruyama, Junji Kaneko, Ken Kaminishi

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Modelica has many advantages and it is very useful in modeling and simulation especially for the multi-domain with a complex technical system. However, the big obstacle for a beginner is to understand the basic concept and to build a new system model for a real system. In order to understand how to solve the simple circuit model by hand translation and to get a better understanding of how modelica works, we provide a detailed explanation about solver ordering system in horizontal and vertical sorting and make some proposals for improvement. In this study, some difficulties in using modelica software with the original concept and the comparison with Finite Element Method (FEM) approach is discussed. We also present our textual modeling approach using FEM concept for acausal and causal model construction. Furthermore, simulation results are provided that demonstrate the comparison between using textual modeling with original coding in modelica and FEM concept.

Keywords: FEM, acausal model, modelica, horizontal and vertical sorting.

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Authors: Mingtao Ding, Zheng Tian, Haixia Xu

Abstract:

The batch nature limits the standard kernel principal component analysis (KPCA) methods in numerous applications, especially for dynamic or large-scale data. In this paper, an efficient adaptive approach is presented for online extraction of the kernel principal components (KPC). The contribution of this paper may be divided into two parts. First, kernel covariance matrix is correctly updated to adapt to the changing characteristics of data. Second, KPC are recursively formulated to overcome the batch nature of standard KPCA.This formulation is derived from the recursive eigen-decomposition of kernel covariance matrix and indicates the KPC variation caused by the new data. The proposed method not only alleviates sub-optimality of the KPCA method for non-stationary data, but also maintains constant update speed and memory usage as the data-size increases. Experiments for simulation data and real applications demonstrate that our approach yields improvements in terms of both computational speed and approximation accuracy.

Keywords: adaptive method, kernel principal component analysis, online extraction, recursive algorithm

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Authors: G. Jelic Mrcelic, M. Sliskovic

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In Croatia, the majority of cultured marine fish species are reared in net cages. The intensive production of the fish in net cages may generate the considerable amount of bio waste and change water quality especially in enclosed and semi-enclosed coastal areas. The aim of this paper is to assess the potential impact of sea bass (Dicentrarchus labrax L.) cage farm on water quality. The weak relationship between food supply and water quality parameters (nutrient content and phytoplankton biomass) was found, but significant changes in oxygen saturation was observed in the cages during the warmer period of a year especially in the morning (occasionally it dropped below 70 %). Despite of, satisfactory results of water quality parameters, it is necessary to establish comprehensive monitoring process, especially to include quality assessment of fouling communities.

Keywords: Mariculture, monitoring, fish cages, water quality parameters.

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Authors: Shahrinaz Ismail, Mohd Sharifuddin Ahmad

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This paper presents an analytical framework for an effective online personal knowledge management (PKM) of knowledge workers. The development of this framework is prompted by our qualitative research on the PKM processes and cognitive enablers of knowledge workers in eight organisations selected from three main industries in Malaysia. This multiple-case research identifies the relationships between the effectiveness of four online PKM processes: get/retrieve, understand/analyse, share, and connect. It also establishes the importance of cognitive enablers that mediate this relationship, namely, method, identify, decide and drive. Qualitative analysis is presented as the findings, supported by the preceded quantitative analysis on an exploratory questionnaire survey.

Keywords: Bottom-up approach, knowledge organisation, organisational knowledge management, personal knowledge management, software agent technology.

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Authors: Ali Akbar Jamali

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This paper discusses site selection process for biological soil conservation planning. It was supported by a valuefocused approach and spatial multi-criteria evaluation techniques. A first set of spatial criteria was used to design a number of potential sites. Next, a new set of spatial and non-spatial criteria was employed, including the natural factors and the financial costs, together with the degree of suitability for the Bonkuh watershed to biological soil conservation planning and to recommend the most acceptable program. The whole process was facilitated by a new software tool that supports spatial multiple criteria evaluation, or SMCE in GIS software (ILWIS). The application of this tool, combined with a continual feedback by the public attentions, has provided an effective methodology to solve complex decisional problem in biological soil conservation planning.

Keywords: GIS, Biological soil conservation planning, Spatial multi-criteria evaluation, Iran

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Authors: Farooq A. Al-Sheikh, Ali Elkamel, William A. Anderson

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A fluidized catalytic cracking unit (FCCU) is one of the effective units in many refineries. Modeling and optimization of FCCU were done by many researchers in past decades, but in this research, comparison between post- and oxy-combustion was studied in the regenerator-FCCU. Therefore, a simplified mathematical model was derived by doing mass/heat balances around both reactor and regenerator. A state space analysis was employed to show effects of the flow rates variables such as air, feed, spent catalyst, regenerated catalyst and flue gas on the output variables. The main aim of studying dynamic responses is to figure out the most influencing variables that affect both reactor/regenerator temperatures; also, finding the upper/lower limits of the influencing variables to ensure that temperatures of the reactors and regenerator work within normal operating conditions. Therefore, those values will be used as side constraints in the optimization technique to find appropriate operating regimes. The objective functions were modeled to be maximizing the energy in the reactor while minimizing the energy consumption in the regenerator. In conclusion, an oxy-combustion process can be used instead of a post-combustion one.

Keywords: FCCU modeling, optimization, oxy-combustion post-combustion.

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Authors: Sheeba V.S, Elizabeth Elias

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Optimization of filter banks based on the knowledge of input statistics has been of interest for a long time. Finite impulse response (FIR) Compaction filters are used in the design of optimal signal adapted orthonormal FIR filter banks. In this paper we discuss three different approaches for the design of interpolated finite impulse response (IFIR) compaction filters. In the first method, the magnitude squared response satisfies Nyquist constraint approximately. In the second and third methods Nyquist constraint is exactly satisfied. These methods yield FIR compaction filters whose response is comparable with that of the existing methods. At the same time, IFIR filters enjoy significant saving in the number of multipliers and can be implemented efficiently. Since eigenfilter approach is used here, the method is less complex. Design of IFIR filters in the least square sense is presented.

Keywords: Principal Component Filter Bank, InterpolatedFinite Impulse Response filter, Orthonormal Filter Bank, Eigen Filter.

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Authors: Ramin Karimzadeh, Nazi Rahimi, Mohammad Ghashghaee

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In the present research, steam cracking of two types of feedstocks i.e., naphtha and ethane is simulated for Pyrocrack1-1 and 2/2 coil configurations considering two key parameters of coil outlet temperature (COT) and coil capacity using a radical based kinetic model. The computer model is confirmed using the industrial data obtained from Amirkabir Petrochemical Complex. The results are in good agreement with performance data for naphtha cracking in a wide range of severity (0.4-0.7), and for ethane cracking on various conversions (50-70). It was found that Pyrocrack2-2 coil type is an appropriate choice for steam cracking of ethane at reasonable ethylene yield while resulting in much lower tube wall temperature while Pyrocrack1-1 coil type is a proper selection for liquid feedstocks i.e. naphtha. It can be used for cracking of liquid feedstocks at optimal ethylene yield whereas not exceeding the allowable maximum tube temperature.

Keywords: Coil configuration, Ethane, Naphtha, Steamcracking.

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Authors: Joffroy Beauquier, Yongjie Hu

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The intrusion detection problem has been frequently studied, but intrusion detection methods are often based on a single point of view, which always limits the results. In this paper, we introduce a new intrusion detection model based on the combination of different current methods. First we use a notion of distance to unify the different methods. Second we combine these methods using the Pearson correlation coefficients, which measure the relationship between two methods, and we obtain a combined distance. If the combined distance is greater than a predetermined threshold, an intrusion is detected. We have implemented and tested the combination model with two different public data sets: the data set of masquerade detection collected by Schonlau & al., and the data set of program behaviors from the University of New Mexico. The results of the experiments prove that the combination model has better performances.

Keywords: Intrusion detection, combination, distance, Pearson correlation coefficients.

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Authors: Mohammad Reza Ostad Ali Naghi Kashani

Abstract:

Nowadays, the amounts of companies which tend to have an Enterprise Resource Planning (ERP) application are increasing. Although ERP projects are expensive, time consuming, and complex, there are some successful experiences. These days, developing countries are striving to implement ERP projects successfully; however, there are many obstacles. Therefore, these projects would be failed or partially failed. This paper concerns the implementation of a successful ERP implementation, IFS, in Iran at Dana Geophysics Company (DGC). After a short review of ERP and ERP market in Iran, we propose a three phases deployment methodology (phase 1: Preparation and Business Process Management (BPM) phase 2: implementation and phase 3: testing, golive-1 (pilot) and golive-2 (final)). Then, we present five guidelines (Project Management, Change Management, Business Process Management (BPM), Training& Knowledge Management, and Technical Management), which were chose as work streams. In this case study we present lessons learned in Project management and Business process Management.

Keywords: Business Process Management, Critical Success Factors, ERP, Project Management.

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Authors: Paul W. Murray, Marco Barajas

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Recent changes in supply chains, especially globalization and collaboration, have created new risks for enterprises of all sizes. A variety of complex frameworks, often based on enterprise risk management strategies have been presented under the heading of Supply Chain Risk Management (SCRM). The literature on promotes the benefits of a robust SCRM strategy; however, implementing SCRM is difficult and resource demanding for Large Enterprises (LEs), and essentially out of reach for Small & Medium Enterprises (SMEs). This research debunks the idea that SCRM is necessary for all enterprises and instead proposes a simple and effective Vendor Selection Template (VST). Empirical testing and a survey of supply chain practitioners provide a measure of validation to the VST. The resulting VSTis a valuable contribution because is easy to use, provides practical results, and is sufficiently flexible to be universally applied to SMEs.

Keywords: Multiple Regression Analysis, Supply Chain Management, Risk Assessment, Vendor Selection.

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Authors: Frederick Wedzerai Nyakudya

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In this paper, we examine the relationship between human capital, personal wealth and social capital to explain the differences in start-up rates between female and male entrepreneurs. Since our dependent variable is dichotomous, we examine the determinants of these using a maximum likelihood logit estimator. We used the Global Entrepreneurship Monitor database covering the period 2006 to 2009 with 421 usable cases drawn from the Lower Layer Super Output Areas in East Midlands in the United Kingdom. We found evidence indicating that a female positively moderates the positive relationships between indicators of human capital and personal wealth with start-up activity. The findings have implications for programs, policies, and practices to encourage more females to engage in start-up activity.

Keywords: Entrepreneurship, Global Entrepreneurship Monitor, gender gap, women's entrepreneurship.

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Authors: Danping Lin, C.K.M. Lee

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Re-entrant scheduling is an important search problem with many constraints in the flow shop. In the literature, a number of approaches have been investigated from exact methods to meta-heuristics. This paper presents a genetic algorithm that encodes the problem as multi-level chromosomes to reflect the dependent relationship of the re-entrant possibility and resource consumption. The novel encoding way conserves the intact information of the data and fastens the convergence to the near optimal solutions. To test the effectiveness of the method, it has been applied to the resource-constrained re-entrant flow shop scheduling problem. Computational results show that the proposed GA performs better than the simulated annealing algorithm in the measure of the makespan

Keywords: Resource-constrained, re-entrant, genetic algorithm (GA), multi-level encoding

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Authors: Huang Xiaoling, Liu Lufeng

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In this paper, we seek to determine one reasonable local hub port and optimal routes for a containership fleet, performing pick-ups and deliveries, between the hub and spoke ports in a same region. The relationship between a hub port, and traffic in feeder lines is analyzed. A new network planning method is proposed, an integrated hub port location and route design, a capacitated vehicle routing problem with pick-ups, deliveries and time deadlines are formulated and solved using an improved genetic algorithm for positioning the hub port and establishing routes for a containership fleet. Results on the performance of the algorithm and the feasibility of the approach show that a relatively small fleet of containerships could provide efficient services within deadlines.

Keywords: Route planning, Hub port location, Container feeder service.

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Authors: Yi-Ju Lee

Abstract:

This study identified the hypothesised relationship between creative experience, and revisit intention of handmade oriental parasol umbrella in Kaohsiung, Taiwan. A face-to-face questionnaire survey was administered in Meinong town, Kaohsiung. The components of creative experience were found as “sense of achievement”, “unique learning” and “interaction with instructors” in creative tourism. The result also revealed significant positive relationships between creative experience and revisit intention in handmade activities. This paper provides additional suggestions for enhancing revisit intention and guidance regarding creative tourism.

Keywords: Creative tourism, Sense of achievement, Unique learning, Interaction with instructors, Folk art.

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Authors: Yan Rongxin, Sun Wei, Li Weidan

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Based on the acoustics cascade sound theory, the mechanism of air leak sound producing, transmitting and signal detecting has been analyzed. A formula of the sound power, leak size and air pressure in the spacecraft has been built, and the relationship between leak sound pressure and receiving direction and distance has been studied. The center frequency in millimeter diameter leak is more than 20 kHz. The situation of air leaking from spacecraft to space has been simulated and an experiment of different leak size and testing distance and direction has been done. The sound pressure is in direct proportion to the cosine of the angle of leak to sensor. The portable ultrasonic leak detector has been developed, whose minimal leak rate is 10^-1 Pa·m³/s, the testing radius is longer than 20 mm, the mass is less than 1.0 kg, and the electric power is less than 2.2 W.

Keywords: Leak detection, manned spacecraft, ultrasonic, sound transmitting.

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Authors: Halizah Awang, Ishak Ramly

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Problem-based learning (PBL) is one of the student centered approaches and has been considered by a number of higher educational institutions in many parts of the world as a method of delivery. This paper presents a creative thinking approach for implementing Problem-based Learning in Mechanics of Structure within a Malaysian Polytechnics environment. In the learning process, students learn how to analyze the problem given among the students and sharing classroom knowledge into practice. Further, through this course-s emphasis on problem-based learning, students acquire creative thinking skills and professional skills as they tackle complex, interdisciplinary and real-situation problems. Once the creative ideas are generated, there are useful additional techniques for tender ideas that will grow into a productive concept or solution. The combination of creative skills and technical abilities will enable the students to be ready to “hit-the-ground-running" and produce in industry when they graduate.

Keywords: Creative Thinking Skills, Problem-based Learning, Problem Solving.

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Authors: Arafat A. A. Shabaneh

Abstract:

Harsh environments require developed detection by an optical communication system to ensure a high level of security and safety. Fiber Bragg gratings (FBGs) are emerging sensing instruments that respond to variations in strain and temperature by varying wavelengths. In this study, a cascaded uniform FBG is designed as a strain sensor for 6 km length at 1550 nm wavelength with 30 °C temperature by analyzing dynamic strain and wavelength shifts. The FBG is placed in a small segment of an optical fiber that reflects light with a specific wavelength and passes on the remaining wavelengths. Consequently, periodic alteration occurs in the refractive index in the fiber core. The alteration in the modal index of the fiber is produced by strain effects on a Bragg wavelength. When the developed sensor is exposed to the strain (0.01) of the cascaded uniform FBG, the wavelength shifts by 0.0000144383 μm. The sensing accuracy of the developed sensor is 0.0012. Simulation results show the reliability and effectiveness of the strain monitoring sensor for remote sensing application.

Keywords: Remote sensing, cascaded fiber Bragg grating, strain sensor, wavelength shift.

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Authors: Norbert Burger, Thorsten Staake

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What influences microsystems (MEMS) and nanosystems (NEMS) innovation teams apart from technology complexity? Based on in-depth interviews with innovators, this research explores the key influences on innovation teams in the early phases of MEMS/NEMS. Projects are rare and may last from 5 to 10 years or more from idea to concept. As fundamental technology development in MEMS/NEMS is highly complex and interdisciplinary by involving expertise from different basic and engineering disciplines, R&D is rather a 'testing of ideas' with many uncertainties than a clearly structured process. The purpose of this study is to explore the innovation teams- environment and give specific insights for future management practices. The findings are grouped into three major areas: people, know-how and experience, and market. The results highlight the importance and differences of innovation teams- composition, transdisciplinary knowledge, project evaluation and management compared to the counterparts from new product development teams.

Keywords: Innovation teams, early phases, Microsystems, Nanosystems, technology developments.

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Authors: Fangfang Chen, Chunlu Wang, Zhihong Tian, Shuyuan Jin, Tianle Zhang

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Attack graph is an integral part of modeling the overview of network security. System administrators use attack graphs to determine how vulnerable their systems are and to determine what security measures to deploy to defend their systems. Previous methods on AGG(attack graphs generation) are aiming at the whole network, which makes the process of AGG complex and non-scalable. In this paper, we propose a new approach which is simple and scalable to AGG by decomposing the whole network into atomic domains. Each atomic domain represents a host with a specific privilege. Then the process for AGG is achieved by communications among all the atomic domains. Our approach simplifies the process of design for the whole network, and can gives the attack graphs including each attack path for each host, and when the network changes we just carry on the operations of corresponding atomic domains which makes the process of AGG scalable.

Keywords: atomic domain, vulnerability, attack graphs, generation, computer security

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Authors: José Carlos Rodríguez, Mario Gómez

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The aim of this paper is to get insight on the nature of university-industry technology transfer (UITT) and technology transfer offices (TTOs) activity at universities in the case of emerging economies. In relation to the process of transferring knowledge/technology in the case of emerging economies, knowledge/technology transfer in these economies are more reactive than in developed economies due to differences in maturity of technologies. It is assumed in this paper that knowledge/technology transfer is a complex phenomenon, and thus the paper contributes to get insight on the nature of UITT and TTOs creation in the case of emerging economies by using a system dynamics model of knowledge/technology transfer in these countries. The paper recognizes the differences between industrialized countries and emerging economies on these phenomena.

Keywords: University-industry technology transfer, technology transfer offices, technology transfer models, emerging economies.

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Authors: M. El Mousadik, F. Elkandoussi

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The concern for increased rigor in social management has led more and more Moroccan business leaders to question the value of applying social audit as an essential tool in the management of human resources. Hotel companies are not excluded; in fact, they are expected to implement such an audit to develop sound and credible human resources management (HRM) policies. The main objective of this paper is to establish the relationship between the practice of social audit as a tool, and its impact on the tourism sector, especially on hotels at one of the Morocco’s first and most popular city for tourism, Agadir. This exploratory study of properties in Agadir has revealed that hotel executives are aware of the importance of social auditing to hone their decisions in the field of HRM.

Keywords: Social audit, hotel companies, human resources management, social piloting.

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Authors: A. Chirita, L. Alexandru, D. Marcoci, C. Ene-Draghici

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Minor law breaking seems more and more to be a part of adolescence behavior. An important risk factor which seems to influence delinquency appears to be the socio-economic one. According to Romanian statistics, during the first six months of 2012, 1,378 minors have committed various crimes, the most common being theft, sexual offenses and violent assaults. Drug-related offenses did not reach the gravity of those from high income countries of the European Union, but have a continuous upward during the last years. The aim of our research was to examine whether delinquency in adolescence is correlated to mental disorders or socio-economic and familial factors. Forensic psychiatric expertise was performed to 79 adolescents who committed offenses between 01 January 2012 and 31 December 2012. Teenagers, with ages between 12 and 17, were examined by day hospitalization in the University Clinic of Psychiatry Craiova.

Keywords: Adolescents, criminal behavior, mental illness.

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Authors: Seyed Sadegh Naseralavi, Sohrab Nemati, Ehsan Khojastehfar, Sadegh Balaghi

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In the present research, various formulations of wavelet transform are applied on acceleration time history of earthquake. The mentioned transforms decompose the strong ground motion into low and high frequency parts. Since the high frequency portion of strong ground motion has a minor effect on dynamic response of structures, the structure is excited by low frequency part. Consequently, the seismic response of structure is predicted consuming one half of computational time, comparing with conventional time history analysis. Towards reducing the computational effort needed in seismic optimization of structure, seismic optimization of a shear frame structure is conducted by applying various forms of mentioned transformation through genetic algorithm.

Keywords: Time history analysis, wavelet transform, optimization, earthquake.

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Authors: R. Nandikeswari, M. Sambasivam, V. Anandan

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In the present study fecundity of Terapon jarbua was estimated for 41 matured females from the Bay of Bengal, Pondicherry. The fecundity (F) was found to range from 13,475 to 115,920 in fishes between 173-278mm Total length (TL) and 65- 298 gm weight respectively. The co-efficient of correlation for F/TL (log F = - 4.821 + 4.146 log TL), F/SL (log F = -3.936 + 3.867 log SL), F/WF (log F = 1.229 + 0.730 log TW) and F/GW (log F = 0.724 + 1.113 log GW) were obtained as 0.474, 0.537, 0.641 and 0.908 respectively. The regression line for the TL, SL, WF and GW of the fishes were found to be linear when they were plotted against their fecundity on logarithmic scales. Highly significant (P<0.01) relationship was obtained for all the variables. Hence Total Length, Standard Length, Weight of Fish and Gonad Weight were found to be the best indicators of the fecundity of Terapon jarbua. Gonadosomatic indices of Terapon jarbua showed that the spawning took place in February to July. The overall sex ratio of male to female is 1.28:1 with chi-square value 5.719, significant at 5% level.

Keywords: Fecundity, Gonadosomatic index, Reproductive biology, spawning, Terapon jarbua.

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Authors: M. Ramadan, B. Salah

Abstract:

This paper introduces a framework to digitalize lean manufacturing tools to enhance smart lean-based manufacturing environments or Lean 4.0 manufacturing systems. The paper discusses the integration between lean tools and the powerful features of recent real-time data capturing systems with the help of Information and Communication Technologies (ICT) to develop an intelligent real-time monitoring and controlling system of production operations concerning lean targets. This integration is represented in the Lean 4.0 system called Dynamic Value Stream Mapping (DVSM). Moreover, the paper introduces the practice of Radio Frequency Identification (RFID) and ICT to smartly support lean tools and practices during daily production runs to keep the lean system alive and effective. This work introduces a practical description of how the lean method tools 5S, standardized work, and poka-yoke can be digitalized and smartly monitored and controlled through DVSM. A framework of the three tools has been discussed and put into practice in a German switchgear manufacturer.

Keywords: Lean manufacturing, Industry 4.0, radio frequency identification, value stream mapping.

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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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