Search results for: Proximal Policy Optimization

Authors: María Teresa García-Álvarez, Isabel Soares, Rosa María Mariz-Pérez

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Directive 2009/28/CE establishes, as obligatory objective, a share of renewable energies on energetic consumption of 20%, in European Union, in 2020 However, such European normative gives freedom to member states in the selection of the renewable promotion mechanism that allows them to obtain that objective. In this paper, we analyze the main characteristics of the promotion mechanisms of renewable energy used in the countries that shape the Electricity Iberian Market (Spain and Portugal) and the results in employment. The importance of these countries is given by the great increasing of the renewable energies which suppose a share higher than 30% of the overall generation in 2010. Therefore, this research paper can serve as the basis for the learning of other countries with regard to the main advantages that entail the use of a feed-in tariff system.

Keywords: Employment, Energy policy, Professional profiles, Renewable energies, Professional profiles.

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Authors: Ali Nouri

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Neuroeducation is one of the most exciting research fields which is continually evolving. However, there is a need to develop its theoretical bases in connection to practice. The present paper is a starting attempt in this regard to provide a space from which to think about neuroeducational theory and invoke more investigation in this area. Accordingly, a comprehensive theory of neuroeducation could be defined as grouping or clustering of concepts and propositions that describe and explain the nature of human learning to provide valid interpretations and implications useful for educational practice in relation to philosophical aspects or values. Whereas it should be originated from the philosophical foundations of the field and explain its normative significance, it needs to be testable in terms of rigorous evidence to fundamentally advance contemporary educational policy and practice. There is thus pragmatically a need to include a course on neuroeducational theory into the curriculum of the field. In addition, there is a need to articulate and disseminate considerable discussion over the subject within professional journals and academic societies.

Keywords: Neuroeducation studies, neuroeducational theory, theory building, neuroeducation research.

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Authors: Ziyad Aljarboua

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In this paper, we present a technical and an economic assessment of several sources of renewable energy in Saudi Arabia; mainly solar, wind, hydro and biomass. We analyze the environmental and climatic conditions in relation to these sources and give an overview of some of the existing clean energy technologies. Using standardized cost and efficiency data, we carry out a cost benefit analysis to understand the economic factors influencing the sustainability of energy production from renewable sources in light of the energy cost and demand in the Saudi market. Finally, we take a look at the Saudi petroleum industry and the existing sources of conventional energy and assess the potential of building a successful market for renewable energy under the constraints imposed by the flow of subsidized cheap oil. We show that while some renewable energy resources are well suited for distributed or grid connected generation in the kingdom, their viability is greatly undercut by the well developed and well capitalized oil industry.

Keywords: Energy strategy, energy policy, renewable energy, Saudi Arabia, oil.

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Authors: Hatem. Elmeddeb, Noureddine, Hamdi, Ammar. Bouallègue

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In this paper, a joint source-channel coding (JSCC) scheme for time-varying channels is presented. The proposed scheme uses hierarchical framework for both source encoder and transmission via QAM modulation. Hierarchical joint source channel codes with hierarchical QAM constellations are designed to track the channel variations which yields to a higher throughput by adapting certain parameters of the receiver to the channel variation. We consider the problem of still image transmission over time-varying channels with channel state information (CSI) available at 1) receiver only and 2) both transmitter and receiver being informed about the state of the channel. We describe an algorithm that optimizes hierarchical source codebooks by minimizing the distortion due to source quantizer and channel impairments. Simulation results, based on image representation, show that, the proposed hierarchical system outperforms the conventional schemes based on a single-modulator and channel optimized source coding.

Keywords: Channel-optimized VQ (COVQ), joint optimization, QAM, hierarchical systems.

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Authors: Pavan K. Rallabandi, Kailash C. Patidar

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In this paper, we present an optimization technique or a learning algorithm using the hybrid architecture by combining the most popular sequence recognition models such as Recurrent Neural Networks (RNNs) and Hidden Markov models (HMMs). In order to improve the sequence/pattern recognition/classification performance by applying a hybrid/neural symbolic approach, a gradient descent learning algorithm is developed using the Real Time Recurrent Learning of Recurrent Neural Network for processing the knowledge represented in trained Hidden Markov Models. The developed hybrid algorithm is implemented on automata theory as a sample test beds and the performance of the designed algorithm is demonstrated and evaluated on learning the deterministic finite state automata.

Keywords: Hybrid systems, Hidden Markov Models, Recurrent neural networks, Deterministic finite state automata.

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Authors: Gayadhar Panda, P. K. Rautraya

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In this paper, an investigation into the use of modified Genetic Algorithm optimized SSSC based controller to aid damping of low frequency inter-area oscillations in power systems is presented. Controller design is formulated as a nonlinear constrained optimization problem and modified Genetic Algorithm (MGA) is employed to search for the optimal controller parameters. For evaluation of effectiveness and robustness of proposed controllers, the performance was tested on multi-machine system subjected to different disturbances, loading conditions and system parameter variations. Simulation results are presented to show the fine performance of the proposed SSSC controller in damping the critical modes without significantly deteriorating the damping characteristics of other modes in multi-machine power system.

Keywords: SSSC, FACTS, Controller Design, Damping of Oscillations, Multi-machine system, Modified Genetic Algorithm (MGA).

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Authors: Chunshien Li, Jhao-Wun Hu, Tai-Wei Chiang, Tsunghan Wu

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Time series forecasting is an important and widely popular topic in the research of system modeling. This paper describes how to use the hybrid PSO-RLSE neuro-fuzzy learning approach to the problem of time series forecasting. The PSO algorithm is used to update the premise parameters of the proposed prediction system, and the RLSE is used to update the consequence parameters. Thanks to the hybrid learning (HL) approach for the neuro-fuzzy system, the prediction performance is excellent and the speed of learning convergence is much faster than other compared approaches. In the experiments, we use the well-known Mackey-Glass chaos time series. According to the experimental results, the prediction performance and accuracy in time series forecasting by the proposed approach is much better than other compared approaches, as shown in Table IV. Excellent prediction performance by the proposed approach has been observed.

Keywords: forecasting, hybrid learning (HL), Neuro-FuzzySystem (NFS), particle swarm optimization (PSO), recursiveleast-squares estimator (RLSE), time series

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Authors: Rossella Arcucci, Luisa D’Amore, Simone Celestino, Giuseppe Scotti, Giuliano Laccetti

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This work is the first dowel in a rather wide research activity in collaboration with Euro Mediterranean Center for Climate Changes, aimed at introducing scalable approaches in Ocean Circulation Models. We discuss designing and implementation of a parallel algorithm for solving the Variational Data Assimilation (DA) problem on Graphics Processing Units (GPUs). The algorithm is based on the fully scalable 3DVar DA model, previously proposed by the authors, which uses a Domain Decomposition approach (we refer to this model as the DD-DA model). We proceed with an incremental porting process consisting of 3 distinct stages: requirements and source code analysis, incremental development of CUDA kernels, testing and optimization. Experiments confirm the theoretic performance analysis based on the so-called scale up factor demonstrating that the DD-DA model can be suitably mapped on GPU architectures.

Keywords: Data Assimilation, Parallel Algorithm, GPU architectures, Ocean Models.

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Authors: Henri Champliaud, Zhengkun Feng, Ngan Van Lê, Javad Gholipour

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In this article, a method is presented to effectively estimate the deformed shape of a thick plate due to line heating. The method uses a fifth order spline interpolation, with up to C3 continuity at specific points to compute the shape of the deformed geometry. First and second order derivatives over a surface are the resulting parameters of a given heating line on a plate. These parameters are determined through experiments and/or finite element simulations. Very accurate kriging models are fitted to real or virtual surfaces to build-up a database of maps. Maps of first and second order derivatives are then applied on numerical plate models to evaluate their evolving shapes through a sequence of heating lines. Adding an optimization process to this approach would allow determining the trajectories of heating lines needed to shape complex geometries, such as Francis turbine blades.

Keywords: Deformation, kriging, fifth order spline interpolation, first, second and third order derivatives, C3 continuity, line heating, plate forming, thermal forming.

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Authors: Shweta Kumari, Parmjit S. Panesar, Manab B. Bera

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The hydrolysis of lactose using β-galactosidase is one of the most promising biotechnological applications, which has wide range of potential applications in food processing industries. However, due to intracellular location of the yeast enzyme, and expensive extraction methods, the industrial applications of enzymatic hydrolysis processes are being hampered. The use of permeabilization technique can help to overcome the problems associated with enzyme extraction and purification of yeast cells and to develop the economically viable process for the utilization of whole cell biocatalysts in food industries. In the present investigation, standardization of permeabilization process of novel yeast isolate was carried out using a statistical model approach known as Response Surface Methodology (RSM) to achieve maximal b-galactosidase activity. The optimum operating conditions for permeabilization process for optimal β-galactosidase activity obtained by RSM were 1:1 ratio of toluene (25%, v/v) and ethanol (50%, v/v), 25.0 ^oC temperature and treatment time of 12 min, which displayed enzyme activity of 1.71 IU /mg DW.

Keywords: β-galactosidase, optimization, permeabilization, response surface methodology, yeast.

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Authors: K. Manikandan, T. Viruthagiri

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Studies on Simultaneous Saccharification and Fermentation (SSF) of corn flour, a major agricultural product as the substrate using starch digesting glucoamylase enzyme derived from Aspergillus niger and non starch digesting and sugar fermenting Saccharomyces cerevisiae in a batch fermentation. Experiments based on Central Composite Design (CCD) were conducted to study the effect of substrate concentration, pH, temperature, enzyme concentration on Ethanol Concentration and the above parameters were optimized using Response Surface Methodology (RSM). The optimum values of substrate concentration, pH, temperature and enzyme concentration were found to be 160 g/l, 5.5, 30°C and 50 IU respectively. The effect of inoculums age on ethanol concentration was also investigated. The corn flour solution equivalent to 16% initial starch concentration gave the highest ethanol concentration of 63.04 g/l after 48 h of fermentation at optimum conditions of pH and temperature. Monod model and Logistic model were used for growth kinetics and Leudeking – Piret model was used for product formation kinetics.

Keywords: Simultaneous Saccharification and Fermentation(SSF), Corn Starch, Ethanol, Logisitic Model.

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Authors: Gonzalo Rubio, Eusebio Valero, Sven Lanzan

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The design of a modern aircraft is based on three pillars: theoretical results, experimental test and computational simulations. As a results of this, Computational Fluid Dynamic (CFD) solvers are widely used in the aeronautical field. These solvers require the correct selection of many parameters in order to obtain successful results. Besides, the computational time spent in the simulation depends on the proper choice of these parameters. In this paper we create an expert system capable of making an accurate prediction of the number of iterations and time required for the convergence of a computational fluid dynamic (CFD) solver. Artificial neural network (ANN) has been used to design the expert system. It is shown that the developed expert system is capable of making an accurate prediction the number of iterations and time required for the convergence of a CFD solver.

Keywords: Artificial Neural Network, Computational Fluid Dynamics, Optimization

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Authors: Sungho Lee, Goonjae Lee, Chaeyeon Lim, Sunkuk Kim

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Foundation of tower crane serves to ensure stability against vertical and horizontal forces. If foundation stress is not sufficient, tower crane may be subject to overturning, shearing or foundation settlement. Therefore, engineering review of stable support is a highly critical part of foundation design. However, there are not many professionals who can conduct engineering review of tower crane foundation and, if any, they have information only on a small number of cranes in which they have hands-on experience. It is also customary to rely on empirical knowledge and tower crane renter-s recommendations rather than designing foundation on the basis of engineering knowledge. Therefore, a foundation design automation system considering not only lifting conditions but also overturning risk, shearing and vertical force may facilitate production of foolproof foundation design for experts and enable even non-experts to utilize professional knowledge that only experts can access now. This study proposes Automatic Design Algorithm for the Tower Crane Foundations considering load and horizontal force.

Keywords: Tower Crane, Automatic Design, Foundations, Optimization Algorithm, Stability

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Authors: Tuisem Shimrah

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One general agreement on climate change is that its causes may be local but the effects are global. Indigenous people are subscribed to “low-carbon” traditional ways of life and as such they have contributed little to causes of climate change. On the contrary they are the most adversely affected by climate change due to their dependence on surrounding rich biological wealth as a source of their livelihood, health care, entertainment and cultural activities This paper deals with the results of the investigation of various adaptation strategies adopted to combat climate change by traditional community. The result shows effective ways of application of traditional knowledge and wisdom applied by Tangkhul traditional community at local and community level in remote areas in Northeast India. Four adaptation measures are being presented in this paper.

Keywords: Climate change, adaptation, Tangkhul, traditional community, policy, Northeast India.

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Authors: Ethar H. Khalil, Bahaa I. Kazem

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In this work a software simulation model has been proposed for two driven wheels mobile robot path planning; that can navigate in dynamic environment with static distributed obstacles. The work involves utilizing Bezier curve method in a proposed N order matrix form; for engineering the mobile robot path. The Bezier curve drawbacks in this field have been diagnosed. Two directions: Up and Right function has been proposed; Probability Recursive Function (PRF) to overcome those drawbacks. PRF functionality has been developed through a proposed; obstacle detection function, optimization function which has the capability of prediction the optimum path without comparison between all feasible paths, and N order Bezier curve function that ensures the drawing of the obtained path. The simulation results that have been taken showed; the mobile robot travels successfully from starting point and reaching its goal point. All obstacles that are located in its way have been avoided. This navigation is being done successfully using the proposed PRF techniques.

Keywords: Mobile robot, path planning, Bezier curve.

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Authors: Chansopheak Seang, Afia David Kouadri, Eric Ragneau

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Three dimensional analysis of thermal model in laser full penetration welding, Nd:YAG, by transparent mode DP600 alloy steel 1.25mm of thickness and gap of 0.1mm. Three models studied the influence of thermal dependent temperature properties, thermal independent temperature and the effect of peak value of specific heat at phase transformation temperature, AC1, on the transient temperature. Another seven models studied the influence of discretization, meshes on the temperature distribution in weld plate. It is shown that for the effects of thermal properties, the errors less 4% of maximum temperature in FZ and HAZ have identified. The minimum value of discretization are at least one third increment per radius for temporal discretization and the spatial discretization requires two elements per radius and four elements through thickness of the assembled plate, which therefore represent the minimum requirements of modeling for the laser welding in order to get minimum errors less than 5% compared to the fine mesh.

Keywords: FEA, welding, discretization, ABAQUS user subroutine DFLUX

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Authors: Ingu Kim, Shangmun Shin, Yongsun Choi, Nguyen Manh Thang, Edwin R. Ramos, Won-Joo Hwang

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Project selection problems on management information system (MIS) are often considered a multi-criteria decision-making (MCDM) for a solving method. These problems contain two aspects, such as interdependencies among criteria and candidate projects and qualitative and quantitative factors of projects. However, most existing methods reported in literature consider these aspects separately even though these two aspects are simultaneously incorporated. For this reason, we proposed a hybrid method using analytic network process (ANP) and fuzzy logic in order to represent both aspects. We then propose a goal programming model to conduct an optimization for the project selection problems interpreted by a hybrid concept. Finally, a numerical example is conducted as verification purposes.

Keywords: Analytic Network Process (ANP), Multi-Criteria Decision-Making (MCDM), Fuzzy Logic, Information System Project Selection, Goal Programming.

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Authors: Yu T. Tsai, Jin H. Huang

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In this paper, the specific sound Transmission Loss (TL) of the Laminated Composite Plate (LCP) with different material properties in each layer is investigated. The numerical method to obtain the TL of the LCP is proposed by using elastic plate theory. The transfer matrix approach is novelty presented for computational efficiency in solving the numerous layers of dynamic stiffness matrix (D-matrix) of the LCP. Besides the numerical simulations for calculating the TL of the LCP, the material properties inverse method is presented for the design of a laminated composite plate analogous to a metallic plate with a specified TL. As a result, it demonstrates that the proposed computational algorithm exhibits high efficiency with a small number of iterations for achieving the goal. This method can be effectively employed to design and develop tailor-made materials for various applications.

Keywords: Sound transmission loss, laminated composite plate, transfer matrix approach, inverse problem, elastic plate theory, material properties.

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Authors: Marco Actis Grande, Somlak Wannarumon

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This paper proposes the numerical simulation of the investment casting of gold jewelry. It aims to study the behavior of fluid flow during mould filling and solidification and to optimize the process parameters, which lead to predict and control casting defects such as gas porosity and shrinkage porosity. A finite difference method, computer simulation software FLOW-3D was used to simulate the jewelry casting process. The simplified model was designed for both numerical simulation and real casting production. A set of sensor acquisitions were allocated on the different positions of the wax tree of the model to detect filling times, while a set of thermocouples were allocated to detect the temperature during casting and cooling. Those detected data were applied to validate the results of the numerical simulation to the results of the real casting. The resulting comparisons signify that the numerical simulation can be used as an effective tool in investment-casting-process optimization and casting-defect prediction.

Keywords: Computer fluid dynamic, Investment casting, Jewelry, Mould filling, Simulation.

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Authors: Marc C. Robini, Pierre-Jean Viverge, Yuemin Zhu, Jianhua Luo

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The standard approach to image reconstruction is to stabilize the problem by including an edge-preserving roughness penalty in addition to faithfulness to the data. However, this methodology produces noisy object boundaries and creates a staircase effect. The existing attempts to favor the formation of smooth contour lines take the edge field explicitly into account; they either are computationally expensive or produce disappointing results. In this paper, we propose to incorporate the smoothness of the edge field in an implicit way by means of an additional penalty term defined in the wavelet domain. We also derive an efficient half-quadratic algorithm to solve the resulting optimization problem, including the case when the data fidelity term is non-quadratic and the cost function is nonconvex. Numerical experiments show that our technique preserves edge sharpness while smoothing contour lines; it produces visually pleasing reconstructions which are quantitatively better than those obtained without wavelet-domain constraints.

Keywords:

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Authors: K.H. Yang

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After the terrorist attack on September 11, 2001 in U.S., the container security issue got high attention, especially by U.S. government, which deployed a lot of measures to promote or improve security systems. U.S. government not only enhances its national security system, but allies with other countries against the potential terrorist attacks in the future. For example CSI (Container Security Initiative), it encourages foreign ports outside U.S. to become CSI ports as a part of U.S. anti-terrorism network. Although promotion of the security could partly reach the goal of anti-terrorism, that will influence the efficiency of container supply chain, which is the main concern when implementing the inspection measurements. This paper proposes a quick estimation methodology for an inspection service rate by a berth allocation heuristic such that the inspection activities will not affect the original container supply chain. Theoretical and simulation results show this approach is effective.

Keywords: Berth allocation, Container, Heuristic, Inspection.

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Authors: Davide Pierattoni, Ivan Macor, Pier Luca Montessoro

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In the recent years multimedia traffic and in particular VoIP services are growing dramatically. We present a new algorithm to control the resource utilization and to optimize the voice codec selection during SIP call setup on behalf of the traffic condition estimated on the network path. The most suitable methodologies and the tools that perform realtime evaluation of the available bandwidth on a network path have been integrated with our proposed algorithm: this selects the best codec for a VoIP call in function of the instantaneous available bandwidth on the path. The algorithm does not require any explicit feedback from the network, and this makes it easily deployable over the Internet. We have also performed intensive tests on real network scenarios with a software prototype, verifying the algorithm efficiency with different network topologies and traffic patterns between two SIP PBXs. The promising results obtained during the experimental validation of the algorithm are now the basis for the extension towards a larger set of multimedia services and the integration of our methodology with existing PBX appliances.

Keywords: Integrated voice-data communication, computernetwork performance, resource optimization.

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Authors: D. Mirauda, M. Greco, P. Moscarelli

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The river flow forecasting represents a crucial point to employ for improving a management policy addressed to the right use of water resources as well as for conjugating prevention and defense actions against environmental degradation. The difficulties occurring during the field activities encourage the development and implementation of operative computation and measuring methods addressed to time reduction for data acquisition and processing maintaining a good level of accuracy. Therefore, the aim of the present work is to test a new entropy based expeditive methodology for the evaluation of the rating curves on three gauged sections with different geometric and morphological characteristics. The methodology requires the choice of only three verticals along the measure section and the sampling of only the maximum velocity. The results underline how in most conditions the rating curves drawn can replace those built with classic methodologies, simplifying thus the procedures of data monitoring and calculation.

Keywords: gauged station, entropic approach, expeditive methodology, rating curves.

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Authors: Ayse Gecer, Nihal Erginel

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Quality control is the crucial step for ISO 9001 Quality System Management Standard for companies. While measuring the quality level of both raw material and semi product/product, the calibration of the measuring device is an essential requirement. Calibration suppliers are in the service sector and therefore the calibration supplier selection is becoming a worthy topic for improving service quality. This study presents the results of a questionnaire about the selection criteria of a calibration supplier. The questionnaire was applied to 103 companies and the results are discussed in this paper. The analysis was made with MINITAB 14.0 statistical programs. “Competence of documentations" and “technical capability" are defined as the prerequisites because of the ISO/IEC17025:2005 standard. Also “warranties and complaint policy", “communication", “service features", “quality" and “performance history" are defined as very important criteria for calibration supplier selection.

Keywords: Calibration, criteria of calibration supplier selection, calibration supplier selection, questionnaire

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Authors: Nurul-Akidah M. Yusak, Rahmah Mohamed, Noor Zuhaira Abd Aziz

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The introduction of degradable plastic materials into agricultural sectors has represented a promising alternative to promote green agriculture and environmental friendly of modern farming practices. Major challenges of developing degradable agricultural films are to identify the most feasible types of degradation mechanisms, composition of degradable polymers and related processing techniques. The incorrect choice of degradable mechanisms to be applied during the degradation process will cause premature losses of mechanical performance and strength. In order to achieve controlled process of agricultural film degradation, the compositions of degradable agricultural film also important in order to stimulate degradation reaction at required interval of time and to achieve sustainability of the modern agricultural practices. A set of photodegradable polyethylene based agricultural film was developed and produced, following the selective optimization of processing parameters of the agricultural film manufacturing system. Example of agricultural films application for oil palm seedlings cultivation is presented.

Keywords: Photodegradable polyethylene, plasticulture, processing schemes.

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Authors: Shishir Kumar, Chhaya Gangwal, Seema Raj

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Public health informatics (PHI) which has seen successful implementation in the developed world, become the buzzword in the developing countries in providing improved healthcare with enhanced access. In rural areas especially, where a huge gap exists between demand and supply of healthcare facilities, PHI is being seen as a major solution. There are factors such as growing network infrastructure and the technological adoption by the health fraternity which provide support to these claims. Public health informatics has opportunities in healthcare by providing opportunities to diagnose patients, provide intra-operative assistance and consultation from a remote site. It also has certain barriers in the awareness, adaptation, network infrastructure, funding and policy related areas. There are certain medico-legal aspects involving all the stakeholders which need to be standardized to enable a working system. This paper aims to analyze the potential and challenges of Public health informatics services in rural communities.

Keywords: PHI, e-health, Public health.

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Authors: Sallama Athab, Hala Bahjat, Zhang Yinghui

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Background detection is essential in video analyses; optimization is often needed in order to achieve real time calculation. Information gathered by dual cameras placed in the front and rear part of an Autonomous Vehicle (AV) is integrated for background detection. In this paper, real time calculation is achieved on the proposed technique by using Priority Regions (PR) and Parallel Processing together where each frame is divided into regions then and each region process is processed in parallel. PR division depends upon driver view limitations. A background detection system is built on the Temporal Difference (TD) and Gaussian Filtering (GF). Temporal Difference and Gaussian Filtering with multi threshold and sigma (weight) value are be based on PR characteristics. The experiment result is prepared on real scene. Comparison of the speed and accuracy with traditional background detection techniques, the effectiveness of PR and parallel processing are also discussed in this paper.

Keywords: Autonomous Vehicle, Background Detection, Dual Camera, Gaussian Filtering, Parallel Processing.

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Authors: Bundit Pungnirund

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The purposes of this research were to develop and to monitor the antecedent factors which directly affected the success rate of new product development. This was a case study of the leather industry in Bangkok, Thailand. A total of 350 leather factories were used as a sample group. The findings revealed that the new product development model was harmonized with the empirical data at the acceptable level, the statistic values are: χ2=6.45, df= 7, p-value = .48856; RMSEA = .000; RMR = .0029; AGFI = .98; GFI = 1.00. The independent variable that directly influenced the dependent variable at the highest level was marketing outcome which had a influence coefficient at 0.32 and the independent variables that indirectly influenced the dependent variables at the highest level was a clear organization policy which had a influence coefficient at 0.17, whereas, all independent variables can predict the model at 48 percent.

Keywords: Antecedent, New Product Development, Leather Industry.

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Authors: Setareh Shekarsaraei, Marjan Moridi, Nasser L. Hadipour

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In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results has shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Keywords: Hydrogen bonding, Density Functional Theory (DFT), Natural bond Orbitals (NBO), cooperativity effects.

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Authors: Reinhard Neck, Guido Schäfer

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In this paper, we explore the macroeconomic effects of the European Single Market on Austria by simulating the McKibbin-Sachs Global Model. Global interdependences and the impact of long-run effects on short-run adjustments are taken into account. We study the sensitivity of the results with respect to different assumptions concerning monetary and fiscal policies for the countries and regions of the world economy. The consequences of different assumptions about budgetary policies in Austria are also investigated. The simulation results are contrasted with ex-post evaluations of the actual impact of Austria’s membership in the Single Market. As a result, it can be concluded that the Austrian participation in the European Single Market entails considerable long-run gains for the Austrian economy with nearly no adverse sideeffects on any macroeconomic target variable.

Keywords: Macroeconomics, European Union, simulation, sensitivity analysis.

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