Search results for: Density function

Authors: Hazem J. Smadi

Abstract:

FMEA has been used for several years and proved its efficiency for system’s risk analysis due to failures. Risk priority number found in FMEA is used to rank failure modes that may occur in a system. There are some guidelines in the literature to assign the values of FMEA components known as Severity, Occurrence and Detection. This paper propose a method to assign the value for occurrence in more realistic manner representing the state of the system under study rather than depending totally on the experience of the analyst. This method uses the hazard function of a system to determine the value of occurrence depending on the behavior of the hazard being constant, increasing or decreasing.

Keywords: FMEA, Hazard Function, Risk Priority Number.

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Authors: S. H. Yahaya, J. M. Ali, T.A. Abdullah

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The exploration of this paper will focus on the Cshaped transition curve. This curve is designed by using the concept of circle to circle where one circle lies inside other. The degree of smoothness employed is curvature continuity. The function used in designing the C-curve is Bézier-like cubic function. This function has a low degree, flexible for the interactive design of curves and surfaces and has a shape parameter. The shape parameter is used to control the C-shape curve. Once the C-shaped curve design is completed, this curve will be applied to design spur gear tooth. After the tooth design procedure is finished, the design will be analyzed by using Finite Element Analysis (FEA). This analysis is used to find out the applicability of the tooth design and the gear material that chosen. In this research, Cast Iron 4.5 % Carbon, ASTM A-48 is selected as a gear material.

Keywords: Bézier-like cubic function, Curvature continuity, Cshapedtransition curve, Spur gear tooth.

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Authors: Baghdasaryan Marinka

Abstract:

Monitoring the distribution of electric power consumption in the technological process of ore grinding is conducted. As a result, the impacts of the mill filling rate, the productivity of the ore supply, the volumetric density of the grinding balls, the specific density of the ground ore, and the relative speed of the mill rotation on the specific consumption of electric power have been studied. The power and technological factors affecting the reactive power generated by the synchronous motors, operating within the technological scheme are studied. A block diagram for evaluating the power consumption modes of the technological process is presented, which includes the analysis of the technological scheme, the determination of the place and volumetric density of the ore-grinding mill, the evaluation of the technological and power factors affecting the energy saving process, as well as the assessment of the electric power standards.

Keywords: Electric power standard, factor, ore grinding, power consumption, reactive power, technological.

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Authors: Nasrin Bakhshizadeh, Ashkan Forootan

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A major problem that affects the quality control of polymer in the industrial polymerization is the lack of suitable on-line measurement tools to evaluate the properties of the polymer such as melt and density indices. Controlling the polymerization in ordinary method is performed manually by taking samples, measuring the quality of polymer in the lab and registry of results. This method is highly time consuming and leads to producing large number of incompatible products. An online application for estimating melt index and density proposed in this study is a neural network based on the input-output data of the polyethylene production plant. Temperature, the level of reactors' bed, the intensity of ethylene mass flow, hydrogen and butene-1, the molar concentration of ethylene, hydrogen and butene-1 are used for the process to establish the neural model. The neural network is taught based on the actual operational data and back-propagation and Levenberg-Marquart techniques. The simulated results indicate that the neural network process model established with three layers (one hidden layer) for forecasting the density and the four layers for the melt index is able to successfully predict those quality properties.

Keywords: Polyethylene, polymerization, density, melt index, neural network.

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Authors: Zeitoun D. G., Thierry Dana-Picard

Abstract:

The study of a real function of two real variables can be supported by visualization using a Computer Algebra System (CAS). One type of constraints of the system is due to the algorithms implemented, yielding continuous approximations of the given function by interpolation. This often masks discontinuities of the function and can provide strange plots, not compatible with the mathematics. In recent years, point based geometry has gained increasing attention as an alternative surface representation, both for efficient rendering and for flexible geometry processing of complex surfaces. In this paper we present different artifacts created by mesh surfaces near discontinuities and propose a point based method that controls and reduces these artifacts. A least squares penalty method for an automatic generation of the mesh that controls the behavior of the chosen function is presented. The special feature of this method is the ability to improve the accuracy of the surface visualization near a set of interior points where the function may be discontinuous. The present method is formulated as a minimax problem and the non uniform mesh is generated using an iterative algorithm. Results show that for large poorly conditioned matrices, the new algorithm gives more accurate results than the classical preconditioned conjugate algorithm.

Keywords: Function singularities, mesh generation, point allocation, visualization, collocation least squares method, Augmented Lagrangian method, Uzawa's Algorithm, Preconditioned Conjugate Gradien

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Authors: S. Malathi, P. Seenuvasakumaran

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Nanomaterials ferrites have applications in making permanent magnets, high density information devices, color imaging etc. In the present examination, lithium ferrite is synthesized by sol-gel process. The x-ray diffraction (XRD) result shows that the structure of lithium ferrite is monoclinic structure. The average particle size 22 nm is calculated by Scherer formula. The lattice parameters and dislocation density (δ) are calculated from XRD data. Strain (ε) values are evaluated from Williamson – hall plot. The FT-IR study reveals the formation of ferrites showing the significant absorption bands. The VU-VIS spectroscopic data is used to calculate direct and indirect optical band gap (Eg) of 1.57eV and 1.01eV respectively for lithium ferrite by using Tauc plot at the edge of the absorption band. The energy dispersive x-ray analysis spectra showed that the expected elements exist in the material. The magnetic behaviour of the materials studied using vibrating sample magnetometer (VSM).

Keywords: Sol-gel, dislocation density, energy band gap, VSM.

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Authors: J. M. Owoyemi, O. S. Ogunrinde

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The suitability of Newsprint and Kraft papers for the production of cement bonded ceiling board was investigated. Sample boards were produced from newsprint paper (100%), mixture of newsprint and Kraft paper (50:50) and Kraft paper (100%) at 1:1, 2:1 and 3:1 cement/paper mixing ratio respectively with 3% additive concentration of calcium chloride (CaCl₂). Density, flexural and thickness swelling properties of the boards were investigated. The effects of paper type and mixing ratio on the physical and mechanical properties were also examined. The bending properties of the board which include Modulus of Elasticity (MOE) and Modulus of Rupture (MOR) increased linearly with increase in density. Modulus of rupture of boards increased as the density and mixing ratio increased. The thickness swelling property for the two paper types decreased as the board density and mixing ratio increased. Boards made from Kraft paper recorded higher strength values than the ones made from recycled newsprint paper while the mixture of kraft and newsprint papers had the best surface finish. The result of the study will help in managing the large quality of waste from paper converting/carton industry and that the ceiling boards produced could be installed with clout nails or used with suspended ceiling fittings.

Keywords: Cement, Kraft paper, Mixing ratio, Newsprint.

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Authors: Myung-Gon Yoon, Jung-Ho Moon, Tae Kwon Ha

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This paper studies a robust stabilization problem of a single agent in a multi-agent consensus system composed of identical agents, when the network topology of the system is completely unknown. It is shown that the transfer function of an agent in a consensus system can be described as a multiplicative perturbation of the isolated agent transfer function in frequency domain. From an existing robust stabilization result, we present sufficient conditions for a robust stabilization of an agent against unknown network topology.

Keywords: Multi-agent System, Robust Stabilization, Transfer Function.

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Authors: M. R. Aghaebrahimi, S. H. Zahiri, M. Amiri

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The necessity of solving multi dimensional complicated scientific problems beside the necessity of several objective functions optimization are the most motive reason of born of artificial intelligence and heuristic methods. In this paper, we introduce a new method for multiobjective optimization based on learning automata. In the proposed method, search space divides into separate hyper-cubes and each cube is considered as an action. After gathering of all objective functions with separate weights, the cumulative function is considered as the fitness function. By the application of all the cubes to the cumulative function, we calculate the amount of amplification of each action and the algorithm continues its way to find the best solutions. In this Method, a lateral memory is used to gather the significant points of each iteration of the algorithm. Finally, by considering the domination factor, pareto front is estimated. Results of several experiments show the effectiveness of this method in comparison with genetic algorithm based method.

Keywords: Function optimization, Multiobjective optimization, Learning automata.

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Authors: Mohammad Reza Ghasemi, Amin Ghorbani

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The main goal of the present work is to decrease the computational burden for optimum design of steel frames with frequency constraints using a new type of neural networks called Wavelet Neural Network. It is contested to train a suitable neural network for frequency approximation work as the analysis program. The combination of wavelet theory and Neural Networks (NN) has lead to the development of wavelet neural networks. Wavelet neural networks are feed-forward networks using wavelet as activation function. Wavelets are mathematical functions within suitable inner parameters, which help them to approximate arbitrary functions. WNN was used to predict the frequency of the structures. In WNN a RAtional function with Second order Poles (RASP) wavelet was used as a transfer function. It is shown that the convergence speed was faster than other neural networks. Also comparisons of WNN with the embedded Artificial Neural Network (ANN) and with approximate techniques and also with analytical solutions are available in the literature.

Keywords: Weight Minimization, Frequency Constraints, Steel Frames, ANN, WNN, RASP Function.

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Authors: Arkady Bolotin

Abstract:

One-way functions are functions that are easy to compute but hard to invert. Their existence is an open conjecture; it would imply the existence of intractable problems (i.e. NP-problems which are not in the P complexity class). If true, the existence of one-way functions would have an impact on the theoretical framework of physics, in particularly, quantum mechanics. Such aspect of one-way functions has never been shown before. In the present work, we put forward the following. We can calculate the microscopic state (say, the particle spin in the z direction) of a macroscopic system (a measuring apparatus registering the particle z-spin) by the system macroscopic state (the apparatus output); let us call this association the function F. The question is: can we compute the function F in the inverse direction? In other words, can we compute the macroscopic state of the system through its microscopic state (the preimage F -1)? In the paper, we assume that the function F is a one-way function. The assumption implies that at the macroscopic level the Schrödinger equation becomes unfeasible to compute. This unfeasibility plays a role of limit of the validity of the linear Schrödinger equation.

Keywords: One-way functions, P versus NP problem, quantummeasurements.

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Authors: R. Dangtungee, A. Rattanapan, S. Siengchin

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Waste silicon carbide (waste SiC) filled high-density polyethylene (HDPE) with and without surface modifiers were studied. Two types of surface modifiers namely; high-density polyethylene-grafted-maleic anhydride (HDPE-g-MA) and 3-aminopropyltriethoxysilane have been used in this study. The composites were produced using a two roll mill, extruder and shaped in a hydraulic compression molding machine. The mechanical properties of polymer composites such as flexural strength and modulus, impact strength, tensile strength, stiffness and hardness were investigated over a range of compositions. It was found that, flexural strength and modulus, tensile modulus and hardness increased, whereas impact strength and tensile strength decreased with the increasing in filler contents, compared to the neat HDPE. At similar filler content, the effect of both surface modifiers increased flexural modulus, impact strength, tensile strength and stiffness but reduced the flexural strength. Morphological investigation using SEM revealed that the improvement in mechanical properties was due to enhancement of the interfacial adhesion between waste SiC and HDPE.

Keywords: High-density polyethylene, HDPE-g-MA, mechanical properties, morphological properties, silicon carbide, waste silicon carbide.

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Authors: A. Abedian, M. H. Ghiasi, B. Dehghan-Manshadi

Abstract:

A stiffened laminated composite panel (1 m length × 0.5m width) was optimized for minimum weight and deflection under several constraints using genetic algorithm. Here, a significant study on the performance of a penalty function with two kinds of static and dynamic penalty factors was conducted. The results have shown that linear dynamic penalty factors are more effective than the static ones. Also, a specially combined linear-exponential function has shown to perform more effective than the previously mentioned penalty functions. This was then resulted in the less sensitivity of the GA to the amount of penalty factor.

Keywords: Genetic algorithms, penalty function, stiffenedcomposite panel, finite element method.

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Authors: Omid Mirmotahari, Yngvar Berg, Ahmad Habibizad Navin

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Reversible logic is becoming more and more prominent as the technology sets higher demands on heat, power, scaling and stability. Reversible gates are able at any time to "undo" the current step or function. Multiple-valued logic has the advantage of transporting and evaluating higher bits each clock cycle than binary. Moreover, we demonstrate in this paper, combining these disciplines we can construct powerful multiple-valued reversible logic structures. In this paper a reversible block implemented by pseudo floatinggate can perform AD-function and a DA-function as its reverse application.

Keywords: Reversible logic, bi-directional, Pseudo floating-gate(PFG), multiple-valued logic (MVL).

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Authors: Nora Taghavi, Ali Sadr

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System identification is the process of creating models of dynamic process from input- output signals. The aim of system identification can be identified as “ to find a model with adjustable parameters and then to adjust them so that the predicted output matches the measured output". This paper presents a method of modeling and simulating with system identification to achieve the maximum fitness for transformation function. First by using optimized KLM equivalent circuit for PVDF piezoelectric transducer and assuming different inputs including: sinuside, step and sum of sinusides, get the outputs, then by using system identification toolbox in MATLAB, we estimate the transformation function from inputs and outputs resulted in last program. Then compare the fitness of transformation function resulted from using ARX,OE(Output- Error) and BJ(Box-Jenkins) models in system identification toolbox and primary transformation function form KLM equivalent circuit.

Keywords: PVDF modeling, ARX, BJ(Box-Jenkins), OE(Output-Error), System Identification.

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Authors: Flora E. Firdaus

Abstract:

Polyurethane foam (PUF) is formed by a chemical reaction of polyol and isocyanate. The aim is to understand the impact of Silicone on synthesizing polyurethane in differentiate volume of molding. The method used was one step process, which is simultaneously caried out a blending polyol (petroleum polyol and soybean polyol), a TDI (2,4):MDI (4,4-) (80:20), a distilled water, and a silicone. The properties of the material were measured via a number of parameters, which are polymer density, compressive strength, and cellular structures. It is found that density of polyurethane using silicone with volume of molding either 250 ml or 500 ml is lower than without using silicone.

Keywords: soybean, petro, silicone, polyurethane

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Authors: Bhanu Gupta

Abstract:

In this paper, the criteria of Ψ-eventual stability have been established for generalized impulsive differential systems of multiple dependent variables. The sufficient conditions have been obtained using piecewise continuous Lyapunov function. An example is given to support our theoretical result.

Keywords: impulsive differential equations, Lyapunov function, eventual stability

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Authors: Ihsan Al-Abboodi, Tahsin Toma-Sabbagh

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Laboratory tests have been carried out to investigate the response of 2x2 pile group subjected to triangular soil movement. The pile group was instrumented with displacement and tilting devices at the pile cap and strain gauges on two piles of the group. In this paper, results from four model tests were presented to study the effects of axial loads and soil density on the lateral behavior of piles. The responses in terms of bending moment, shear force, soil pressure, deflection, and rotation of piles were compared. Test results indicate that increasing the soil strength could increase the measured moment, shear, soil pressure, and pile deformations. Most importantly, adding loads to the pile cap induces additional moment to the head of front-pile row unlike the back-pile row which was influenced insignificantly.

Keywords: Pile group, passive piles, lateral soil movement, soil density, axial loads.

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Authors: S.Solaymani, T.Ghodselahi, N.B.Nezafat, H.Zahrabi, A.Gelali

Abstract:

The morphological parameter of a thin film surface can be characterized by power spectral density (PSD) functions which provides a better description to the topography than the RMS roughness and imparts several useful information of the surface including fractal and superstructure contributions. Through the present study Nanoparticle copper/carbon composite films were prepared by co-deposition of RF-Sputtering and RF-PECVD method from acetylene gas and copper target. Surface morphology of thin films is characterized by using atomic force microscopy (AFM). The Carbon content of our films was obtained by Rutherford Back Scattering (RBS) and it varied from .4% to 78%. The power values of power spectral density (PSD) for the AFM data were determined by the fast Fourier transform (FFT) algorithms. We investigate the effect of carbon on the roughness of thin films surface. Using such information, roughness contributions of the surface have been successfully extracted.

Keywords: Atomic force microscopy, Fast Fourier transform, Power spectral density, RBS.

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Authors: Ioannis Neokosmidis, Nikos Gkekas, Thomas Kamalakis, Thomas Sphicopoulos

Abstract:

In high powered dense wavelength division multiplexed (WDM) systems with low chromatic dispersion, four-wave mixing (FWM) can prove to be a major source of noise. The MultiCanonical Monte Carlo Method (MCMC) and the Split Step Fourier Method (SSFM) are combined to accurately evaluate the probability density function of the decision variable of a receiver, limited by FWM. The combination of the two methods leads to more accurate results, and offers the possibility of adding other optical noises such as the Amplified Spontaneous Emission (ASE) noise.

Keywords: Monte Carlo, Nonlinear optics, optical crosstalk, Wavelength-division Multiplexing (WDM).

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Authors: Guangpu Chen

Abstract:

When the failure function is monotone, some monotonic reliability methods are used to gratefully simplify and facilitate the reliability computations. However, these methods often work in a transformed iso-probabilistic space. To this end, a monotonic simulator or transformation is needed in order that the transformed failure function is still monotone. This note proves at first that the output distribution of failure function is invariant under the transformation. And then it presents some conditions under which the transformed function is still monotone in the newly obtained space. These concern the copulas and the dependence concepts. In many engineering applications, the Gaussian copulas are often used to approximate the real word copulas while the available information on the random variables is limited to the set of marginal distributions and the covariances. So this note catches an importance on the conditional monotonicity of the often used transformation from an independent random vector into a dependent random vector with Gaussian copulas.

Keywords: Monotonic, Rosenblatt, Nataf transformation, dependence concepts, completely positive matrices, Gaussiancopulas

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Authors: Edward Aris D. Fajardo, Hamdi Muhyuddin D. Barra

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This study employs the use of the fourth order Numerov scheme to determine the eigenstates and eigenvalues of particles, electrons in particular, in single and double delta function potentials. For the single delta potential, it is found that the eigenstates could only be attained by using specific potential depths. The depth of the delta potential well has a value that varies depending on the delta strength. These depths are used for each well on the double delta function potential and the eigenvalues are determined. There are two bound states found in the computation, one with a symmetric eigenstate and another one which is antisymmetric.

Keywords: Double Delta Potential, Eigenstates, Eigenvalue, Numerov Method, Single Delta Potential

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Authors: Nuseiba M. Altarawneh, Suhuai Luo, Brian Regan, Guijin Tang

Abstract:

Liver segmentation from medical images poses more challenges than analogous segmentations of other organs. This contribution introduces a liver segmentation method from a series of computer tomography images. Overall, we present a novel method for segmenting liver by coupling density matching with shape priors. Density matching signifies a tracking method which operates via maximizing the Bhattacharyya similarity measure between the photometric distribution from an estimated image region and a model photometric distribution. Density matching controls the direction of the evolution process and slows down the evolving contour in regions with weak edges. The shape prior improves the robustness of density matching and discourages the evolving contour from exceeding liver’s boundaries at regions with weak boundaries. The model is implemented using a modified distance regularized level set (DRLS) model. The experimental results show that the method achieves a satisfactory result. By comparing with the original DRLS model, it is evident that the proposed model herein is more effective in addressing the over segmentation problem. Finally, we gauge our performance of our model against matrices comprising of accuracy, sensitivity, and specificity.

Keywords: Bhattacharyya distance, distance regularized level set (DRLS) model, liver segmentation, level set method.

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Authors: M. S. Gaafar, S. Y. Marzouk, I. S. Mahmoud, S. Al-Zobaidi

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Makishima and Mackenzie model was used to simulation of acoustic properties (longitudinal and shear ultrasonic wave velocities, elastic moduli theoretically for many tellurite and borate glasses. The model was proposed mainly depending on the values of the experimentally measured density, which are obtained before. In this search work, we are trying to obtain the values of densities of amorphous glasses (as the density depends on the geometry of the network structure of these glasses). In addition, the problem of simulating the slope of linear regression between the experimentally determined bulk modulus and the product of packing density and experimental Young's modulus, were solved in this search work. The results showed good agreement between the experimentally measured values of densities and both ultrasonic wave velocities, and those theoretically determined.

Keywords: Glasses, ultrasonic wave velocities, elastic moduli, Makishima and Mackenzie model.

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Authors: Li Ni, Pen ManMan, Li KenLi

Abstract:

Clustering is an intensive research for some years because of its multifaceted applications, such as biology, information retrieval, medicine, business and so on. The expectation maximization (EM) is a kind of algorithm framework in clustering methods, one of the ten algorithms of machine learning. Traditionally, optimization of objective function has been the standard approach in EM. Hence, research has investigated the utility of evolutionary computing and related techniques in the regard. Chemical Reaction Optimization (CRO) is a recently established method. So the property embedded in CRO is used to solve optimization problems. This paper presents an algorithm framework (EM-CRO) with modified CRO operators based on EM cluster problems. The hybrid algorithm is mainly to solve the problem of initial value sensitivity of the objective function optimization clustering algorithm. Our experiments mainly take the EM classic algorithm:k-means and fuzzy k-means as an example, through the CRO algorithm to optimize its initial value, get K-means-CRO and FKM-CRO algorithm. The experimental results of them show that there is improved efficiency for solving objective function optimization clustering problems.

Keywords: Chemical reaction optimization, expectation maximization, initial, objective function clustering.

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Authors: Jasna Prester, Ivana Rašić Bakarić, Božidar Matijević

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Innovations not only contribute to competitiveness of the company but have also positive effects on revenues. On average, product innovations account to 14 percent of companies’ sales. Innovation management has substantially changed during the last decade, because of growing reliance on external partners. As a consequence, a new task for purchasing arises, as firms need to understand which suppliers actually do have high potential contributing to the innovativeness of the firm and which do not. Proper organization of the purchasing function is important since for the majority of manufacturing companies deal with substantial material costs which pass through the purchasing function. In the past the purchasing function was largely seen as a transaction-oriented, clerical function but today purchasing is the intermediate with supply chain partners contributing to innovations, be it product or process innovations. Therefore, purchasing function has to be organized differently to enable firm innovation potential. However, innovations are inherently risky. There are behavioral risk (that some partner will take advantage of the other party), technological risk in terms of complexity of products and processes of manufacturing and incoming materials and finally market risks, which in fact judge the value of the innovation. These risks are investigated in this work. Specifically, technological risks which deal with complexity of the products, and processes will be investigated more thoroughly. Buying components or such high edge technologies necessities careful investigation of technical features and therefore is usually conducted by a team of experts. Therefore it is hypothesized that higher the technological risk, higher will be the centralization of the purchasing function as an interface with other supply chain members. Main contribution of this research lies is in the fact that analysis was performed on a large data set of 1493 companies, from 25 countries collected in the GMRG 4 survey. Most analyses of purchasing function are done by case study analysis of innovative firms. Therefore this study contributes with empirical evaluations that can be generalized.

Keywords: Purchasing function organization, innovation, technological risk, GMRG 4 survey.

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Authors: Ahmad Seif, Karim Zare, Asadallah Boshra, Mehran Aghaie

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Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were carried out on the geometrically optimized model. The evaluated nuclear quadrupole coupling constants and asymmetry parameters for the mentioned nuclei reveal that the model can be divided into seven layers of nuclei with an equivalent electrostatic environment where those nuclei at the ends of tubes have a very strong electrostatic environment compared to the other nuclei along the length of tubes. The calculations were performed via Gaussian 98 package of program.

Keywords: Armchair Nanotube, Density Functional Theory, Nuclear Quadrupole Resonance.

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Authors: D. K. Lee, S. M. Shin, J. H. Lee

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Topology optimization technique utilizes constant element densities as design parameters. Finally, optimal distribution contours of the material densities between voids (0) and solids (1) in design domain represent the determination of topology. It means that regions with element density values become occupied by solids in design domain, while there are only void phases in regions where no density values exist. Therefore the void regions of topology optimization results provide design information to decide appropriate depositions of web-opening in structure. Contrary to the basic objective of the topology optimization technique which is to obtain optimal topology of structures, this present study proposes a new idea that topology optimization results can be also utilized for decision of proper web-opening’s position. Numerical examples of linear elastostatic structures demonstrate efficiency of methodological design processes using topology optimization in order to determinate the proper deposition of web-openings.

Keywords: Topology optimization, web-opening, structure, element density, material.

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Authors: D. Toghraie, A. R. Azimian

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In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density of the liquids near the solid walls fluctuated greatly and that the structure was more like a solid than a liquid. This indicates that the interactions of solid and liquid molecules are very strong. The resultant surface tension, liquid density and vapor density are found to be well predicted when compared with the experimental data for argon. Liquid and vapor densities were found to depend on the cutoff radius which induces the use of P3M (particle-particle particle-mesh) method which was implemented for evaluation of force and surface tension.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD).

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Authors: A. Selmi, A. Bisharat

Abstract:

Using Fourier transform and based on the Mindlin's 2^nd gradient model that involves two length scale parameters, the Green's function, the Eshelby tensor, and the Eshelby-like tensor for a spherical inclusion are derived. It is proved that the Eshelby tensor consists of two parts; the classical Eshelby tensor and a gradient part including the length scale parameters which enable the interpretation of the size effect. When the strain gradient is not taken into account, the obtained Green's function and Eshelby tensor reduce to its analogue based on the classical elasticity. The Eshelby tensor in and outside the inclusion, the volume average of the gradient part and the Eshelby-like tensor are explicitly obtained. Unlike the classical Eshelby tensor, the results show that the components of the new Eshelby tensor vary with the position and the inclusion dimensions. It is demonstrated that the contribution of the gradient part should not be neglected.

Keywords: Eshelby tensor, Eshelby-like tensor, Green’s function, Mindlin’s 2nd gradient model, Spherical inclusion.

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