Search results for: Velocity model.

Authors: Ahmad Saiful Azlin Puteh Salin, Norlela Kamaludin, Siti Khadijah Ab Manan, Mohd Shatari Abdul Ghafar

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This paper discusses a new model of Islamic code of ethics for directors. Several corporate scandals and local (example Transmile and Megan Media) and overseas corporate (example Parmalat and Enron) collapses show that the current corporate governance and regulatory reform are unable to prevent these events from recurring. Arguably, the code of ethics for directors is under research and the current code of ethics only concentrates on binding the work of the employee of the organization as a whole, without specifically putting direct attention to the directors, the group of people responsible for the performance of the company. This study used a semi-structured interview survey of well-known Islamic scholars such as the Mufti to develop the model. It is expected that the outcome of the research is a comprehensive model of code of ethics based on the Islamic principles that can be applied and used by the company to construct a code of ethics for their directors.

Keywords: Code of ethics, director, Islam, ethics

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Authors: Naushad Mamode Khan, Cheika Jahangeer, Maleika Heenaye-Mamode Khan

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Breastfeeding is an important concept in the maternal life of a woman. In this paper, we focus on exclusive breastfeeding. Exclusive breastfeeding is the feeding of a baby on no other milk apart from breast milk. This type of breastfeeding is very important during the first six months because it supports optimal growth and development during infancy and reduces the risk of obliterating diseases and problems. Moreover, in Mauritius, exclusive breastfeeding has decreased the incidence and/or severity of diarrhea, lower respiratory infection and urinary tract infection. In this paper, we give an overview of exclusive breastfeeding in Mauritius and the factors influencing it. We further analyze the local practices of exclusive breastfeeding using the Generalized Poisson regression model and the negative-binomial model since the data are over-dispersed.

Keywords: Exclusive breast feeding, regression model, generalized poisson, negative binomial.

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Authors: Davide Fuscà, Kanan Rahimli, Roberto Leuzzi

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Prevent abuse and illegal activities in a given area of the sea is a very difficult and expensive task. Artificial intelligence offers the possibility to implement new methods to identify the vessel class type from the kinematic features of the vessel itself. The task strictly depends on the quality of the data. This paper explores the application of a deep Long Short-Term Memory model by using AIS flow only with a relatively low quality. The proposed model reaches high accuracy on detecting nine vessel classes representing the most common vessel types in the Ionian-Adriatic Sea. The model has been applied during the Adriatic-Ionian trial period of the international EU ANDROMEDA H2020 project to identify vessels performing behaviours far from the expected one, depending on the declared type.

Keywords: maritime surveillance, artificial intelligence, behaviour analysis, LSTM

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Authors: Rabah Haoui

Abstract:

The aim of this work is to analyze a viscous flow in the axisymmetric nozzle taken into account the mesh size both in the free stream and into the boundary layer. The resolution of the Navier- Stokes equations is realized by using the finite volume method to determine the supersonic flow parameters at the exit of convergingdiverging nozzle. The numerical technique uses the Flux Vector Splitting method of Van Leer. Here, adequate time stepping parameter, along with CFL coefficient and mesh size level is selected to ensure numerical convergence. The effect of the boundary layer thickness is significant at the exit of the nozzle. The best solution is obtained with using a very fine grid, especially near the wall, where we have a strong variation of velocity, temperature and shear stress. This study enabled us to confirm that the determination of boundary layer thickness can be obtained only if the size of the mesh is lower than a certain value limits given by our calculations.

Keywords: Supersonic flow, viscous flow, finite volume, nozzle

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Authors: A.R.M. Kasim, N.F. Mohammad, Aurangzaib, S. Sharidan

Abstract:

The present paper considers the steady free convection boundary layer flow of a viscoelastic fluid on solid sphere with Newtonian heating. The boundary layer equations are an order higher than those for the Newtonian (viscous) fluid and the adherence boundary conditions are insufficient to determine the solution of these equations completely. Thus, the augmentation an extra boundary condition is needed to perform the numerical computational. The governing boundary layer equations are first transformed into non-dimensional form by using special dimensionless group and then solved by using an implicit finite difference scheme. The results are displayed graphically to illustrate the influence of viscoelastic K and Prandtl Number Pr parameters on skin friction, heat transfer, velocity profiles and temperature profiles. Present results are compared with the published papers and are found to concur very well.

Keywords: boundary layer flow, Newtonian heating, sphere, viscoelastic fluid.

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Authors: Xiaoshu Lu, Esa-Pekka Takala, Risto Toivonen

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This paper systematically investigates the timedependent health outcomes for office staff during computer work using the developed mathematical model. The model describes timedependent health outcomes in multiple body regions associated with computer usage. The association is explicitly presented with a doseresponse relationship which is parametrized by body region parameters. Using the developed model we perform extensive investigations of the health outcomes statically and dynamically. We compare the risk body regions and provide various severity rankings of the discomfort rate changes with respect to computer-related workload dynamically for the study population. Application of the developed model reveals a wide range of findings. Such broad spectrum of investigations in a single report literature is lacking. Based upon the model analysis, it is discovered that the highest average severity level of the discomfort exists in neck, shoulder, eyes, shoulder joint/upper arm, upper back, low back and head etc. The biggest weekly changes of discomfort rates are in eyes, neck, head, shoulder, shoulder joint/upper arm and upper back etc. The fastest discomfort rate is found in neck, followed by shoulder, eyes, head, shoulder joint/upper arm and upper back etc. Most of our findings are consistent with the literature, which demonstrates that the developed model and results are applicable and valuable and can be utilized to assess correlation between the amount of computer-related workload and health risk.

Keywords: Computer-related workload, health outcomes, dynamic association, dose-response relationship, systematic analysis.

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Authors: Sokjoon Lee, Howon Kim, Kyoil Chung

Abstract:

RFID system, in which we give identification number to each item and detect it with radio frequency, supports more variable service than barcode system can do. For example, a refrigerator with RFID reader and internet connection will automatically notify expiration of food validity to us. But, in spite of its convenience, RFID system has some security threats, because anybody can get ID information of item easily. One of most critical threats is privacy invasion. Existing privacy protection schemes or systems have been proposed, and these schemes or systems defend normal users from attempts that any attacker tries to get information using RFID tag value. But, these systems still have weakness that attacker can get information using analogous value instead of original tag value. In this paper, we mention this type of attack more precisely and suggest 'Tag Broker Model', which can defend it. Tag broker in this model translates original tag value to random value, and user can only get random value. Attacker can not use analogous tag value, because he/she is not able to know original one from it.

Keywords: Broker, EPC, Privacy, RFID.

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Authors: Irfan Rafique, Philip Lew, Maissom Qanber Abbasi, Zhang Li

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The world wide web coupled with the ever-increasing sophistication of online technologies and software applications puts greater emphasis on the need of even more sophisticated and consistent quality requirements modeling than traditional software applications. Web sites and Web applications (WebApps) are becoming more information driven and content-oriented raising the concern about their information quality (InQ). The consistent and consolidated modeling of InQ requirements for WebApps at different stages of the life cycle still poses a challenge. This paper proposes an approach to specify InQ requirements for WebApps by reusing and extending the ISO 25012:2008(E) data quality model. We also discuss learnability aspect of information quality for the WebApps. The proposed ISO 25012 based InQ framework is a step towards a standardized approach to evaluate WebApps InQ.

Keywords: Data Quality Model, Information learnability, Information Quality, Web applications.

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Authors: Liangliang Tang, Chang Xu, Xingying Chen

Abstract:

GaInAsSb cells probably show better performance than GaSb cells in low-temperature thermophotovoltaic systems due to lower bandgap; however, few experiments proved this phenomenon so far. In this paper, numerical simulation is used to evaluate GaInAsSb and GaSb cells with similar structures under different radiation temperatures. We found that GaInAsSb cells with n-type emitters show slightly higher output power densities compared with that of GaSb cells with n-type emitters below 1,550 K-blackbody radiation, and the power density of the later cells will suppress the formers above this temperature point. During the temperature range of 1,000~2,000 K, the efficiencies of GaSb cells are about twice of GaInAsSb cells if perfect filters are used to prevent the emission of the non-absorbed long wavelength photons. Several parameters that affect the GaInAsSb cell were analyzed, such as doping profiles, thicknesses of GaInAsSb epitaxial layer and surface recombination velocity. The non-p junctions, i.e., n-type emitters are better for GaInAsSb cell fabrication, which is similar to that of GaSb cells.

Keywords: Thermophotovoltaic cell, GaSb, GaInAsSb, diffused emitters.

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Authors: M. Y. Ismail, M. Inam, A. F. M. Zain, N. Misran

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Progressive phase distribution is an important consideration in reflectarray antenna design which is required to form a planar wave in front of the reflectarray aperture. This paper presents a detailed mathematical model in order to determine the required reflection phase values from individual element of a reflectarray designed in Ku-band frequency range. The proposed technique of obtaining reflection phase can be applied for any geometrical design of elements and is independent of number of array elements. Moreover the model also deals with the solution of reflectarray antenna design with both centre and off-set feed configurations. The theoretical modeling has also been implemented for reflectarrays constructed on 0.508mm thickness of different dielectric substrates. The results show an increase in the slope of the phase curve from 4.61°/mm to 22.35°/mm by varying the material properties.

Keywords: Mathematical modeling, Progressive phase distribution, Reflectarray antenna, Reflection phase.

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Authors: Wanhyun Cho, Soonja Kang, Sangkyoon Kim, Soonyoung Park

Abstract:

In this paper, we propose the variational EM inference algorithm for the multi-class Gaussian process classification model that can be used in the field of human behavior recognition. This algorithm can drive simultaneously both a posterior distribution of a latent function and estimators of hyper-parameters in a Gaussian process classification model with multiclass. Our algorithm is based on the Laplace approximation (LA) technique and variational EM framework. This is performed in two steps: called expectation and maximization steps. First, in the expectation step, using the Bayesian formula and LA technique, we derive approximately the posterior distribution of the latent function indicating the possibility that each observation belongs to a certain class in the Gaussian process classification model. Second, in the maximization step, using a derived posterior distribution of latent function, we compute the maximum likelihood estimator for hyper-parameters of a covariance matrix necessary to define prior distribution for latent function. These two steps iteratively repeat until a convergence condition satisfies. Moreover, we apply the proposed algorithm with human action classification problem using a public database, namely, the KTH human action data set. Experimental results reveal that the proposed algorithm shows good performance on this data set.

Keywords: Bayesian rule, Gaussian process classification model with multiclass, Gaussian process prior, human action classification, laplace approximation, variational EM algorithm.

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Authors: M. Palizvan, M. T. Abadi, M. H. Sadr

Abstract:

Due to variations in damage mechanisms in the microscale, the behavior of fiber-reinforced composites is nonlinear and difficult to model. To make use of computational advantages, homogenization method is applied to the micro-scale model in order to minimize the cost at the expense of detail of local microscale phenomena. In this paper, the effective stiffness is calculated using the homogenization of nonlinear behavior of a composite representative volume element (RVE) containing fiber-matrix debonding. The damage modes for the RVE are considered by using cohesive elements and contacts for the cohesive behavior of the interface between fiber and matrix. To predict more realistic responses of composite materials, different random distributions of fibers are proposed besides square and hexagonal arrays. It was shown that in some cases, there is quite different damage behavior in different fiber distributions. A comprehensive comparison has been made between different graphs.

Keywords: Homogenization, cohesive zone model, fiber-matrix debonding, RVE.

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Authors: Sharon S. Wu, Yong S. Park

Abstract:

This project aims to study and evaluate the motorcycle crash bar, which is used to reduce injuries caused by side impacts to the motorcycle, and then develop an improved design using the engineering design process theory based on the current benchmark crash bar in order to lower the severity of motorcycle crash injuries. For this purpose, simulations for the crash bar are set up so that it travels at an angle towards a fixed concrete wall and collides at certain velocities. 3D CAD models are first designed in SolidWorks and dynamic crash simulations are then carried out using ANSYS to determine the lowest maximum Von-Mises stress over time and deformations by adjusting the parameters used in manufacturing the crash bar, including the velocity of the crash, material used, geometries with various radius fillets, and different thicknesses for the bar. The results of the simulation are used to determine the optimum parameters for a safer crash bar to withstand higher stress and deformation. Specifically, the von-Mises stress was reduced by at least 75% compared with the benchmark design by choosing aluminum alloy and a true unibar design.

Keywords: Crash bar, crash simulation, engineering design, motorcycle safety.

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Authors: Afaq Ahmad

Abstract:

Using state space technique and GF(2) theory, a simulation model for external exclusive NOR type LFSR structures is developed. Through this tool a systematic procedure is devised for computing pseudo-random binary sequences from such structures.

Keywords: LFSR, external exclusive NOR type, recursivebinary sequence, initial state - next state, state transition matrix.

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Authors: K. Sandjak, B. Tiliouine

Abstract:

This article presents the main results of three-dimensional (3-D) numerical investigation of asphalt pavement structures behaviour using a coupled Finite Element-Mapped Infinite Element (FE-MIE) model. The validation and numerical performance of this model are assessed by confronting critical pavement responses with Burmister’s solution and FEM simulation results for multi-layered elastic structures. The coupled model is then efficiently utilised to perform 3-D simulations of a typical asphalt pavement structure in order to investigate the impact of two tire configurations (conventional dual and new generation wide-base tires) on critical pavement response parameters. The numerical results obtained show the effectiveness and the accuracy of the coupled (FE-MIE) model. In addition, the simulation results indicate that, compared with conventional dual tire assembly, single wide base tire caused slightly greater fatigue asphalt cracking and subgrade rutting potentials and can thus be utilised in view of its potential to provide numerous mechanical, economic, and environmental benefits.

Keywords: Infinite elements, 3-D numerical investigation, asphalt pavements, dual and wide base tires.

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Authors: Tarek Aboueldah, Hanan Farag

Abstract:

Parallel Job Shop Scheduling Problem (JSSP) is a multi-objective and multi constrains NP-optimization problem. Traditional Artificial Intelligence techniques have been widely used; however, they could be trapped into the local minimum without reaching the optimum solution. Thus, we propose a hybrid Artificial Intelligence (AI) model with Discrete Breeding Swarm (DBS) added to traditional AI to avoid this trapping. This model is applied in the cost minimization of the Car Sequencing and Operator Allocation (CSOA) problem. The practical experiment shows that our model outperforms other techniques in cost minimization.

Keywords: Parallel Job Shop Scheduling Problem, Artificial Intelligence, Discrete Breeding Swarm, Car Sequencing and Operator Allocation, cost minimization.

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Authors: Sacide Güzin Mazman, Yasemin Koçak Usluel

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Possible advantages of technology in educational context required the defining boundaries of formal and informal learning. Increasing opportunity to ubiquitous learning by technological support has revealed a question of how to discover the potential of individuals in the spontaneous environments such as social networks. This seems to be related with the question of what purposes in social networks have been being used? Social networks provide various advantages in educational context as collaboration, knowledge sharing, common interests, active participation and reflective thinking. As a consequence of these, the purpose of this study is composed of proposing a new model that could determine factors which effect adoption of social network applications for usage in educational context. While developing a model proposal, the existing adoption and diffusion models have been reviewed and they are thought to be suitable on handling an original perspective instead of using completely other diffusion or acceptance models because of different natures of education from other organizations. In the proposed model; social factors, perceived ease of use, perceived usefulness and innovativeness are determined four direct constructs that effect adoption process. Facilitating conditions, image, subjective norms and community identity are incorporated to model as antecedents of these direct four constructs.

Keywords: Adoption of innovation, educational context, social networks.

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Authors: S. N. Deepa, G. Sugumaran

Abstract:

This paper proposes a new algebraic scheme to design a PID controller for higher order linear time invariant continuous systems. Modified PSO (MPSO) based model order formulation techniques have applied to obtain the effective formulated second order system. A controller is tuned to meet the desired performance specification by using pole-zero cancellation method. Proposed PID controller is attached with both higher order system and formulated second order system. The closed loop response is observed for stabilization process and compared with general PSO based formulated second order system. The proposed method is illustrated through numerical example from literature.

Keywords: Higher order systems, model order formulation, modified particle swarm optimization, PID controller, pole-zero cancellation.

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Authors: Anel Hasić, Naser Prljača

Abstract:

In the domain of autonomous or piloted flights, the accurate control of quadrotor trajectories is of paramount significance for large numbers of tasks. These adaptable aerial platforms find applications that span from high-precision aerial photography and surveillance to demanding search and rescue missions. Among the fundamental challenges confronting quadrotor operation is the demand for accurate following of desired flight paths. To address this control challenge, among others, two celebrated well-established control strategies have emerged as noteworthy contenders: Model Predictive Control (MPC) and Proportional-Integral-Derivative (PID) control. In this work, we focus on the extensive examination of MPC and PID control techniques by using comprehensive simulation studies in MATLAB/Simulink. Intensive simulation results demonstrate the performance of the studied control algorithms.

Keywords: MATLAB, MPC, Model Predictive Control, PID, Proportional-Integral-Derivative, quadcopter, Simulink.

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Authors: Kyoung-Jae Kim, Hyunchul Ahn

Abstract:

This study proposes novel hybrid social network analysis and collaborative filtering approach to enhance the performance of recommender systems. The proposed model selects subgroups of users in Internet community through social network analysis (SNA), and then performs clustering analysis using the information about subgroups. Finally, it makes recommendations using cluster-indexing CF based on the clustering results. This study tries to use the cores in subgroups as an initial seed for a conventional clustering algorithm. This model chooses five cores which have the highest value of degree centrality from SNA, and then performs clustering analysis by using the cores as initial centroids (cluster centers). Then, the model amplifies the impact of friends in social network in the process of cluster-indexing CF.

Keywords: Social network analysis, Recommender systems, Collaborative filtering, Customer relationship management

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Authors: M. Amelsakhi, A. Sohrabi-Bidar, A. Shareghi

Abstract:

One of the most important issues about the structural damages caused by earthquake is the evaluating of the spectral response of the site on which the construction is built. This fact has demonstrated during many earlier earthquakes and many researchers’ reports have concerned with it. According to these reports, features of the site materials and geometry of the ground surface are considered the main factors. This study concentrates on the specific form of topographies like hills. Assessing of spectral responses of different points on the hills and beside demonstrates considerable differences between 1D and 2D methods of geotechnical analyses. A general trend of amplifications on the top of the hills and de-amplifications near the toe of the hills has been appeared within the acceleration, velocity and displacement response spectrums of horizontal motion. Evaluating of spectral responses of different sizes of the hills revealed that as much as the hill-size enlarges differences between spectral responses of 1D and 2D analyses transfers to longer range of periods and becomes wider.

Keywords: Topography effect, Amplification ratio, Response spectrum.

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Authors: Joanna M. Dulińska, Maria Fabijańska

Abstract:

In the paper the results of calculations of the dynamic response of a multi-storey reinforced concrete building to a strong mining shock originated from the main region of mining activity in Poland (i.e. the Legnica-Glogow Copper District) are presented. The representative time histories of accelerations registered in three directions were used as ground motion data in calculations of the dynamic response of the structure. Two variants of a numerical model were applied: the model including only structural elements of the building and the model including both structural and non-structural elements (i.e. partition walls and ventilation ducts made of brick). It turned out that non-structural elements of multi-storey RC buildings have a small impact of about 10 % on natural frequencies of these structures. It was also proved that the dynamic response of building to mining shock obtained in case of inclusion of all non-structural elements in the numerical model is about 20 % smaller than in case of consideration of structural elements only. The principal stresses obtained in calculations of dynamic response of multi-storey building to strong mining shock are situated on the level of about 30% of values obtained from static analysis (dead load).

Keywords: Dynamic characteristics of buildings, mining shocks, dynamic response of buildings, non-structural elements

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Authors: Igor Astrov, Andrus Pedai

Abstract:

This paper focuses on a critical component of the situational awareness (SA), the neural control of depth flight of an autonomous underwater vehicle (AUV). Constant depth flight is a challenging but important task for AUVs to achieve high level of autonomy under adverse conditions. With the SA strategy, we proposed a multirate neural control of an AUV trajectory for a nontrivial mid-small size AUV “r2D4" stochastic model. This control system has been demonstrated and evaluated by simulation of diving maneuvers using software package Simulink. From the simulation results it can be seen that the chosen AUV model is stable in the presence of noises, and also can be concluded that the proposed research technique will be useful for fast SA of similar AUV systems in real-time search-and-rescue operations.

Keywords: Autonomous underwater vehicles, multirate systems, neurocontrollers, situational awareness.

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Authors: Sofia Stoica

Abstract:

In this paper, we use historical data to predict the stock price of a tech company. To this end, we use a dataset consisting of the stock prices over the past five years of 10 major tech companies: Adobe, Amazon, Apple, Facebook, Google, Microsoft, Netflix, Oracle, Salesforce, and Tesla. We implemented and tested three models – a linear regressor model, a k-nearest neighbor model (KNN), and a sequential neural network – and two algorithms – Multiplicative Weight Update and AdaBoost. We found that the sequential neural network performed the best, with a testing error of 0.18%. Interestingly, the linear model performed the second best with a testing error of 0.73%. These results show that using historical data is enough to obtain high accuracies, and a simple algorithm like linear regression has a performance similar to more sophisticated models while taking less time and resources to implement.

Keywords: Finance, machine learning, opening price, stock market.

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Authors: S. Jain, Y. Deshpande

Abstract:

The fluid mechanics principle is used extensively in designing axial flow fans and their associated equipment. This paper presents a computational fluid dynamics (CFD) modeling of air flow distribution from a radiator axial flow fan used in an acid pump truck Tier4 (APT T4) Repower. This axial flow fan augments the transfer of heat from the engine mounted on the APT T4. CFD analysis was performed for an area weighted average static pressure difference at the inlet and outlet of the fan. Pressure contours, velocity vectors, and path lines were plotted for detailing the flow characteristics for different orientations of the fan blade. The results were then compared and verified against known theoretical observations and actual experimental data. This study shows that a CFD simulation can be very useful for predicting and understanding the flow distribution from a radiator fan for further research work.

Keywords: Computational fluid dynamics (CFD), acid pump truck (APT) Tier4 Repower, axial flow fan, area weighted average static pressure difference, and contour plots.

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Authors: M. Safa, S. Samarasinghe

Abstract:

An artificial neural network (ANN) approach was used to model the energy consumption of wheat production. This study was conducted over 35,300 hectares of irrigated and dry land wheat fields in Canterbury in the 2007-2008 harvest year.1 In this study several direct and indirect factors have been used to create an artificial neural networks model to predict energy use in wheat production. The final model can predict energy consumption by using farm condition (size of wheat area and number paddocks), farmers- social properties (education), and energy inputs (N and P use, fungicide consumption, seed consumption, and irrigation frequency), it can also predict energy use in Canterbury wheat farms with error margin of ±7% (± 1600 MJ/ha).

Keywords: Artificial neural network, Canterbury, energy consumption, modelling, New Zealand, wheat.

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Authors: Vijay Kumar Kukreja, Ravneet Kaur

Abstract:

In this paper, one dimensional advection diffusion model is analyzed using finite difference method based on Crank-Nicolson scheme. A practical problem of filter cake washing of chemical engineering is analyzed. The model is converted into dimensionless form. For the grid Ω × ω = [0, 1] × [0, T], the Crank-Nicolson spatial derivative scheme is used in space domain and forward difference scheme is used in time domain. The scheme is found to be unconditionally convergent, stable, first order accurate in time and second order accurate in space domain. For a test problem, numerical results are compared with the analytical ones for different values of parameter.

Keywords: Consistency, Crank-Nicolson scheme, Gerschgorin circle, Lax-Richtmyer theorem, Peclet number, stability.

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Authors: Sergey Sorokin, Irina Sorokina, Alexander Yazenin

Abstract:

We present a solution to the Maxmin u/E parameters estimation problem of possibility distributions in m-dimensional case. Our method is based on geometrical approach, where minimal area enclosing ellipsoid is constructed around the sample. Also we demonstrate that one can improve results of well-known algorithms in fuzzy model identification task using Maxmin u/E parameters estimation.

Keywords: Possibility distribution, parameters estimation, Maxmin u/E estimator, fuzzy model identification.

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Authors: Manpreet Singh, Parvinder Singh, Suman

Abstract:

The data is available in abundance in any business organization. It includes the records for finance, maintenance, inventory, progress reports etc. As the time progresses, the data keep on accumulating and the challenge is to extract the information from this data bank. Knowledge discovery from these large and complex databases is the key problem of this era. Data mining and machine learning techniques are needed which can scale to the size of the problems and can be customized to the application of business. For the development of accurate and required information for particular problem, business analyst needs to develop multidimensional models which give the reliable information so that they can take right decision for particular problem. If the multidimensional model does not possess the advance features, the accuracy cannot be expected. The present work involves the development of a Multidimensional data model incorporating advance features. The criterion of computation is based on the data precision and to include slowly change time dimension. The final results are displayed in graphical form.

Keywords: Multidimensional, data precision.

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Authors: A. Benmakhlouf, A. Bentabet

Abstract:

In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.

Keywords: Pseudo-potential method, pressure, structural and elastic properties, scheelite BaWO4 phase.

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