Search results for: generalized mathematical model.

Authors: Julio Kauss, Miguel Cadillo, David Mauricio

Abstract:

E-commerce is a business model that allows companies to optimize the processes of buying, selling, transferring goods and exchanging services through computer networks or the Internet. In Peru, the electronic commerce is used infrequently. This situation is due, in part to the fact that there is no model that allows companies to implement an e-commerce solution, which means that most SMEs do not have adequate knowledge to adapt to electronic commerce. In this work, a reference model is proposed for the implementation of an e-commerce solution in Peruvian SMEs in the retail sector. It consists of five phases: Business Analysis, Business Modeling, Implementation, Post Implementation and Results. The present model was validated in a SME of the Peruvian retail sector through the implementation of an electronic commerce platform, through which the company increased its sales through the delivery channel by 10% in the first month of deployment. This result showed that the model is easy to implement, is economical and agile. In addition, it allowed the company to increase its business offer, adapt to e-commerce and improve customer loyalty.

Keywords: E-commerce, retail, SMEs, reference model.

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Authors: Jihad S. Daba, J. P. Dubois

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Fading noise degrades the performance of cellular communication, most notably in femto- and pico-cells in 3G and 4G systems. When the wireless channel consists of a small number of scattering paths, the statistics of fading noise is not analytically tractable and poses a serious challenge to developing closed canonical forms that can be analysed and used in the design of efficient and optimal receivers. In this context, noise is multiplicative and is referred to as stochastically local fading. In many analytical investigation of multiplicative noise, the exponential or Gamma statistics are invoked. More recent advances by the author of this paper utilized a Poisson modulated-weighted generalized Laguerre polynomials with controlling parameters and uncorrelated noise assumptions. In this paper, we investigate the statistics of multidiversity stochastically local area fading channel when the channel consists of randomly distributed Rayleigh and Rician scattering centers with a coherent Nakagami-distributed line of sight component and an underlying doubly stochastic Poisson process driven by a lognormal intensity. These combined statistics form a unifying triply stochastic filtered marked Poisson point process model.

Keywords: Cellular communication, femto- and pico-cells, stochastically local area fading channel, triply stochastic filtered marked Poisson point process.

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Authors: Dimitrios N. Gkritzapis, Elias E. Panagiotopoulos, Dionissios P. Margaris, Dimitrios G. Papanikas

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A full six degrees of freedom (6-DOF) flight dynamics model is proposed for the accurate prediction of short and long-range trajectories of high spin and fin-stabilized projectiles via atmospheric flight to final impact point. The projectiles is assumed to be both rigid (non-flexible), and rotationally symmetric about its spin axis launched at low and high pitch angles. The mathematical model is based on the full equations of motion set up in the no-roll body reference frame and is integrated numerically from given initial conditions at the firing site. The projectiles maneuvering motion depends on the most significant force and moment variations, in addition to wind and gravity. The computational flight analysis takes into consideration the Mach number and total angle of attack effects by means of the variable aerodynamic coefficients. For the purposes of the present work, linear interpolation has been applied from the tabulated database of McCoy-s book. The developed computational method gives satisfactory agreement with published data of verified experiments and computational codes on atmospheric projectile trajectory analysis for various initial firing flight conditions.

Keywords: Constant-Variable aerodynamic coefficients, low and high pitch angles, wind.

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Authors: Do-Jin Jang, Sung-Ah Kim

Abstract:

In designing a kinetic façade, it is hard for the designer to make digital models due to its complex geometry with motion. This paper aims to present a methodology of converting a point cloud of a physical model into a single digital model with a certain topology and motion. The method uses a Microsoft Kinect sensor, and color markers were defined and applied to three paper folding-inspired designs. Although the resulted digital model cannot represent the whole folding range of the physical model, the method supports the designer to conduct a performance-oriented design process with the rough physical model in the reduced folding range.

Keywords: Design media, kinetic façades, tangible user interface, 3D scanning.

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Authors: Faraj El Dabee, Romeo Marian, Yousef Amer

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This paper implements the inventory model developed in the first part of this paper in a simplified problem to simultaneously reduce costs and risks in JIT systems. This model is developed to ascertain an optimal ordering strategy for procuring raw materials by using regular multi-external and local backup suppliers to reduce the total cost of the products, and at the same time to reduce the risks arising from this cost reduction within production systems. A comparison between the cost of using the JIT system and using the proposed inventory model shows the superiority of the use of the inventory model.

Keywords: Lean manufacturing, Just-in-Time (JIT), production system, cost-risk reduction, inventory model, eternal supplier, local backup supplier.

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Authors: Sajith Sajeev

Abstract:

The application of Computational Fluid Dynamics (CFD) is widespread in engineering and industry, including aerospace, automotive, and energy. CFD simulations necessitate the use of intricate mathematical models and a substantial amount of computational power to accurately describe the behavior of fluids. The implementation of CFD projects can be difficult, and a well-structured approach to project management is required to assure the timely and cost-effective delivery of high-quality results. This paper's objective is to provide an overview of project management in CFD, including its problems, methodologies, and best practices. The study opens with a discussion of the difficulties connected with CFD project management, such as the complexity of the mathematical models, the need for extensive computational resources, and the difficulties associated with validating and verifying the results. In addition, the study examines the project management methodologies typically employed in CFD, such as the Traditional/Waterfall model, Agile and Scrum. Comparisons are made between the advantages and disadvantages of each technique, and suggestions are made for their effective implementation in CFD projects. The study concludes with a discussion of the best practices for project management in CFD, including the utilization of a well-defined project scope, a clear project plan, and effective teamwork. In addition, it highlights the significance of continuous process improvement and the utilization of metrics to monitor progress and discover improvement opportunities. This article is a resource for project managers, researchers, and practitioners in the field of CFD. It can aid in enhancing project outcomes, reducing risks, and enhancing the productivity of CFD projects. This paper provides a complete overview of project management in CFD and is a great resource for individuals who wish to implement efficient project management methods in CFD projects.

Keywords: Project management, Computational Fluid Dynamics, Traditional/Waterfall methodology, agile methodology, scrum methodology.

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Authors: M. Ghanbari, S. Hossainpour, G. Rezazadeh

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In this paper, longitudinal vibration of a micro-beam in micro-scale fluid media has been investigated. The proposed mathematical model for this study is made up of a micro-beam and a micro-plate at its free end. An AC voltage is applied to the pair of piezoelectric layers on the upper and lower surfaces of the micro-beam in order to actuate it longitudinally. The whole structure is bounded between two fixed plates on its upper and lower surfaces. The micro-gap between the structure and the fixed plates is filled with fluid. Fluids behave differently in micro-scale than macro, so the fluid field in the gap has been modeled based on micro-polar theory. The coupled governing equations of motion of the micro-beam and the micro-scale fluid field have been derived. Due to having non-homogenous boundary conditions, derived equations have been transformed to an enhanced form with homogenous boundary conditions. Using Galerkin-based reduced order model, the enhanced equations have been discretized over the beam and fluid domains and solve simultaneously in order to obtain force response of the micro-beam. Effects of micro-polar parameters of the fluid as characteristic length scale, coupling parameter and surface parameter on the response of the micro-beam have been studied.

Keywords: Micro-polar theory, Galerkin method, MEMS, micro-fluid.

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

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We present probabilistic multinomial Dirichlet classification model for multidimensional data and Gaussian process priors. Here, we have considered efficient computational method that can be used to obtain the approximate posteriors for latent variables and parameters needed to define the multiclass Gaussian process classification model. We first investigated the process of inducing a posterior distribution for various parameters and latent function by using the variational Bayesian approximations and important sampling method, and next we derived a predictive distribution of latent function needed to classify new samples. The proposed model is applied to classify the synthetic multivariate dataset in order to verify the performance of our model. Experiment result shows that our model is more accurate than the other approximation methods.

Keywords: Multinomial dirichlet classification model, Gaussian process priors, variational Bayesian approximation, Importance sampling, approximate posterior distribution, Marginal likelihood evidence.

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Authors: H.Hosseini, A.A. Azemati

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The fundamental defect inherent to the thermoforming technology is wall-thickness variation of the products due to inadequate thermal processing during production of polymer. A nonlinear viscoelastic rheological model is implemented for developing the process model. This model describes deformation process of a sheet in thermoforming process. Because of relaxation pause after plug-assist stage and also implementation of two stage thermoforming process have minor wall-thickness variation and consequently better mechanical properties of polymeric articles. For model validation, a comparative analysis of the theoretical and experimental data is presented.

Keywords: High-quality polymeric article, Thermal Processing, Rheological model, Minor wall-thickness variation.

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Authors: Balgaisha G. Mukanova, Yelbek B. Utepov, Aida G. Nazarova, Alisher Z. Imanov

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The problem of identifying local noise sources on a construction site using a sensor system is considered. Mathematical modeling of detected signals on sensors was carried out, considering signal decay and signal delay time between the source and detector. Recordings of noises produced by construction tools were used as a dependence of noise on time. Synthetic sensor data was constructed based on these data, and a model of the propagation of acoustic waves from a point source in the three-dimensional space was applied. All sensors and sources are assumed to be located in the same plane. A source localization method is checked based on the signal time delay between two adjacent detectors and plotting the direction of the source. Based on the two direct lines' crossline, the noise source's position is determined. Cases of one dominant source and the case of two sources in the presence of several other sources of lower intensity are considered. The number of detectors varies from three to eight detectors. The intensity of the noise field in the assessed area is plotted. The signal of a two-second duration is considered. The source is located for subsequent parts of the signal with a duration above 0.04 sec; the final result is obtained by computing the average value.

Keywords: Acoustic model, direction of arrival, inverse source problem, sound localization, urban noises.

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Authors: Olga Novikova, Timo Vuori

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This paper describes topology of business models in market ecosystem of the emerging electric mobility industry. The business model topology shows that firm-s participation in the ecosystem is associated with different requirements on resources and capabilities, and different levels of risk. Business model concept is used together with concepts of networked value creation and shows that firms can achieve higher levels of sustainable advantage by cooperation, not competition. Hybrid business models provide companies a viable alternative possibility for participation in the market ecosystem.

Keywords: Business model, ecosystem, topology.

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Authors: G.Mehdiyeva, M.Imanova, V.Ibrahimov

Abstract:

Beginning from the creator of integro-differential equations Volterra, many scientists have investigated these equations. Classic method for solving integro-differential equations is the quadratures method that is successfully applied up today. Unlike these methods, Makroglou applied hybrid methods that are modified and generalized in this paper and applied to the numerical solution of Volterra integro-differential equations. The way for defining the coefficients of the suggested method is also given.

Keywords: Integro-differential equations, initial value problem, hybrid methods, predictor-corrector method

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Authors: L. Dzierzbicka-Głowacka, M. Janecki

Abstract:

Seasonal variability of nutrients concentration in the Baltic Sea using the 3D ecosystem numerical model 3D-CEMBS has been investigated. Additionally this study shows horizontal and vertical distribution of nutrients in the Baltic Sea. Model domain is an extended Baltic Sea area divided into 600x640 horizontal grid cells. Aside from standard hydrodynamic parameters 3D-CEMBS produces modeled ecological variables such as: three types of phytoplankton, two detrital classes, dissolved oxygen and the nutrients (nitrate, ammonium, phosphate and silicate). The presented model allows prediction of parameters that describe distribution of nutrients concentration and phytoplankton biomass. 3D-CEMBS can be used to study the effect of different hydrodynamic and biogeochemical processes on distributions of these variables in a larger scale.

Keywords: ecosystem model, nutrients, Baltic Sea

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Authors: Tohru Kawabe

Abstract:

In this paper, a new model predictive PID controller design method for the slip suppression control of EVs (electric vehicles) is proposed. The proposed method aims to improve the maneuverability and the stability of EVs by controlling the wheel slip ratio. The optimal control gains of PID framework are derived by the model predictive control (MPC) algorithm. There also include numerical simulation results to demonstrate the effectiveness of the method.

Keywords: Model Predictive Control, PID controller, Electric Vehicle, Slip suppression

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Authors: Maryam Jamela Ismail, Rosdiazli Ibrahim, Idris Ismail

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In the oil and gas industry, energy prediction can help the distributor and customer to forecast the outgoing and incoming gas through the pipeline. It will also help to eliminate any uncertainties in gas metering for billing purposes. The objective of this paper is to develop Neural Network Model for energy consumption and analyze the performance model. This paper provides a comprehensive review on published research on the energy consumption prediction which focuses on structures and the parameters used in developing Neural Network models. This paper is then focused on the parameter selection of the neural network prediction model development for energy consumption and analysis on the result. The most reliable model that gives the most accurate result is proposed for the prediction. The result shows that the proposed neural network energy prediction model is able to demonstrate an adequate performance with least Root Mean Square Error.

Keywords: Energy Prediction, Multilayer Feedforward, Levenberg-Marquardt, Root Mean Square Error (RMSE)

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Authors: Dongdong Zhang, Deran Zhang

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In this paper, a Markovian risk model with two-type claims is considered. In such a risk model, the occurrences of the two type claims are described by two point processes {Ni(t), t ¸ 0}, i = 1, 2, where {Ni(t), t ¸ 0} is the number of jumps during the interval (0, t] for the Markov jump process {Xi(t), t ¸ 0} . The ruin probability ª(u) of a company facing such a risk model is mainly discussed. An integral equation satisfied by the ruin probability ª(u) is obtained and the bounds for the convergence rate of the ruin probability ª(u) are given by using key-renewal theorem.

Keywords: Risk model, ruin probability, Markov jump process, integral equation.

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Authors: Anwar Jarndal

Abstract:

In this paper, a genetic-neural-network (GNN) based large-signal model for GaN HEMTs is presented along with its parameters extraction procedure. The model is easy to construct and implement in CAD software and requires only DC and S-parameter measurements. An improved decomposition technique is used to model self-heating effect. Two GNN models are constructed to simulate isothermal drain current and power dissipation, respectively. The two model are then composed to simulate the drain current. The modeling procedure was applied to a packaged GaN-on-Si HEMT and the developed model is validated by comparing its large-signal simulation with measured data. A very good agreement between the simulation and measurement is obtained.

Keywords: GaN HEMT, computer-aided design & modeling, neural networks, genetic optimization.

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Authors: Young-Hyun Seo, Hyunwoo Park, Dong-Kyu Kim, Seung-Young Kho

Abstract:

The purpose of this study is providing an improved mode choice model considering parameters including age grouping of prime-aged and old age. In this study, 2010 Household Travel Survey data were used and improper samples were removed through the analysis. Chosen alternative, date of birth, mode, origin code, destination code, departure time, and arrival time are considered from Household Travel Survey. By preprocessing data, travel time, travel cost, mode, and ratio of people aged 45 to 55 years, 55 to 65 years and over 65 years were calculated. After the manipulation, the mode choice model was constructed using LIMDEP by maximum likelihood estimation. A significance test was conducted for nine parameters, three age groups for three modes. Then the test was conducted again for the mode choice model with significant parameters, travel cost variable and travel time variable. As a result of the model estimation, as the age increases, the preference for the car decreases and the preference for the bus increases. This study is meaningful in that the individual and households characteristics are applied to the aggregate model.

Keywords: Age grouping, aging, mode choice model, multinomial logit model.

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Authors: Jai Raj, Jito Vanualailai, Bibhya Sharma, Shonal Singh

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This paper proposes a solution to the motion planning and control problem of car-like mobile robots which is required to move safely to a designated target in a priori known workspace cluttered with swarm of boids exhibiting collective emergent behaviors. A generalized algorithm for target convergence and swarm avoidance is proposed that will work for any number of swarms. The control laws proposed in this paper also ensures practical stability of the system. The effectiveness of the proposed control laws are demonstrated via computer simulations of an emergent behavior.

Keywords: Swarm, practical stability, motion planning, emergent.

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Authors: Parvinder S. Sandhu, Porush Bassi, Amanpreet Singh Brar

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Various models have been derived by studying large number of completed software projects from various organizations and applications to explore how project sizes mapped into project effort. But, still there is a need to prediction accuracy of the models. As Neuro-fuzzy based system is able to approximate the non-linear function with more precision. So, Neuro-Fuzzy system is used as a soft computing approach to generate model by formulating the relationship based on its training. In this paper, Neuro-Fuzzy technique is used for software estimation modeling of on NASA software project data and performance of the developed models are compared with the Halstead, Walston-Felix, Bailey-Basili and Doty Models mentioned in the literature.

Keywords: Effort Estimation, Neural-Fuzzy Model, Halstead Model, Walston-Felix Model, Bailey-Basili Model, Doty Model.

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Authors: Mahmud Fotuhi-Firuzabad, Saeed Afshar

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This paper presents the results of a preventive maintenance application-based study and modeling of failure rates in breakers of electrical distribution systems. This is a critical issue in the reliability assessment of a system. In the analysis conducted in this paper, the impacts of failure rate variations caused by a preventive maintenance are examined. This is considered as a part of a Reliability Centered Maintenance (RCM) application program. A number of load point reliability indices is derived using the mathematical model of the failure rate, which is established using the observed data in a distribution system.

Keywords: Reliability-Centered Maintenance (RCM), failure rate, preventive maintenance (PM), Distribution System Reliability.

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Authors: Josefina Barnachea Janier, Radzuan B. Razali, Afza Shafie, Brahim Belhaouari Samir

Abstract:

In the Enhanced Oil Recovery (EOR) method, use of Carbon dioxide flooding whereby CO₂ is injected into an oil reservoir to increase output when extracting oil resulted significant recovery worldwide. The carbon dioxide function as a pressurizing agent when mixed into the underground crude oil will reduce its viscosity and will enable a rapid oil flow. Despite the CO₂’s advantage in the oil recovery, it may result to asphaltene precipitation a problem that will cause the reduction of oil produced from oil wells. In severe cases, asphaltene precipitation can cause costly blockages in oil pipes and machinery. This paper presents reviews of several studies done on mathematical modeling of asphaltene precipitation. The synthesized result from several researches done on this topic can be used as guide in order to better understand asphaltene precipitation. Likewise, this can be used as initial reference for students, and new researchers doing study on asphaltene precipitation.

Keywords: Asphaltene precipitation, crude oil, carbon dioxide flooding, enhanced oil recovery.

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Authors: Al-Salamin Hussain, Elias O. Tembe

Abstract:

Supply chain (SC) is an operational research (OR) approach and technique which acts as catalyst within central nervous system of business today. Without SC, any type of business is at doldrums, hence entropy. SC is the lifeblood of business today because it is the pivotal hub which provides imperative competitive advantage. The paper present a conceptual framework dubbed as Homomorphic Conceptual Framework for Effective Supply Chain Strategy (HCEFSC).The term Homomorphic is derived from abstract algebraic mathematical term homomorphism (same shape) which also embeds the following mathematical application sets: monomorphisms, isomorphism, automorphisms, and endomorphism. The HCFESC is intertwined and integrated with wide and broad sets of elements.

Keywords: Automorphisms, Homomorphism, Monomorphisms, Supply Chain.

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Authors: Hanaa T. El-Madany, Faten H. Fahmy, Ninet M. A. El-Rahman, Hassen T. Dorrah

Abstract:

Advancements in the field of artificial intelligence (AI) made during this decade have forever changed the way we look at automating spacecraft subsystems including the electrical power system. AI have been used to solve complicated practical problems in various areas and are becoming more and more popular nowadays. In this paper, a mathematical modeling and MATLAB–SIMULINK model for the different components of the spacecraft power system is presented. Also, a control system, which includes either the Neural Network Controller (NNC) or the Fuzzy Logic Controller (FLC) is developed for achieving the coordination between the components of spacecraft power system as well as control the energy flows. The performance of the spacecraft power system is evaluated by comparing two control systems using the NNC and the FLC.

Keywords: Spacecraft, Neural network, Fuzzy logic control, Photovoltaic array.

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Authors: Ashwani K. Rana, Narottam Chand, Vinod Kapoor

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This paper presents a new compact analytical model of the gate leakage current in high-k based nano scale MOSFET by assuming a two-step inelastic trap-assisted tunneling (ITAT) process as the conduction mechanism. This model is based on an inelastic trap-assisted tunneling (ITAT) mechanism combined with a semiempirical gate leakage current formulation in the BSIM 4 model. The gate tunneling currents have been calculated as a function of gate voltage for different gate dielectrics structures such as HfO2, Al2O3 and Si3N4 with EOT (equivalent oxide thickness) of 1.0 nm. The proposed model is compared and contrasted with santaurus simulation results to verify the accuracy of the model and excellent agreement is found between the analytical and simulated data. It is observed that proposed analytical model is suitable for different highk gate dielectrics simply by adjusting two fitting parameters. It was also shown that gate leakages reduced with the introduction of high-k gate dielectric in place of SiO2.

Keywords: Analytical model, High-k gate dielectrics, inelastic trap assisted tunneling, metal–oxide–semiconductor (MOS) devices.

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Authors: George N. Prodromidis, Frank A. Coutelieris

Abstract:

Biogas can be currently considered as an alternative option for electricity production, mainly due to its high energy content (hydrocarbon-rich source), its renewable status and its relatively low utilization cost. Solid Oxide Fuel Cell (SOFC) stacks convert fuel’s chemical energy to electricity with high efficiencies and reveal significant advantages on fuel flexibility combined with lower emissions rate, especially when utilize biogas. Electricity production by biogas constitutes a composite problem which incorporates an extensive parametric analysis on numerous dynamic variables. The main scope of the presented study is to propose a detailed thermodynamic model on the optimization of SOFC-based power plants’ operation based on fundamental thermodynamics, energy and exergy balances. This model named THERMAS (THERmodynamic MAthematical Simulation model) incorporates each individual process, during electricity production, mathematically simulated for different case studies that represent real life operational conditions. Also, THERMAS offers the opportunity to choose a great variety of different values for each operational parameter individually, thus allowing for studies within unexplored and experimentally impossible operational ranges. Finally, THERMAS innovatively incorporates a specific criterion concluded by the extensive energy analysis to identify the most optimal scenario per simulated system in exergy terms. Therefore, several dynamical parameters as well as several biogas mixture compositions have been taken into account, to cover all the possible incidents. Towards the optimization process in terms of an innovative OPF (OPtimization Factor), presented here, this research study reveals that systems supplied by low methane fuels can be comparable to these supplied by pure methane. To conclude, such an innovative simulation model indicates a perspective on the optimal design of a SOFC stack based system, in the direction of the commercialization of systems utilizing biogas.

Keywords: Biogas, Exergy, Optimization, SOFC.

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Authors: Asaiel Alohaly

Abstract:

A theoretical framework for corporate governance is needed to bridge the gap between the corporate governance of private companies and State-Owned Enterprises (SOEs). The two dominant models, being shareholder and stakeholder, do not always address the specific requirements and challenges posed by ‘hybrid’ companies; namely, previously national bodies that have been privatised while the government retains significant control or holds a majority of shares. Thus, an exploratory theoretical study is needed to identify how ‘hybrid’ companies should be defined and why the state model should be acknowledged since it is the less conspicuous model in comparison with the shareholder and stakeholder models. This research focuses on the state model of corporate governance to understand the complex ownership, control pattern, goals, and corporate governance of these hybrid companies. The significance of this research lies in the fact that there is a limited available publication on the state model. This research argues for the state model, which proceeds from an understanding of the institutionally embedded characteristics of hybrid companies, where the government as a shareholder, is either a majority of the total shares, or has been granted power based on the rule of law; the company bylaws.

Keywords: Corporate governance, control, shareholders, state model.

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Authors: Nabila Charkaoui

Abstract:

Interest in Human Consciousness has been revived in the late 20th century from different scientific disciplines. Consciousness studies involve both its understanding and its application. In this paper, a computational model of the minimum consciousness functions necessary in my point of view for Artificial Intelligence applications is presented with the aim of improving the way computations will be made in the future. In section I, human consciousness is briefly described according to the scope of this paper. In section II, a minimum set of consciousness functions is defined - based on the literature reviewed - to be modelled, and then a computational model of these functions is presented in section III. In section IV, an analysis of the model is carried out to describe its functioning in detail.

Keywords: Consciousness, perception, attention.

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Authors: Lv Yuhua

Abstract:

In this paper, by constructing a special cone and using fixed point theorem and fixed point index theorem of cone, we get the existence of positive solution for a class of singular eigenvalue value problems with p-Laplace operator, which improved and generalized the result of related paper.

Keywords: Cone, fixed point index, eigenvalue problem, p-Laplace operator, positive solutions.

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Authors: Paola Lecca, Lorenzo Dematte

Abstract:

Reactiondiffusion systems are mathematical models that describe how the concentration of one or more substances distributed in space changes under the influence of local chemical reactions in which the substances are converted into each other, and diffusion which causes the substances to spread out in space. The classical representation of a reaction-diffusion system is given by semi-linear parabolic partial differential equations, whose general form is ÔêétX(x, t) = DΔX(x, t), where X(x, t) is the state vector, D is the matrix of the diffusion coefficients and Δ is the Laplace operator. If the solute move in an homogeneous system in thermal equilibrium, the diffusion coefficients are constants that do not depend on the local concentration of solvent and of solutes and on local temperature of the medium. In this paper a new stochastic reaction-diffusion model in which the diffusion coefficients are function of the local concentration, viscosity and frictional forces of solvent and solute is presented. Such a model provides a more realistic description of the molecular kinetics in non-homogenoeus and highly structured media as the intra- and inter-cellular spaces. The movement of a molecule A from a region i to a region j of the space is described as a first order reaction Ai k- → Aj , where the rate constant k depends on the diffusion coefficient. Representing the diffusional motion as a chemical reaction allows to assimilate a reaction-diffusion system to a pure reaction system and to simulate it with Gillespie-inspired stochastic simulation algorithms. The stochastic time evolution of the system is given by the occurrence of diffusion events and chemical reaction events. At each time step an event (reaction or diffusion) is selected from a probability distribution of waiting times determined by the specific speed of reaction and diffusion events. Redi is the software tool, developed to implement the model of reaction-diffusion kinetics and dynamics. It is a free software, that can be downloaded from http://www.cosbi.eu. To demonstrate the validity of the new reaction-diffusion model, the simulation results of the chaperone-assisted protein folding in cytoplasm obtained with Redi are reported. This case study is redrawing the attention of the scientific community due to current interests on protein aggregation as a potential cause for neurodegenerative diseases.

Keywords: Reaction-diffusion systems, Fick's law, stochastic simulation algorithm.

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