Search results for: molecular modeling

Authors: Ching-Wei Tsai, Chih-I Liu, Ruoh-Chyu Ruaana

Abstract:

A new strategy for oriented immobilization of proteins was proposed. The strategy contains two steps. The first step is to search for a docking site away from the active site on the protein surface. The second step is trying to find a ligand that is able to grasp the targeted site of the protein. To avoid ligand binding to the active site of protein, the targeted docking site is selected to own opposite charges to those near the active site. To enhance the ligand-protein binding, both hydrophobic and electrostatic interactions need to be included. The targeted docking site should therefore contain hydrophobic amino acids. The ligand is then selected through the help of molecular docking simulations. The enzyme α-amylase derived from Aspergillus oryzae (TAKA) was taken as an example for oriented immobilization. The active site of TAKA is surrounded by negatively charged amino acids. All the possible hydrophobic sites on the surface of TAKA were evaluated by the free energy estimation through benzene docking. A hydrophobic site on the opposite side of TAKA-s active site was found to be positive in net charges. A possible ligand, 3,3-,4,4- – Biphenyltetra- carboxylic acid (BPTA), was found to catch TAKA by the designated docking site. Then, the BPTA molecules were grafted onto silica gels and measured the affinity of TAKA adsorption and the specific activity of thereby immobilized enzymes. It was found that TAKA had a dissociation constant as low as 7.0×10-6 M toward the ligand BPTA on silica gel. The increase in ionic strength has little effect on the adsorption of TAKA, which indicated the existence of hydrophobic interaction between ligands and proteins. The specific activity of the immobilized TAKA was compared with the randomly adsorbed TAKA on primary amine containing silica gel. It was found that the orderly immobilized TAKA owns a specific activity twice as high as the one randomly adsorbed by ionic interaction.

Keywords: Protein Oriented immobilization, Molecular docking, ligand design, surface modification.

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Authors: M. Bassoui, M. Ferfra, M. Chraygane, M. Ould Ahmedou, N. Elghazal, A. Belhaiba

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Currently, the High voltage power supply for microwave generators with one magnetron uses a single-phase transformer with magnetic shunt. To contribute in the development of technological innovation in industry of manufacturing of power supplies of magnetrons for microwaves, ovens for domestic or industrial use, this original work treats the optimization of a new three-phase high voltage power supply for industrial microwaves generators with N magnetrons by phase (Treated case N=1), from its modeling with Matlab-Simulink. The design of this power supply uses three π quadruple models equivalents of new three-phase transformer with magnetic shunt of each phase. Every one supplies at its output a voltage doubler cell composed of a capacitor and a diode that in its output supplies only one magnetron.  In this work we will define a strategy that aims to reduce the volume of the transformer and the weight and cost of the entire system of the high voltage power supply, while respecting the conditions recommended by the manufacturer, concerning the current flowing in each magnetron: (Imax <1.2 A, IAv ≈ 300 mA).

 

Keywords: Optimization, Three-phase transformer, Modeling, power supply, magnetrons, Matlab Simulink, High Voltage

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Authors: Chandrashekhar Bhat, Dilifa J. Noronha, Faber A. Saldanha

Abstract:

Transportation of long turbine blades from one place to another is a difficult process. Hence a feasibility study of modularization of wind turbine blade was taken from structural standpoint through finite element analysis. Initially, a non-segmented blade is modeled and its structural behavior is evaluated to serve as reference. The resonant, static bending and fatigue tests are simulated in accordance with IEC61400-23 standard for comparison purpose. The non-segmented test blade is separated at suitable location based on trade off studies and the segments are joined with an innovative double strap bonded joint configuration. The adhesive joint is modeled by adopting cohesive zone modeling approach in ANSYS. The developed blade model is analyzed for its structural response through simulation. Performances of both the blades are found to be similar, which indicates that, efficient segmentation of the long blade is possible which facilitates easy transportation of the blades and on site reassembling. The location selected for segmentation and adopted joint configuration has resulted in an efficient segmented blade model which proves the methodology adopted for segmentation was quite effective. The developed segmented blade appears to be the viable alternative considering its structural response specifically in fatigue within considered assumptions.

Keywords: Cohesive zone modeling, fatigue, segmentation, wind turbine blade.

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Authors: N. Outili, A-H. Meniai

Abstract:

Modeling transfer phenomena in several chemical engineering operations leads to the resolution of partial differential equations systems. According to the complexity of the operations mechanisms, the equations present a nonlinear form and analytical solution became difficult, we have then to use numerical methods which are based on approximations in order to transform a differential system to an algebraic one.Finite element method is one of numerical methods which can be used to obtain an accurate solution in many complex cases of chemical engineering.The packed columns find a large application like contactor for liquid-liquid systems such solvent extraction. In the literature, the modeling of this type of equipment received less attention in comparison with the plate columns.A mathematical bidimensionnal model with radial and axial dispersion, simulating packed tower extraction behavior was developed and a partial differential equation was solved using the finite element method by adopting the Galerkine model. We developed a Mathcad program, which can be used for a similar equations and concentration profiles are obtained along the column. The influence of radial dispersion was prooved and it can-t be neglected, the results were compared with experimental concentration at the top of the column in the extraction system: acetone/toluene/water.

Keywords: finite element method, Galerkine method, liquidliquid extraction modelling, packed column simulation, two dimensional model

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Authors: N. Gigauri, V. Kukhalashvili, A. Surmava, L. Intskirveli, L. Gverdtsiteli

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Tbilisi, a large city of the South Caucasus, is a junction point connecting Asia and Europe, Russia and republics of the Asia Minor. Over the last years, its atmosphere has been experienced an increasing anthropogenic load. Numerical modeling method is used for study of Tbilisi atmospheric air pollution. By means of 3D non-linear non-steady numerical model a peculiarity of city atmosphere pollution is investigated during background western light air. Dust concentration spatial and time changes are determined. There are identified the zones of high, average and less pollution, dust accumulation areas, transfer directions etc. By numerical modeling, there is shown that the process of air pollution by the dust proceeds in four stages, and they depend on the intensity of motor traffic, the micro-relief of the city, and the location of city mains. In the interval of time 06:00-09:00 the intensive growth, 09:00-15:00 a constancy or weak decrease, 18:00-21:00 an increase, and from 21:00 to 06:00 a reduction of the dust concentrations take place. The highly polluted areas are located in the vicinity of the city center and at some peripherical territories of the city, where the maximum dust concentration at 9PM is equal to 2 maximum allowable concentrations. The similar investigations conducted in case of various meteorological situations will enable us to compile the map of background urban pollution and to elaborate practical measures for ambient air protection.

Keywords: Numerical modelling, source of pollution, dust propagation, western light air.

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Authors: L. Khalfa, M. Bagane, M. L. Cervera, S. Najjar

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The aim of this work is to present a low cost adsorbent for removing toxic heavy metals from aqueous solutions. Therefore, we are interested to investigate the efficiency of natural clay minerals collected from south Tunisia and their modified form using sulfuric acid in the removal of toxic metal ions: Zn(II) and Pb(II) from synthetic waste water solutions. The obtained results indicate that metal uptake is pH-dependent and maximum removal was detected to occur at pH 6. Adsorption equilibrium is very rapid and it was achieved after 90 min for both metal ions studied. The kinetics results show that the pseudo-second-order model describes the adsorption and the intraparticle diffusion models are the limiting step. The treatment of natural clay with sulfuric acid creates more active sites and increases the surface area, so it showed an increase of the adsorbed quantities of lead and zinc in single and binary systems. The competitive adsorption study showed that the uptake of lead was inhibited in the presence of 10 mg/L of zinc. An antagonistic binary adsorption mechanism was observed. These results revealed that clay is an effective natural material for removing lead and zinc in single and binary systems from aqueous solution.

Keywords: Lead, zinc heavy metal, activated clay, kinetic study, competitive adsorption, modeling.

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Authors: Hidetoshi Nonaka

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This paper presents an interactive modeling system of polyhedra using the isomorphic graphs. Especially, Conway polyhedron notation is implemented. The notation can be observed as interactive animation.

Keywords: Conway polyhedron notation, Polyhedral graph, Visualization.

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Authors: Marcela Karmazínová, Michal Štrba, Milan Pilgr

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The paper deals with the problems of the actual behavior, failure mechanism and load-carrying capacity of the special bolt connection developed and intended for the assembly connections of truss main girders of perspective railway temporary steel bridges. Within the framework of this problem solution, several types of structural details of assembly joints have been considered as the conceptual structural design. Based on the preliminary evaluation of advantages or disadvantages of these ones, in principle two basic structural configurations – so-called “tooth” and “splice-plate” connections have been selected for the subsequent detailed investigation. This investigation is mainly based on the experimental verification of the actual behavior, strain and failure mechanism and corresponding strength of the connection, and on its numerical modeling using FEM. This paper is focused only on the cyclic loading (fatigue) tests results of “splice-plate” connections and their evaluation, which have already been finished. Simultaneously with the fatigue tests, the static loading tests have been realized too, but these ones, as well as FEM numerical modeling, are not the subject of this paper.

Keywords: Bolt assembly connection, Cyclic loading, Failure mechanisms, Fatigue strength, Steel structure, Structural detail category, Temporary railway bridge.

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Authors: S. Behnia, S. Fathizadeh

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Conductivity properties of DNA molecule is investigated in a simple, but chemically specific approach that is intimately related to the Su-Schrieffer-Heeger (SSH) model. This model is a tight-binding linear nanoscale chain. We have tried to study the electrical current flowing in DNA and investigated the characteristic I-V diagram. As a result, It is shown that there are the (quasi-) ohmic areas in I-V diagram. On the other hand, the regions with a negative differential resistance (NDR) are detectable in diagram.

Keywords: Charge transfer in DNA, Chaos theory, Molecular electronics, Negative Differential resistance.

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Authors: Clement M. Matasane, Mohamed T. Kahn

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Biomass resources such as animal waste, agricultural and acro-industrial residues, forestry and woodland waste, and industrial and municipal solid wastes provide alternative means to utilize its untapped potential for biomass/biofuel renewable energy systems. In addition, crop residues (i.e., grain, starch, and energy crops) are commonly available in the district and play an essential role in community farming activities. The remote sensing technology (mappings) and geographic information systems tool will be used to determine the biomass potential in the Vhembe District Municipality. The detailed assessment, estimation, and modeling in quantifying their distribution, abundance, and quality yield an effective and efficient use of their potential. This paper aims to examine the potential and prospects of deploying bioenergy systems in small or micro-systems in the district for community use and applications. This deployment of the biofuels/biomass systems will help communities for sustainable energy supply from their traditional energy use into innovative and suitable methods that improve their livelihood. The study demonstrates the potential applications of Geographical Information Systems (GIS) in spatial mapping analysis, evaluation, modeling, and decision support for easy access to renewable energy systems.

Keywords: Agricultural crops, waste materials, biomass potentials, bioenergy potentials, GIS mappings, environmental data, renewable energy deployment, sustainable energy supply.

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Authors: A. Lauvray, F. Poulhaon, P. Michaud, P. Joyot, E. Duc

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Additive Friction Stir Manufacturing, or AFSM, is a new industrial process that follows the emergence of friction-based processes. The AFSM process is a solid-state additive process using the energy produced by the friction at the interface between a rotating non-consumable tool and a substrate. Friction depends on various parameters like axial force, rotation speed or friction coefficient. The feeder material is a metallic rod that flows through a hole in the tool. There is still a lack in understanding of the physical phenomena taking place during the process. This research aims at a better AFSM process understanding and implementation, thanks to numerical simulation and experimental validation performed on a prototype effector. Such an approach is considered a promising way for studying the influence of the process parameters and to finally identify a process window that seems relevant. The deposition of material through the AFSM process takes place in several phases. In chronological order these phases are the docking phase, the dwell time phase, the deposition phase, and the removal phase. The present work focuses on the dwell time phase that enables the temperature rise of the system due to pure friction. An analytic modeling of heat generation based on friction considers as main parameters the rotational speed and the contact pressure. Another parameter considered influential is the friction coefficient assumed to be variable, due to the self-lubrication of the system with the rise in temperature or the materials in contact roughness smoothing over time. This study proposes through a numerical modeling followed by an experimental validation to question the influence of the various input parameters on the dwell time phase. Rotation speed, temperature, spindle torque and axial force are the main monitored parameters during experimentations and serve as reference data for the calibration of the numerical model. This research shows that the geometry of the tool as well as fluctuations of the input parameters like axial force and rotational speed are very influential on the temperature reached and/or the time required to reach the targeted temperature. The main outcome is the prediction of a process window which is a key result for a more efficient process implementation.

Keywords: numerical model, additive manufacturing, frictional heat generation, process

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Authors: Yazan M. Alatrash, Han-ok Kang, Hyun-gi Yoon, Shen Zhang, Juhyeon Yoon

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Flow coastdown phenomena are very important to secure nuclear fuel integrity during loss of off-site power accidents. In this study, primary coolant flow coastdown phenomena are investigated for the Jordan Research and Training Reactor (JRTR) using a simulation software package, Modular Modeling System (MMS). Two MMS models are built. The first one is a simple model to investigate the characteristics of the primary coolant pump only. The second one is a model for a simulation of the Primary Coolant System (PCS) loop, in which all the detailed design data of the JRTR PCS system are modeled, including the geometrical arrangement data. The same design data for a PCS pump are used for both models. Coastdown curves obtained from the two models are compared to study the PCS loop coolant inertia effect on a flow coastdown. Results showed that the loop coolant inertia effect is found to be small in the JRTR PCS loop, i.e., about one second increases in a coastdown half time required to halve the coolant flow rate. The effects of different flywheel inertia on the flow coastdown are also investigated. It is demonstrated that the coastdown half time increases with the flywheel inertia linearly. The designed coastdown half time is proved to be well above the design requirement for the fuel integrity.

Keywords: Flow Coastdown, Loop Coolant Inertia, Modeling, Research Reactor.

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Authors: Wai Phyo Aung

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Wheeled Mobile Robots (WMRs) are built with their Wheels- drive machine, Motors. Depend on their desire design of WMR, Technicians made used of DC Motors for motion control. In this paper, the author would like to analyze how to choose DC motor to be balance with their applications of especially for WMR. Specification of DC Motor that can be used with desire WMR is to be determined by using MATLAB Simulink model. Therefore, this paper is mainly focus on software application of MATLAB and Control Technology. As the driving system of DC motor, a Peripheral Interface Controller (PIC) based control system is designed including the assembly software technology and H-bridge control circuit. This Driving system is used to drive two DC gear motors which are used to control the motion of WMR. In this analyzing process, the author mainly focus the drive system on driving two DC gear motors that will control with Differential Drive technique to the Wheeled Mobile Robot . For the design analysis of Motor Driving System, PIC16F84A is used and five inputs of sensors detected data are tested with five ON/OFF switches. The outputs of PIC are the commands to drive two DC gear motors, inputs of Hbridge circuit .In this paper, Control techniques of PIC microcontroller and H-bridge circuit, Mechanism assignments of WMR are combined and analyzed by mainly focusing with the “Modeling and Simulink of DC Motor using MATLAB".

Keywords: Control System Design, DC Motors, DifferentialDrive, H-bridge control circuit, MATLAB Simulink model, Peripheral Interface Controller (PIC), Wheeled Mobile Robots.

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Authors: Huihai Wu, Xiaohui Liu

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Using Dynamic Bayesian Networks (DBN) to model genetic regulatory networks from gene expression data is one of the major paradigms for inferring the interactions among genes. Averaging a collection of models for predicting network is desired, rather than relying on a single high scoring model. In this paper, two kinds of model searching approaches are compared, which are Greedy hill-climbing Search with Restarts (GSR) and Markov Chain Monte Carlo (MCMC) methods. The GSR is preferred in many papers, but there is no such comparison study about which one is better for DBN models. Different types of experiments have been carried out to try to give a benchmark test to these approaches. Our experimental results demonstrated that on average the MCMC methods outperform the GSR in accuracy of predicted network, and having the comparable performance in time efficiency. By proposing the different variations of MCMC and employing simulated annealing strategy, the MCMC methods become more efficient and stable. Apart from comparisons between these approaches, another objective of this study is to investigate the feasibility of using DBN modeling approaches for inferring gene networks from few snapshots of high dimensional gene profiles. Through synthetic data experiments as well as systematic data experiments, the experimental results revealed how the performances of these approaches can be influenced as the target gene network varies in the network size, data size, as well as system complexity.

Keywords: Genetic regulatory network, Dynamic Bayesian network, GSR, MCMC.

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Authors: Xiuzhan Guo, Arthur Berrill, Ajinkya Kulkarni, Kostya Belezko, Min Luo

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Ontology operations, e.g., aligning and merging, were studied and implemented extensively in different settings, such as, categorical operations, relation algebras, typed graph grammars, with different concerns. However, aligning and merging operations in the settings share some generic properties, e.g., idempotence, commutativity, associativity, and representativity, which are defined on an ontology merging system, given by a nonempty set of the ontologies concerned, a binary relation on the set of the ontologies modeling ontology aligning, and a partial binary operation on the set of the ontologies modeling ontology merging. Given an ontology repository, a finite subset of the set of the ontologies, its merging closure is the smallest subset of the set of the ontologies, which contains the repository and is closed with respect to merging. If idempotence, commutativity, associativity, and representativity properties are satisfied, then both the set of the ontologies and the merging closure of the ontology repository are partially ordered naturally by merging, the merging closure of the ontology repository is finite and can be computed, compared, and sorted efficiently, including sorting, selecting, and querying some specific elements, e.g., maximal ontologies and minimal ontologies. An ontology Valignment pair is a pair of ontology homomorphisms with a common domain. We also show that the ontology merging system, given by ontology V-alignment pairs and pushouts, satisfies idempotence, commutativity, associativity, and representativity properties so that the merging system is partially ordered and the merging closure of a given repository with respect to pushouts can be computed efficiently.

Keywords: Ontology aligning, ontology merging, merging system, poset, merging closure, ontology V-alignment pair, ontology homomorphism, ontology V-alignment pair homomorphism, pushout.

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Authors: Abdulbasit G. A. Abdulsayid

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The main focus of the work was concerned with hydrodynamic and thermal analysis of the plate heat exchanger channel with corrugation patterns suggested to be triangular, sinusoidal, and square corrugation. This study was to numerically model and validate the triangular corrugated channel with dimensions/parameters taken from open literature, and then model/analyze both sinusoidal, and square corrugated channel referred to the triangular model. Initially, 2D modeling with local extensive analysis for triangular corrugated channel was carried out. By that, all local pressure drop, wall shear stress, friction factor, static temperature, heat flux, Nusselt number, and surface heat coefficient, were analyzed to interpret the hydrodynamic and thermal phenomena occurred in the flow. Furthermore, in order to facilitate confidence in this model, a comparison between the values predicted, and experimental results taken from literature for almost the same case, was done. Moreover, a holistic numerical study for sinusoidal and square channels together with global comparisons with triangular corrugation under the same condition, were handled. Later, a comparison between electric, and fluid cooling through varying the boundary condition was achieved. The constant wall temperature and constant wall heat flux boundary conditions were employed, and the different resulted Nusselt numbers as a consequence were justified. The results obtained can be used to come up with an optimal design, a 'compromise' between heat transfer and pressure drop.

Keywords: Corrugated Channel, CFD, Heat Exchanger, Heat Enhancement.

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Authors: Yuan L. Lai, Yong R. Chen, Jui P. Hung, Tzuo L. Luo, Hsi H. Hsiao

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Chatter vibration has been a troublesome problem for a machine tool toward the high precision and high speed machining. Essentially, the machining performance is determined by the dynamic characteristics of the machine tool structure and dynamics of cutting process. Therefore the dynamic vibration behavior of spindle tool system greatly determines the performance of machine tool. The purpose of this study is to investigate the influences of the machine frame structure on the dynamic frequency of spindle tool unit through finite element modeling approach. To this end, a realistic finite element model of the vertical milling system was created by incorporated the spindle-bearing model into the spindle head stock of the machine frame. Using this model, the dynamic characteristics of the milling machines with different structural designs of spindle head stock and identical spindle tool unit were demonstrated. The results of the finite element modeling reveal that the spindle tool unit behaves more compliant when the excited frequency approaches the natural mode of the spindle tool; while the spindle tool show a higher dynamic stiffness at lower frequency that may be initiated by the structural mode of milling head. Under this condition, it is concluded that the structural configuration of spindle head stock associated with the vertical column of milling machine plays an important role in determining the machining dynamics of the spindle unit.

Keywords: Machine tools, Compliance, Frequency response function, Machine frame structure, Spindle unit

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Authors: Su-Yan Tang, Wei Zhang, Shan Mei, Yi-Fan Zhu

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Network-Centric Air Defense Missile Systems (NCADMS) represents the superior development of the air defense missile systems and has been regarded as one of the major research issues in military domain at present. Due to lack of knowledge and experience on NCADMS, modeling and simulation becomes an effective approach to perform operational analysis, compared with those equation based ones. However, the complex dynamic interactions among entities and flexible architectures of NCADMS put forward new requirements and challenges to the simulation framework and models. ABS (Agent-Based Simulations) explicitly addresses modeling behaviors of heterogeneous individuals. Agents have capability to sense and understand things, make decisions, and act on the environment. They can also cooperate with others dynamically to perform the tasks assigned to them. ABS proves an effective approach to explore the new operational characteristics emerging in NCADMS. In this paper, based on the analysis of network-centric architecture and new cooperative engagement strategies for NCADMS, an agent-based simulation framework by expanding the simulation framework in the so-called System Effectiveness Analysis Simulation (SEAS) was designed. The simulation framework specifies components, relationships and interactions between them, the structure and behavior rules of an agent in NCADMS. Based on scenario simulations, information and decision superiority and operational advantages in NCADMS were analyzed; meanwhile some suggestions were provided for its future development.

Keywords: air defense missile systems, network-centric, agent-based simulation, simulation framework, information superiority, decision superiority, operational advantages

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Authors: V. Pizarro-Carmona, S. Castano-Solis, M. Cortés-Carmona, J. Fraile-Ardanuy, D. Jimenez-Bermejo

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The purpose of this article is to optimize the Equivalent Electric Circuit Model (EECM) of different orders to obtain greater precision in the modeling of Li-ion battery packs. Optimization includes considering circuits based on 1RC, 2RC and 3RC networks, with a dependent voltage source and a series resistor. The parameters are obtained experimentally using tests in the time domain and in the frequency domain. Due to the high non-linearity of the behavior of the battery pack, Genetic Algorithm (GA) was used to solve and optimize the parameters of each EECM considered (1RC, 2RC and 3RC). The objective of the estimation is to minimize the mean square error between the measured impedance in the real battery pack and those generated by the simulation of different proposed circuit models. The results have been verified by comparing the Nyquist graphs of the estimation of the complex impedance of the pack. As a result of the optimization, the 2RC and 3RC circuit alternatives are considered as viable to represent the battery behavior. These battery pack models are experimentally validated using a hardware-in-the-loop (HIL) simulation platform that reproduces the well-known New York City cycle (NYCC) and Federal Test Procedure (FTP) driving cycles for electric vehicles. The results show that using GA optimization allows obtaining EECs with 2RC or 3RC networks, with high precision to represent the dynamic behavior of a battery pack in vehicular applications.

Keywords: Li-ion battery packs modeling optimized, EECM, GA, electric vehicle applications.

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Authors: Pavel Pořízka, David Prochazka, Karel Novotný, Ota Samek, ZdeněkPilát, Klára Procházková, and Jozef Kaiser

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Themain goal of this article is to find efficient methods for elemental and molecular analysis of living microorganisms (algae) under defined environmental conditions and cultivation processes. The overall knowledge of chemical composition is obtained utilizing laser-based techniques, Laser- Induced Breakdown Spectroscopy (LIBS) for acquiring information about elemental composition and Raman Spectroscopy for gaining molecular information, respectively. Algal cells were suspended in liquid media and characterized using their spectra. Results obtained employing LIBS and Raman Spectroscopy techniques will help to elucidate algae biology (nutrition dynamics depending on cultivation conditions) and to identify algal strains, which have the potential for applications in metal-ion absorption (bioremediation) and biofuel industry. Moreover, bioremediation can be readily combined with production of 3rd generation biofuels. In order to use algae for efficient fuel production, the optimal cultivation parameters have to be determinedleading to high production of oil in selected cellswithout significant inhibition of the photosynthetic activity and the culture growth rate, e.g. it is necessary to distinguish conditions for algal strain containing high amount of higher unsaturated fatty acids. Measurements employing LIBS and Raman Spectroscopy were utilized in order to give information about alga Trachydiscusminutus with emphasis on the amount of the lipid content inside the algal cell and the ability of algae to withdraw nutrients from its environment and bioremediation (elemental composition), respectively. This article can serve as the reference for further efforts in describing complete chemical composition of algal samples employing laserablation techniques.

Keywords: Laser-Induced Breakdown Spectroscopy, Raman Spectroscopy, Algae, Algal strains, Bioremediation, Biofuels.

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Authors: J. P. Panda, K. Sasmal, H. V. Warrior

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Eddy viscosity models in turbulence modeling can be mainly classified as linear and nonlinear models. Linear formulations are simple and require less computational resources but have the disadvantage that they cannot predict actual flow pattern in complex geophysical flows where streamline curvature and swirling motion are predominant. A constitutive equation of Reynolds stress anisotropy is adopted for the formulation of eddy viscosity including all the possible higher order terms quadratic in the mean velocity gradients, and a simplified model is developed for actual oceanic flows where only the vertical velocity gradients are important. The new model is incorporated into the one dimensional General Ocean Turbulence Model (GOTM). Two realistic oceanic test cases (OWS Papa and FLEX' 76) have been investigated. The new model predictions match well with the observational data and are better in comparison to the predictions of the two equation k-epsilon model. The proposed model can be easily incorporated in the three dimensional Princeton Ocean Model (POM) to simulate a wide range of oceanic processes. Practically, this model can be implemented in the coastal regions where trasverse shear induces higher vorticity, and for prediction of flow in estuaries and lakes, where depth is comparatively less. The model predictions of marine turbulence and other related data (e.g. Sea surface temperature, Surface heat flux and vertical temperature profile) can be utilized in short term ocean and climate forecasting and warning systems.

Keywords: Eddy viscosity, turbulence modeling, GOTM, CFD.

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Authors: B. Vadiraj, S. N. Omkar, B. Kapil Bharadwaj, Yash Vardhan Gupta

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During manned exploration of space, missions will require astronaut crewmembers to perform Extra Vehicular Activities (EVAs) for a variety of tasks. These EVAs take place after long periods of operations in space, and in and around unique vehicles, space structures and systems. Considering the remoteness and time spans in which these vehicles will operate, EVA system operations should utilize common worksites, tools and procedures as much as possible to increase the efficiency of training and proficiency in operations. All of the preparations need to be carried out based on studies of astronaut motions. Until now, development and training activities associated with the planned EVAs in Russian and U.S. space programs have relied almost exclusively on physical simulators. These experimental tests are expensive and time consuming. During the past few years a strong increase has been observed in the use of computer simulations due to the fast developments in computer hardware and simulation software. Based on this idea, an effort to develop a computational simulation system to model human dynamic motion for EVA is initiated. This study focuses on the simulation of an astronaut moving the orbital replaceable units into the worksites or removing them from the worksites. Our physics-based methodology helps fill the gap in quantitative analysis of astronaut EVA by providing a multisegment human arm model. Simulation work described in the study improves on the realism of previous efforts, incorporating joint stops to account for the physiological limits of range of motion. To demonstrate the utility of this approach human arm model is simulated virtually using ADAMS/LifeMOD^® software. Kinematic mechanism for the astronaut’s task is studied from joint angles and torques. Simulation results obtained is validated with numerical simulation based on the principles of Newton-Euler method. Torques determined using mathematical model are compared among the subjects to know the grace and consistency of the task performed. We conclude that due to uncertain nature of exploration-class EVA, a virtual model developed using multibody dynamics approach offers significant advantages over traditional human modeling approaches.

Keywords: Extra vehicular activity, biomechanics, inverse kinematics, human body modeling.

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Authors: Astiaj Khoramshahi, Hossein Ahmadi Danesh Ashtiani, Ahmad Khoshgard, Hamidreza Damghani, Leila Damghani

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Solar energy systems using various storages are required to be evaluated based on energy requirements and applications. Also, modeling and analysis of storage systems are necessary to increase the effectiveness of combinations of these systems. In this paper, analysis based on the MATLAB software has been analyzed to evaluate the response of the hybrid energy system considering various technologies of renewable energy and energy storage. In the present study, three different simulation scenarios are presented. Simulation output results using software for the first scenario show that the battery is effective in smoothing the overall power demand to the consumer studied during a day, but temporary loads on the grid with high frequencies, effectively cannot be canceled due to the limited response speed of battery control. Simulation outputs for the second scenario using the energy storage system show that sudden changes in demand power are paved by super saving. The majority of these sudden changes in power demand are caused by sewing consumers and receiving variable solar power (due to clouds passing through the solar array). Simulation outputs for the third scenario show the effects of the hybrid system for the same consumer and the output of the solar array, leading to the smallest amount of power demand fed into the grid, as well as demand at peak times. According to the "battery only" scenario, the displacement technique of the peak load has been significantly reduced.

Keywords: Storage system, super storage, standalone, microgrid.

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Authors: Dhruvit S. Berawala, Jann R. Ursin, Obrad Slijepcevic

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Shale gas is one of the most rapidly growing forms of natural gas. Unconventional natural gas deposits are difficult to characterize overall, but in general are often lower in resource concentration and dispersed over large areas. Moreover, gas is densely packed into the matrix through adsorption which accounts for large volume of gas reserves. Gas production from tight shale deposits are made possible by extensive and deep well fracturing which contacts large fractions of the formation. The conventional reservoir modelling and production forecasting methods, which rely on fluid-flow processes dominated by viscous forces, have proved to be very pessimistic and inaccurate. This paper presents a new approach to forecast shale gas production by detailed modeling of gas desorption, diffusion and non-linear flow mechanisms in combination with statistical representation of these processes. The representation of the model involves a cube as a porous media where free gas is present and a sphere (SiC: Sphere in Cube model) inside it where gas is adsorbed on to the kerogen or organic matter. Further, the sphere is considered consisting of many layers of adsorbed gas in an onion-like structure. With pressure decline, the gas desorbs first from the outer most layer of sphere causing decrease in its molecular concentration. The new available surface area and change in concentration triggers the diffusion of gas from kerogen. The process continues until all the gas present internally diffuses out of the kerogen, gets adsorbs onto available surface area and then desorbs into the nanopores and micro-fractures in the cube. Each SiC idealizes a gas pathway and is characterized by sphere diameter and length of the cube. The diameter allows to model gas storage, diffusion and desorption; the cube length takes into account the pathway for flow in nanopores and micro-fractures. Many of these representative but general cells of the reservoir are put together and linked to a well or hydraulic fracture. The paper quantitatively describes these processes as well as clarifies the geological conditions under which a successful shale gas production could be expected. A numerical model has been derived which is then compiled on FORTRAN to develop a simulator for the production of shale gas by considering the spheres as a source term in each of the grid blocks. By applying SiC to field data, we demonstrate that the model provides an effective way to quickly access gas production rates from shale formations. We also examine the effect of model input properties on gas production.

Keywords: Sphere in Cube Grid Approach to Modelling of Shale Gas Production Using Non-Linear Flow Mechanisms

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Authors: Abimbola M. Enitan, Josiah Adeyemo

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Anaerobic modeling is a useful tool to describe and simulate the condition and behaviour of anaerobic treatment units for better effluent quality and biogas generation. The present investigation deals with the anaerobic treatment of brewery wastewater with varying organic loads. The chemical oxygen demand (COD) and total suspended solids (TSS) of the influent and effluent of the bioreactor were determined at various retention times to generate data for kinetic coefficients. The bio-kinetic coefficients in the modified Stover–Kincannon kinetic and methane generation models were determined to study the performance of anaerobic digestion process. At steady-state, the determination of the kinetic coefficient (K), the endogenous decay coefficient (Kd), the maximum growth rate of microorganisms (μmax), the growth yield coefficient (Y), ultimate methane yield (Bo), maximum utilization rate constant Umax and the saturation constant (KB) in the model were calculated to be 0.046 g/g COD, 0.083 (d¯¹), 0.117 (d-¹), 0.357 g/g, 0.516 (L CH4/gCODadded), 18.51 (g/L/day) and 13.64 (g/L/day) respectively. The outcome of this study will help in simulation of anaerobic model to predict usable methane and good effluent quality during the treatment of industrial wastewater. Thus, this will protect the environment, conserve natural resources, saves time and reduce cost incur by the industries for the discharge of untreated or partially treated wastewater. It will also contribute to a sustainable long-term clean development mechanism for the optimization of the methane produced from anaerobic degradation of waste in a close system.

Keywords: Brewery wastewater, methane generation model, environment, anaerobic modeling.

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Authors: Ibrahim A. Al-Sulaihi, Khalid S. Al-Gahtani, Abdullah M. Al-Sugair, Aref A. Abadel

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Achieving environmental sustainability is one of the important issues considered in many countries’ vision. Green/Sustainable building is widely used terminology for describing a friendly environmental construction. Applying sustainable practices has a significant importance in various fields, including construction field that consumes an enormous amount of resource and causes a considerable amount of waste. The need for sustainability is increased in the regions that suffering from the limitation of natural resource and extreme weather conditions such as Saudi Arabia. Since buildings designs are getting sophisticated, the need for tools, which support decision-making for sustainability issues, is increasing, especially in the design and preconstruction stages. In this context, Building Information Modeling (BIM) can aid in performing complex building performance analyses to ensure an optimized sustainable building design. Accordingly, this paper introduces a roadmap towards developing a systematic approach for presenting the sustainability of buildings using BIM. The approach includes set of main processes including; identifying the sustainability parameters that can be used for sustainability assessment in Saudi Arabia, developing sustainability assessment method that fits the special circumstances in the Kingdom, identifying the sustainability requirements and BIM functions that can be used for satisfying these requirements, and integrating these requirements with identified functions. As a result, the sustainability-BIM approach can be developed which helps designers in assessing the sustainability and exploring different design alternatives at the early stage of the construction project.

Keywords: Green buildings, sustainability, BIM, rating systems, environment, Saudi Arabia.

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Authors: Matthias Schmidt, Steffen C. Eickemeyer, Prof. Peter Nyhuis

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Guaranteeing the availability of the required parts at the scheduled time represents a key logistical challenge. This is especially important when several parts are required together. This article describes a tool that supports the positioning in the area of conflict between low stock costs and a high service level for a consumer.

Keywords: Systems Modeling, Manufacturing Systems, Simulation & Control, logistics and supply chain management

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Authors: Peyman Shadman Heidari, Roohollah Ahmady Jazany, Mahmood Reza Mehran, Pouya Shadman Heidari, Mohammad khorasani

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Modeling of Panel Zone (PZ) seismic behavior, because of its role in overall ductility and lateral stiffness of steel moment frames, has been considered a challenge for years. There are some studies regarding the effects of different doubler plates thicknesses and geometric properties of PZ on its seismic behavior. However, there is not much investigation on the effects of number of provided continuity plates in case of presence of one triangular haunch, two triangular haunches and rectangular haunch (T shape haunches) for exterior columns. In this research first detailed finite element models of 12tested connection of SAC joint venture were created and analyzed then obtained cyclic behavior backbone curves of these models besides other FE models for similar tests were used for neural network training. Then seismic behavior of these data is categorized according to continuity plate-s arrangements and differences in type of haunches. PZ with one-sided haunches have little plastic rotation. As the number of continuity plates increases due to presence of two triangular haunches (four continuity plate), there will be no plastic rotation, in other words PZ behaves in its elastic range. In the case of rectangular haunch, PZ show more plastic rotation in comparison with one-sided triangular haunch and especially double-sided triangular haunches. Moreover, the models that will be presented in case of triangular one-sided and double- sided haunches and rectangular haunches as a result of this study seem to have a proper estimation of PZ seismic behavior.

Keywords: Continuity plate, FE models, Neural network, Panel zone, Plastic rotation, Rectangular haunch, Seismic behavior

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Authors: M. Yilmaz, I. Yilmaz, M. Uysal

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The Earth system generates different phenomena that are observable at the surface of the Earth such as mass deformations and displacements leading to plate tectonics, earthquakes, and volcanism. The dynamic processes associated with the interior, surface, and atmosphere of the Earth affect the three pillars of geodesy: shape of the Earth, its gravity field, and its rotation. Geodesy establishes a characteristic structure in order to define, monitor, and predict of the whole Earth system. The traditional and new instruments, observables, and techniques in geodesy are related to the gravity field. Therefore, the geodesy monitors the gravity field and its temporal variability in order to transform the geodetic observations made on the physical surface of the Earth into the geometrical surface in which positions are mathematically defined. In this paper, the main components of the gravity field modeling, (Free-air and Bouguer) gravity anomalies are calculated via recent global models (EGM2008, EIGEN6C4, and GECO) over a selected study area. The model-based gravity anomalies are compared with the corresponding terrestrial gravity data in terms of standard deviation (SD) and root mean square error (RMSE) for determining the best fit global model in the study area at a regional scale in Turkey. The least SD (13.63 mGal) and RMSE (15.71 mGal) were obtained by EGM2008 for the Free-air gravity anomaly residuals. For the Bouguer gravity anomaly residuals, EIGEN6C4 provides the least SD (8.05 mGal) and RMSE (8.12 mGal). The results indicated that EIGEN6C4 can be a useful tool for modeling the gravity field of the Earth over the study area.

Keywords: Free-air gravity anomaly, Bouguer gravity anomaly, global model, land gravity.

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Authors: Hussain Syed Asad, Richard Kwok Kit Yuen, Gongsheng Huang

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Real-time optimization has been considered an effective approach for improving energy efficient operation of heating, ventilation, and air-conditioning (HVAC) systems. In model-based real-time optimization, model mismatches cannot be avoided. When model mismatches are significant, the performance of the real-time optimization will be impaired and hence the expected energy saving will be reduced. In this paper, the model mismatches for chiller plant on real-time optimization are considered. In the real-time optimization of the chiller plant, simplified semi-physical or grey box model of chiller is always used, which should be identified using available operation data. To overcome the model mismatches associated with the chiller model, hybrid Genetic Algorithms (HGAs) method is used for online real-time training of the chiller model. HGAs combines Genetic Algorithms (GAs) method (for global search) and traditional optimization method (i.e. faster and more efficient for local search) to avoid conventional hit and trial process of GAs. The identification of model parameters is synthesized as an optimization problem; and the objective function is the Least Square Error between the output from the model and the actual output from the chiller plant. A case study is used to illustrate the implementation of the proposed method. It has been shown that the proposed approach is able to provide reliability in decision making, enhance the robustness of the real-time optimization strategy and improve on energy performance.

Keywords: Energy performance, hybrid adaptive modeling, hybrid genetic algorithms, real-time optimization, heating, ventilation, and air-conditioning.

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