Search results for: computational assistance

Authors: J.Yojina, W. Ngamsaad, N. Nuttavut, D.Triampo, Y. Lenbury, W. Triampo, P. Kanthang, S.Sriyab

Abstract:

The dynamics of Min proteins plays a center role in accurate cell division. Although the nucleoids may presumably play an important role in prokaryotic cell division, there is a lack of models to account for its participation. In this work, we apply the lattice Boltzmann method to investigate protein oscillation based on a mesoscopic model that takes into account the nucleoid-s role. We found that our numerical results are in reasonably good agreement with the previous experimental results On comparing with the other computational models without the presence of nucleoids, the highlight of our finding is that the local densities of MinD and MinE on the cytoplasmic membrane increases, especially along the cell width, when the size of the obstacle increases, leading to a more distinct cap-like structure at the poles. This feature indicated the realistic pattern and reflected the combination of Min protein dynamics and nucleoid-s role.

Keywords: lattice Boltzmann method, cell division, Minproteins oscillation, nucleoid

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Authors: Sedighe Arabameri, Nasser Salmasi

Abstract:

In this researcha particle swarm optimization (PSO) algorithm is proposedfor no-wait flowshopsequence dependent setuptime scheduling problem with weighted earliness-tardiness penalties as the criterion (
|, |Σ   " ).The smallestposition value (SPV) rule is applied to convert the continuous value of position vector of particles in PSO to job permutations.A timing algorithm is generated to find the optimal schedule and calculate the objective function value of a given sequence in PSO algorithm. Twodifferent neighborhood structures are applied to improve the solution quality of PSO algorithm.The first one is based on variable neighborhood search (VNS) and the second one is a simple one with invariable structure. In order to compare the performance of two neighborhood structures, random test problems are generated and solved by both neighborhood approaches.Computational results show that the VNS algorithmhas better performance than the other one especially for the large sized problems.

Keywords: minimization of summation of weighed earliness and tardiness, no-wait flowshop scheduling, particle swarm optimization, sequence dependent setup times

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

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

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

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Authors: Simon Lessard, Pascal Bigras, Caroline Lau, Daniel Roy, Gilles Soulez, Jacques A. de Guise

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The segmentation of endovascular tools in fluoroscopy images can be accurately performed automatically or by minimum user intervention, using known modern techniques. It has been proven in literature, but no clinical implementation exists so far because the computational time requirements of such technology have not yet been met. A classical segmentation scheme is composed of edge enhancement filtering, line detection, and segmentation. A new method is presented that consists of a vector that propagates in the image to track an edge as it advances. The filtering is performed progressively in the projected path of the vector, whose orientation allows for oriented edge detection, and a minimal image area is globally filtered. Such an algorithm is rapidly computed and can be implemented in real-time applications. It was tested on medical fluoroscopy images from an endovascular cerebral intervention. Ex- periments showed that the 2D tracking was limited to guidewires without intersection crosspoints, while the 3D implementation was able to cope with such planar difficulties.

Keywords: Edge detection, Line Enhancement, Segmentation, Fluoroscopy.

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Authors: K. Singh, T. P. Sharma

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In wireless sensor network (WSN) the use of mobile sink has been attracting more attention in recent times. Mobile sinks are more effective means of balancing load, reducing hotspot problem and elongating network lifetime. The sensor nodes in WSN have limited power supply, computational capability and storage and therefore for continuous data delivery reliability becomes high priority in these networks. In this paper, we propose a Reliable Energy-efficient Data Dissemination (REDD) scheme for WSNs with multiple mobile sinks. In this strategy, sink first determines the location of source and then directly communicates with the source using geographical forwarding. Every forwarding node (FN) creates a local zone comprising some sensor nodes that can act as representative of FN when it fails. Analytical and simulation study reveals significant improvement in energy conservation and reliable data delivery in comparison to existing schemes.

Keywords: Energy Efficient, REED, Sink Mobility, WSN.

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Authors: Jin Xu, Albert Y.S. Lam, Victor O.K. Li

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Stock portfolio selection is a classic problem in finance, and it involves deciding how to allocate an institution-s or an individual-s wealth to a number of stocks, with certain investment objectives (return and risk). In this paper, we adopt the classical Markowitz mean-variance model and consider an additional common realistic constraint, namely, the cardinality constraint. Thus, stock portfolio optimization becomes a mixed-integer quadratic programming problem and it is difficult to be solved by exact optimization algorithms. Chemical Reaction Optimization (CRO), which mimics the molecular interactions in a chemical reaction process, is a population-based metaheuristic method. Two different types of CRO, named canonical CRO and Super Molecule-based CRO (S-CRO), are proposed to solve the stock portfolio selection problem. We test both canonical CRO and S-CRO on a benchmark and compare their performance under two criteria: Markowitz efficient frontier (Pareto frontier) and Sharpe ratio. Computational experiments suggest that S-CRO is promising in handling the stock portfolio optimization problem.

Keywords: Stock portfolio selection, Markowitz model, Chemical Reaction Optimization, Sharpe ratio

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Authors: Kausik Halder, Nabendu Chaki, Ranjan Dasgupta

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We present a modeling framework that supports the engineering of early requirements specifications for design of learner centric dynamic Learning Management System. The framework is based on i* modeling tool and Means End Analysis, that adopts primitive concepts for modeling early requirements (such as actor, goal, and strategic dependency). We show how pedagogical and computational requirements for designing a learner centric Learning Management system can be adapted for the automatic early requirement engineering specifications. Finally, we presented a model on a Learner Quanta based adaptive Courseware. Our early requirement analysis shows that how means end analysis reveals gaps and inconsistencies in early requirements specifications that are by no means trivial to discover without the help of formal analysis tool.

Keywords: Adaptive Courseware, Early Requirement Engineering, Means End Analysis, Organizational Modeling, Requirement Modeling.

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Authors: J. Dumrongsak, A. M. Savill

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Non-premixed turbulent combustion Computational Fluid Dynamics (CFD) has been carried out in a simplified methanefuelled coaxial jet combustor employing Large Eddy Simulation (LES). The objective of this study is to evaluate the performance of LES in modelling non-premixed combustion using a commercial software, FLUENT, and investigate the effects of the grid density and chemistry models employed on the accuracy of the simulation results. A comparison has also been made between LES and Reynolds Averaged Navier-Stokes (RANS) predictions. For LES grid sensitivity test, 2.3 and 6.2 million cell grids are employed with the equilibrium model. The chemistry model sensitivity analysis is achieved by comparing the simulation results from the equilibrium chemistry and steady flamelet models. The predictions of the mixture fraction, axial velocity, species mass fraction and temperature by LES are in good agreement with the experimental data. The LES results are similar for the two chemistry models but influenced considerably by the grid resolution in the inner flame and near-wall regions.

Keywords: Coaxial jet, reacting LES, non-premixed combustion, turbulent flow.

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Authors: P.Ramanathan, P.T.Vanathi

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Parallel Prefix addition is a technique for improving the speed of binary addition. Due to continuing integrating intensity and the growing needs of portable devices, low-power and highperformance designs are of prime importance. The classical parallel prefix adder structures presented in the literature over the years optimize for logic depth, area, fan-out and interconnect count of logic circuits. In this paper, a new architecture for performing 8-bit, 16-bit and 32-bit Parallel Prefix addition is proposed. The proposed prefix adder structures is compared with several classical adders of same bit width in terms of power, delay and number of computational nodes. The results reveal that the proposed structures have the least power delay product when compared with its peer existing Prefix adder structures. Tanner EDA tool was used for simulating the adder designs in the TSMC 180 nm and TSMC 130 nm technologies.

Keywords: Parallel Prefix Adder (PPA), Dot operator, Semi-Dotoperator, Complementary Metal Oxide Semiconductor (CMOS), Odd-dot operator, Even-dot operator, Odd-semi-dot operator andEven-semi-dot operator.

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Authors: Nurcan Tuncbag, Turkan Haliloglu, Ozlem Keskin

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Understanding the cell's large-scale organization is an interesting task in computational biology. Thus, protein-protein interactions can reveal important organization and function of the cell. Here, we investigated the correspondence between protein interactions and function for the yeast. We obtained the correlations among the set of proteins. Then these correlations are clustered using both the hierarchical and biclustering methods. The detailed analyses of proteins in each cluster were carried out by making use of their functional annotations. As a result, we found that some functional classes appear together in almost all biclusters. On the other hand, in hierarchical clustering, the dominancy of one functional class is observed. In the light of the clustering data, we have verified some interactions which were not identified as core interactions in DIP and also, we have characterized some functionally unknown proteins according to the interaction data and functional correlation. In brief, from interaction data to function, some correlated results are noticed about the relationship between interaction and function which might give clues about the organization of the proteins, also to predict new interactions and to characterize functions of unknown proteins.

Keywords: Pair-wise protein interactions, DIP database, functional correlations, biclustering.

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

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

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

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Authors: Costa, E.S., Borges, E.N.M., Afonso, M.M.

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The modeling of sound radiation is of fundamental importance for understanding the propagation of acoustic waves and, consequently, develop mechanisms for reducing acoustic noise. The propagation of acoustic waves, are involved in various phenomena such as radiation, absorption, transmission and reflection. The radiation is studied through the linear equation of the acoustic wave that is obtained through the equation for the Conservation of Momentum, equation of State and Continuity. From these equations, is the Helmholtz differential equation that describes the problem of acoustic radiation. In this paper we obtained the solution of the Helmholtz differential equation for an infinite cylinder in a pulsating through free and homogeneous. The analytical solution is implemented and the results are compared with the literature. A numerical formulation for this problem is obtained using the Boundary Element Method (BEM). This method has great power for solving certain acoustical problems in open field, compared to differential methods. BEM reduces the size of the problem, thereby simplifying the input data to be worked and reducing the computational time used.

Keywords: Acoustic radiation, boundary element

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Authors: S. H. Borghei, E. Teymourian, M. Mobin, G. M. Komaki, S. Sheikh

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Imperialist Competitive Algorithm (ICA) is a recent meta-heuristic method that is inspired by the social evolutions for solving NP-Hard problems. The ICA is a population-based algorithm which has achieved a great performance in comparison to other metaheuristics. This study is about developing enhanced ICA approach to solve the Cell Formation Problem (CFP) using sequence data. In addition to the conventional ICA, an enhanced version of ICA, namely EICA, applies local search techniques to add more intensification aptitude and embed the features of exploration and intensification more successfully. Suitable performance measures are used to compare the proposed algorithms with some other powerful solution approaches in the literature. In the same way, for checking the proficiency of algorithms, forty test problems are presented. Five benchmark problems have sequence data, and other ones are based on 0-1 matrices modified to sequence based problems. Computational results elucidate the efficiency of the EICA in solving CFP problems.

Keywords: Cell formation problem, Group technology, Imperialist competitive algorithm, Sequence data.

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Authors: Aditi Bhadra, Sutapa Choudhury, Daita Kar

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Flood zoning studies have become more efficient in recent years because of the availability of advanced computational facilities and use of Geographic Information Systems (GIS). In the present study, flood inundated areas were mapped using GIS for the Dikrong river basin of Arunachal Pradesh, India, corresponding to different return periods (2, 5, 25, 50, and 100 years). Further, the developed inundation maps corresponding to 25, 50, and 100 year return period floods were compared to corresponding maps developed by conventional methods as reported in the Brahmaputra Board Master Plan for Dikrong basin. It was found that, the average deviation of modelled flood inundation areas from reported map inundation areas is below 5% (4.52%). Therefore, it can be said that the modelled flood inundation areas matched satisfactorily with reported map inundation areas. Hence, GIS techniques were proved to be successful in extracting the flood inundation extent in a time and cost effective manner for the remotely located hilly basin of Dikrong, where conducting conventional surveys is very difficult.

Keywords: Flood hazard mapping, GIS, inundation area, return period.

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Authors: Lazim Abdullah, N orhanadiah Zam

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Increasing number of vehicles and lack of awareness among road users may lead to road accidents. However no specific literature was found to rank vehicles involved in accidents based on fuzzy variables of road users. This paper proposes a ranking of four selected motor vehicles involved in road accidents. Human and non-human factors that normally linked with road accidents are considered for ranking. The imprecision or vagueness inherent in the subjective assessment of the experts has led the application of fuzzy sets theory to deal with ranking problems. Data in form of linguistic variables were collected from three authorised personnel of three Malaysian Government agencies. The Multi Criteria Decision Making, fuzzy TOPSIS was applied in computational procedures. From the analysis, it shows that motorcycles vehicles yielded the highest closeness coefficient at 0.6225. A ranking can be drawn using the magnitude of closeness coefficient. It was indicated that the motorcycles recorded the first rank.

Keywords: Road accidents, decision making, closeness coefficient, fuzzy number

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Authors: P.Kumar

Abstract:

Fluids are used for heat transfer in many engineering equipments. Water, ethylene glycol and propylene glycol are some of the common heat transfer fluids. Over the years, in an attempt to reduce the size of the equipment and/or efficiency of the process, various techniques have been employed to improve the heat transfer rate of these fluids. Surface modification, use of inserts and increased fluid velocity are some examples of heat transfer enhancement techniques. Addition of milli or micro sized particles to the heat transfer fluid is another way of improving heat transfer rate. Though this looks simple, this method has practical problems such as high pressure loss, clogging and erosion of the material of construction. These problems can be overcome by using nanofluids, which is a dispersion of nanosized particles in a base fluid. Nanoparticles increase the thermal conductivity of the base fluid manifold which in turn increases the heat transfer rate. In this work, the heat transfer enhancement using aluminium oxide nanofluid has been studied by computational fluid dynamic modeling of the nanofluid flow adopting the single phase approach.

Keywords: Heat transfer intensification, nanofluid, CFD, friction factor

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Authors: Seong-Su Jeon, Seong-Jin Kim, Goon-Cherl Park

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In this study, direct numerical simulation for the bubble condensation in the subcooled boiling flow was performed. The main goal was to develop the CFD modeling for the bubble condensation and to evaluate the accuracy of the VOF model with the developed CFD modeling. CFD modeling for the bubble condensation was developed by modeling the source terms in the governing equations of VOF model using UDF. In the modeling, the amount of condensation was determined using the interfacial heat transfer coefficient obtained from the bubble velocity, liquid temperature and bubble diameter every time step. To evaluate the VOF model using the CFD modeling for the bubble condensation, CFD simulation results were compared with SNU experimental results such as bubble volume and shape, interfacial area, bubble diameter and bubble velocity. Simulation results predicted well the behavior of the actual condensing bubble. Therefore, it can be concluded that the VOF model using the CFD modeling for the bubble condensation will be a useful computational fluid dynamics tool for analyzing the behavior of the condensing bubble in a wide range of the subcooled boiling flow.

Keywords: Bubble condensation, CFD modeling, Subcooled boiling flow, VOF model.

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Authors: Piyali Chaudhuri, Peter T. Martin, Aleksandar Z. Stevanovic, Chongkai Zhu

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Loop detectors report traffic characteristics in real time. They are at the core of traffic control process. Intuitively, one would expect that as density of detection increases, so would the quality of estimates derived from detector data. However, as detector deployment increases, the associated operating and maintenance cost increases. Thus, traffic agencies often need to decide where to add new detectors and which detectors should continue receiving maintenance, given their resource constraints. This paper evaluates the effect of detector spacing on freeway travel time estimation. A freeway section (Interstate-15) in Salt Lake City metropolitan region is examined. The research reveals that travel time accuracy does not necessarily deteriorate with increased detector spacing. Rather, the actual location of detectors has far greater influence on the quality of travel time estimates. The study presents an innovative computational approach that delivers optimal detector locations through a process that relies on Genetic Algorithm formulation.

Keywords: Detector, Freeway, Genetic algorithm, Travel timeestimate.

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Authors: Hosein Falahaty, Hitoshi Gotoh, Abbas Khayyer

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Performance of a Hamiltonian based particle method in simulation of nonlinear structural dynamics is subjected to investigation in terms of stability and accuracy. The governing equation of motion is derived based on Hamilton's principle of least action, while the deformation gradient is obtained according to Weighted Least Square method. The hyper-elasticity models of Saint Venant-Kirchhoff and a compressible version similar to Mooney- Rivlin are engaged for the calculation of second Piola-Kirchhoff stress tensor, respectively. Stability along with accuracy of numerical model is verified by reproducing critical stress fields in static and dynamic responses. As the results, although performance of Hamiltonian based model is evaluated as being acceptable in dealing with intense extensional stress fields, however kinds of instabilities reveal in the case of violent collision which can be most likely attributed to zero energy singular modes.

Keywords: Hamilton's principle of least action, particle based method, hyper-elasticity, analysis of stability.

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Authors: Mohamed M. Saleh, Khalid S. Al-Hagla

Abstract:

By taking advantage of computer-s processing power, an unlimited number of variations and parameters in both spatial and environmental can be provided while following the same set of rules and constraints. This paper focuses on using the tools of parametric urbanism towards a more responsive environmental and sustainable urban morphology. It presents an understanding to Parametric Urban Comfort Envelope (PUCE) as an interactive computational assessment urban model. In addition, it investigates the applicability potentials of this model to generate an optimized urban form to Borg El Arab city (a new Egyptian Community) concerning the human comfort values specially wind and solar envelopes. Finally, this paper utilizes its application outcomes -both visual and numerical- to extend the designer-s limitations by decrease the concern of controlling and manipulation of geometry, and increase the designer-s awareness about the various potentials of using the parametric tools to create relationships that generate multiple geometric alternatives.

Keywords: Assessment model, human comfort, parametric urbanism, sustainable urban morphology.

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Authors: Makoto Nagatomo, Yasuo Uchida, Makoto Sakamoto, Tuo Zhang, Tatsuma Kurogi, Takao Ito, Tsunehiro Yoshinaga, Satoshi Ikeda, Masahiro Yokomichi, Hiroshi Furutani

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This paper presents a four-dimensional computational model, k-neighborhood template A-type three-dimensional bounded cellular acceptor (abbreviated as A-3BCA(k)), and discusses the hierarchical properties. An A-3BCA(k) is a four-dimensional automaton which consists of a pair of a converter and a configuration-reader. The former converts the given four-dimensional tape to the three- and two- dimensional configuration and the latter determines the acceptance or nonacceptance of given four-dimensional tape whether or not the derived two-dimensional configuration is accepted. We mainly investigate the difference of the accepting power based on the difference of the configuration-reader. It is shown that the difference of the accepting power of the configuration-reader tends to affect directly that of the A-3BCA(k) for the case when the converter is deterministic. On the other hand, results are not analogous for the nondeterministic case.

Keywords: Cellular acceptor, configuration-reader, converter, finite automaton, four-dimension, on-line tessellation acceptor, parallel/sequential array acceptor, turing machine.

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Authors: Ajoy Kumar Das, Prasenjit Dey

Abstract:

Heat transfer due to forced convection of copper water based nanofluid has been predicted by Artificial Neural network (ANN). The present nanofluid is formed by mixing copper nanoparticles in water and the volume fractions are considered here are 0% to 15% and the Reynolds number are kept constant at 100. The back propagation algorithm is used to train the network. The present ANN is trained by the input and output data which has been obtained from the numerical simulation, performed in finite volume based Computational Fluid Dynamics (CFD) commercial software Ansys Fluent. The numerical simulation based results are compared with the back propagation based ANN results. It is found that the forced convection heat transfer of water based nanofluid can be predicted correctly by ANN. It is also observed that the back propagation ANN can predict the heat transfer characteristics of nanofluid very quickly compared to standard CFD method.

Keywords: Forced convection, Square cylinder, nanofluid, neural network.

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Authors: R. K. Apalowo, D. Chronopoulos, V. Thierry

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A wave finite element (WFE) and finite element (FE) based computational method is presented by which the dispersion properties as well as the wave interaction coefficients for one-dimensional structural system can be predicted. The structural system is discretized as a system comprising a number of waveguides connected by a coupling joint. Uniform nodes are ensured at the interfaces of the coupling element with each waveguide. Then, equilibrium and continuity conditions are enforced at the interfaces. Wave propagation properties of each waveguide are calculated using the WFE method and the coupling element is modelled using the FE method. The scattering of waves through the coupling element, on which damage is modelled, is determined by coupling the FE and WFE models. Furthermore, the central aim is to evaluate the effect of pressurization on the wave dispersion and scattering characteristics of the prestressed structural system compared to that which is not prestressed. Numerical case studies are exhibited for two waveguides coupled through a coupling joint.

Keywords: Finite element, prestressed structures, wave finite element, wave propagation properties, wave scattering coefficients.

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Authors: Brajesh Kumar Jha, Neeru Adlakha, M. N. Mehta

Abstract:

Mathematical and computational modeling of calcium signalling in nerve cells has produced considerable insights into how the cells contracts with other cells under the variation of biophysical and physiological parameters. The modeling of calcium signaling in astrocytes has become more sophisticated. The modeling effort has provided insight to understand the cell contraction. Main objective of this work is to study the effect of voltage gated (Operated) calcium channel (VOC) on calcium profile in the form of advection diffusion equation. A mathematical model is developed in the form of advection diffusion equation for the calcium profile. The model incorporates the important physiological parameter like diffusion coefficient etc. Appropriate boundary conditions have been framed. Finite volume method is employed to solve the problem. A program has been developed using in MATLAB 7.5 for the entire problem and simulated on an AMD-Turion 32-bite machine to compute the numerical results.

Keywords: Ca2+ Profile, Advection Diffusion, VOC, FVM.

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Authors: C. De Lazzari, E. Del Prete, I. Genuini, F. Fedele

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Cardiovascular human simulator can be a useful tool in understanding complex physiopathological process in cardiocirculatory system. It can also be a useful tool in order to investigate the effects of different drugs on hemodynamic parameters. The aim of this work is to test the potentiality of our cardiovascular numerical simulator CARDIOSIM© in reproducing flow/pressure coronary waveforms in presence of two different drugs: Amlodipine (AMLO) and Adenosine (ADO). In particular a time-varying intramyocardial compression, assumed to be proportional to the left ventricular pressure, was related to the venous coronary compliances in order to study its effects on the coronary blood flow and the flow/pressure loop. Considering that coronary circulation dynamics is strongly interrelated with the mechanics of the left ventricular contraction, relaxation, and filling, the numerical model allowed to analyze the effects induced by the left ventricular pressure on the coronary flow.

Keywords: Cardiovascular system, Coronary blood flow, Hemodynamic, Numerical simulation.

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Authors: Adilson Elias Xavier, Otto Corrêa Rotunno Filho, Paulo Canedo de Magalhães

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This paper addresses the issue of automatic parameter estimation in conceptual rainfall-runoff (CRR) models. Due to threshold structures commonly occurring in CRR models, the associated mathematical optimization problems have the significant characteristic of being strongly non-differentiable. In order to face this enormous task, the resolution method proposed adopts a smoothing strategy using a special C∞ differentiable class function. The final estimation solution is obtained by solving a sequence of differentiable subproblems which gradually approach the original conceptual problem. The use of this technique, called Hyperbolic Smoothing Method (HSM), makes possible the application of the most powerful minimization algorithms, and also allows for the main difficulties presented by the original CRR problem to be overcome. A set of computational experiments is presented for the purpose of illustrating both the reliability and the efficiency of the proposed approach.

Keywords: Rainfall-runoff models, optimization procedure, automatic parameter calibration, hyperbolic smoothing method.

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Authors: A. Mostafa

Abstract:

This paper presents a numerical study on determination of ballistic limit velocity (V₅₀) of stainless steel 304 (SS 304) used in manufacturing security screens. The simulated ballistic impact tests were conducted on clamped sheets with different thicknesses using ABAQUS/Explicit nonlinear finite element (FE) package. The ballistic limit velocity was determined using three approaches, namely: numerical tests based on material properties, FE calculated residual velocities and FE calculated residual energies. Johnson-Cook plasticity and failure criterion were utilized to simulate the dynamic behaviour of the SS 304 under various strain rates, while the well-known Lambert-Jonas equation was used for the data regression for the residual velocity and energy model. Good agreement between the investigated numerical methods was achieved. Additionally, the dependence of the ballistic limit velocity on the sheet thickness was observed. The proposed approaches present viable and cost-effective assessment methods of the ballistic performance of SS 304, which will support the development of robust security screen systems.

Keywords: Ballistic velocity, stainless steel, numerical approaches, security screen.

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Authors: Khemanand Moheeput, Smita S. D. Goorah, Satish K. Ramchurn

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We report a computational study of the spreading dynamics of a viral infection in a complex (scale-free) network. The final epidemic size distribution (FESD) was found to be unimodal or bimodal depending on the value of the basic reproductive number R0 . The FESDs occurred on time-scales long enough for intermediate-time epidemic size distributions (IESDs) to be important for control measures. The usefulness of R0 for deciding on the timeliness and intensity of control measures was found to be limited by the multimodal nature of the IESDs and by its inability to inform on the speed at which the infection spreads through the population. A reduction of the transmission probability at the hubs of the scale-free network decreased the occurrence of the larger-sized epidemic events of the multimodal distributions. For effective epidemic control, an early reduction in transmission at the index cell and its neighbors was essential.

Keywords: Basic reproductive number, epidemic control, scalefree network, viral infection.

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Authors: J. Mlýnek, R. Srb

Abstract:

This article is focused on the calculation of heat radiation intensity and its optimization on an aluminum mould surface. The inside of the mould is sprinkled with a special powder and its outside is heated by infra heaters located above the mould surface, up to a temperature of 250°C. By this way artificial leathers in the car industry are produced (e. g. the artificial leather on a car dashboard). A mathematical model of heat radiation of infra heaters on a mould surface is described in this paper. This model allows us to calculate a heat-intensity radiation on the mould surface for the concrete location of infra heaters above the mould surface. It is necessary to ensure approximately the same heat intensity radiation on the mould surface by finding a suitable location for the infra heaters, and in this way the same material structure and color of artificial leather. In the model we have used a genetic algorithm to optimize the radiation intensity on the mould surface. Experimental measured values for the heat radiation intensity by a sensor in the surroundings of an infra heater are used for the calculation procedures. A computational procedure was programmed in language Matlab.

Keywords: Genetic algorithm, mathematical model of heat radiation, optimization of radiation intensity, software implementation

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Authors: Ibrahim Abdul Razak, Suhana Arshad, Nur Rafikah Razali, Azhar Abdul Rahman, Mohd Sukeri Mohd Yusof

Abstract:

Theoretical investigations are performed by DFT method of B3LYP/6-31G+(2d,p) and B3LYP/6-311G+(2d,p) basis sets for three carbonyl thiourea compounds, namely N-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide (Compound I), N-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide (Compound II) and 2,2-Diphenyl-N-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide (Compound III). Theoretical calculations for bond parameters, harmonic vibration frequencies and isotropic chemical shifts are in good agreement with the experimental results. The calculated molecular vibrations show good correlation values, which are 0.998 and 0.999 with the experimental data. The energy gap for compounds I, II and III calculated at B3LYP/6-31G+(2d,p) basis set are 4.455866117, 4.297495791 and 4.313550514 eV respectively, while for B3LYP/6-311G+(2d,p) basis set the energy gap obtained are 4.453689205 (Compound I), 4.311373603 (Compound II) and 4.315727426 (Compound III) eV.

Keywords: Crystallization, DFT studies, Spectroscopic Analysis, Thiourea.

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