Search results for: Molecular Dynamics

Authors: Dany Ng Cheong Vee, Preethee Nunkoo Gonpot, Noor-Ul-Hacq Sookia

Abstract:

In this paper, we consider the application of Extreme Value Theory as a risk measurement tool. The Value at Risk, for a set of indices, from six Stock Exchanges of Frontier markets is calculated using the Peaks over Threshold method and the performance of the model index-wise is evaluated using coverage tests and loss functions. Our results show that “fattailedness” alone of the data is not enough to justify the use of EVT as a VaR approach. The structure of the returns dynamics is also a determining factor. This approach works fine in markets which have had extremes occurring in the past thus making the model capable of coping with extremes coming up (Colombo, Tunisia and Zagreb Stock Exchanges). On the other hand, we find that indices with lower past than present volatility fail to adequately deal with future extremes (Mauritius and Kazakhstan). We also conclude that using EVT alone produces quite static VaR figures not reflecting the actual dynamics of the data.

Keywords: Extreme Value theory, Financial Crisis 2008, Frontier Markets, Value at Risk.

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Authors: Gonzalo Rubio, Eusebio Valero, Sven Lanzan

Abstract:

The design of a modern aircraft is based on three pillars: theoretical results, experimental test and computational simulations. As a results of this, Computational Fluid Dynamic (CFD) solvers are widely used in the aeronautical field. These solvers require the correct selection of many parameters in order to obtain successful results. Besides, the computational time spent in the simulation depends on the proper choice of these parameters. In this paper we create an expert system capable of making an accurate prediction of the number of iterations and time required for the convergence of a computational fluid dynamic (CFD) solver. Artificial neural network (ANN) has been used to design the expert system. It is shown that the developed expert system is capable of making an accurate prediction the number of iterations and time required for the convergence of a CFD solver.

Keywords: Artificial Neural Network, Computational Fluid Dynamics, Optimization

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Authors: Divya Rajavathsavai, Akhilesh Khapre, Basudeb Munshi

Abstract:

The computational fluid dynamics (CFD) study of stirred tank with the air-water interface are carried out in the presence of different types of the impeller and with or without baffles. A multiple reference frame (MRF) approach with the volume of fluid (VOF) method is used to capture the air-water interface. The RANS (Reynolds Averaged Navier-Stokes) equations with k-ε turbulence model are solved to predict the flow behavior of water and air phase which are treated as a different phases. The predicted results have shown that the VOF method is able to capture the interface in the unbaffled tank. While, the VOF method is showing an unfeasible results in the baffled tank with high rotational impeller speed. For continuous stirred tank, the air-water interface is disturbed by the inflow and the level of water is also increased with time.

Keywords: Computational Fluid Dynamics, stirred tank, airwater interface, multiple reference frame, volume of fluid, Reynolds Averaged Navier-Stokes equations.

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Authors: M. Omer Faruk, A. M. A. M. Zonaed Siddiki, M. Fazal Karim, Md. Masuduzzaman, S. Chowdhury, Md. Shafiqul Islam, M. Alamgir Hossain

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The dog tapeworms Echinococcus granulosus develop hydatid cysts in various organs in human and domestic animals worldwide including Bangladesh. The aim of this study was to identify and characterize the genotype of E. granulosus isolated from cattle using 12S rRNA and Cytochrome oxidase 1 (COX 1) genes. A total of 43 hydatid cyst samples were collected from 390 examined cattle samples derived from slaughterhouses. Among them, three cysts were fertile. Genomic DNA was extracted from germinal membrane and/or protoscoleces followed by PCR amplification of mitochondrial 12S rRNA and Cytochrome oxidase 1 gene fragments. The sequence data revealed existence of G1 (64.28%) and possible G3 (21.43%) genotypes for the first time in Bangladesh. The study indicates that common sheep strain G1 is the dominant subtype of E. granulosus in Chittagong region of Bangladesh. This will increase our understanding of the epidemiology of hydatidosis in the southern part of the country and will be useful to plan suitable control measures in the long run.

Keywords: Echinococcus granulosus, molecular characterization, cattle, Bangladesh.

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Authors: Bao Jinsong, Hu Xiaofeng, Wang Wei, Yu Dili, Jin Ye

Abstract:

The paper researched and presented a virtual simulation system based on a full-digital lunar terrain, integrated with kinematics and dynamics module as well as autonomous navigation simulation module. The system simulation models are established. Enabling technologies such as digital lunar surface module, kinematics and dynamics simulation, Autonomous navigation are investigated. A prototype system for lunar rover locomotion simulation is developed based on these technologies. Autonomous navigation is a key echnology in lunar rover system, but rarely involved in virtual simulation system. An autonomous navigation simulation module have been integrated in this prototype system, which was proved by the simulation results that the synthetic simulation and visualizing analysis system are established in the system, and the system can provide efficient support for research on the autonomous navigation of lunar rover.

Keywords: Lunar rover, virtual simulation, autonomous navigation, full-digital lunar terrain

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Authors: Hosein Falahaty, Hitoshi Gotoh, Abbas Khayyer

Abstract:

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: 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: Choeng-Ryul Choi, Chang-Nyung Kim, Tae-Hyub Hong

Abstract:

A numerical method is developed for simulating the motion of particles with arbitrary shapes in an effectively infinite or bounded viscous flow. The particle translational and angular motions are numerically investigated using a fluid-structure interaction (FSI) method based on the Arbitrary-Lagrangian-Eulerian (ALE) approach and the dynamic mesh method (smoothing and remeshing) in FLUENT ( ANSYS Inc., USA). Also, the effects of arbitrary shapes on the dynamics are studied using the FSI method which could be applied to the motions and deformations of a single blood cell and multiple blood cells, and the primary thrombogenesis caused by platelet aggregation. It is expected that, combined with a sophisticated large-scale computational technique, the simulation method will be useful for understanding the overall properties of blood flow from blood cellular level (microscopic) to the resulting rheological properties of blood as a mass (macroscopic).

Keywords: Blood Flow, Fluid-Structure Interaction (FSI), Micro-Channels, Arbitrary Shapes, Red Blood Cells (RBCs)

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Authors: Alexandros Lioulemes, Michail Theofanidis, Varun Kanal, Konstantinos Tsiakas, Maher Abujelala, Chris Collander, William B. Townsend, Angie Boisselle, Fillia Makedon

Abstract:

This paper presents a home-based robot-rehabilitation instrument, called ”MAGNI Dynamics”, that utilized a vision-based kinematic/dynamic module and an adaptive haptic feedback controller. The system is expected to provide personalized rehabilitation by adjusting its resistive and supportive behavior according to a fuzzy intelligence controller that acts as an inference system, which correlates the user’s performance to different stiffness factors. The vision module uses the Kinect’s skeletal tracking to monitor the user’s effort in an unobtrusive and safe way, by estimating the torque that affects the user’s arm. The system’s torque estimations are justified by capturing electromyographic data from primitive hand motions (Shoulder Abduction and Shoulder Forward Flexion). Moreover, we present and analyze how the Barrett WAM generates a force-field with a haptic controller to support or challenge the users. Experiments show that by shifting the proportional value, that corresponds to different stiffness factors of the haptic path, can potentially help the user to improve his/her motor skills. Finally, potential areas for future research are discussed, that address how a rehabilitation robotic framework may include multisensing data, to improve the user’s recovery process.

Keywords: Human-robot interaction, kinect, kinematics, dynamics, haptic control, rehabilitation robotics, artificial intelligence.

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Authors: Sh. Yasini, M. B. Naghibi-Sistani, A. Karimpour

Abstract:

This paper employs a new approach to regulate the blood glucose level of type I diabetic patient under an intensive insulin treatment. The closed-loop control scheme incorporates expert knowledge about treatment by using reinforcement learning theory to maintain the normoglycemic average of 80 mg/dl and the normal condition for free plasma insulin concentration in severe initial state. The insulin delivery rate is obtained off-line by using Qlearning algorithm, without requiring an explicit model of the environment dynamics. The implementation of the insulin delivery rate, therefore, requires simple function evaluation and minimal online computations. Controller performance is assessed in terms of its ability to reject the effect of meal disturbance and to overcome the variability in the glucose-insulin dynamics from patient to patient. Computer simulations are used to evaluate the effectiveness of the proposed technique and to show its superiority in controlling hyperglycemia over other existing algorithms

Keywords: Insulin Delivery rate, Q-learning algorithm, Reinforcement learning, Type I diabetes.

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Authors: Tomoaki Hashimoto

Abstract:

Recent technological advance has prompted significant interest in developing the control theory of quantum systems. Following the increasing interest in the control of quantum dynamics, this paper examines the control problem of Schrödinger equation because quantum dynamics is basically governed by Schrödinger equation. From the practical point of view, stochastic disturbances cannot be avoided in the implementation of control method for quantum systems. Thus, we consider here the robust stabilization problem of Schrödinger equation against stochastic disturbances. In this paper, we adopt model predictive control method in which control performance over a finite future is optimized with a performance index that has a moving initial and terminal time. The objective of this study is to derive the stability criterion for model predictive control of Schrödinger equation under stochastic disturbances.

Keywords: Optimal control, stochastic systems, quantum systems, stabilization.

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Authors: Malik I. Al-Amayreh, Mohammad I. Kilani, Ahmed S. Al-Salaymeh

Abstract:

This work presents a Computational Fluid Dynamics (CFD) simulation of a butterfly valve used to control the flow of combustible gas mixture in an industrial process setting.The work uses CFD simulation to analyze the flow characteristics in the vicinity of the valve, including the pressure distributions and Frequency spectrum of the pressure pulsations downstream the valves and the vortex shedding allow predicting the torque fluctuations acting on the valve shaft and the possibility of generating mechanical vibration and resonance.These fluctuations are due to aerodynamic torque resulting from fluid turbulence and vortex shedding in the valve vicinity. The valve analyzed is located in a pipeline between two opposing 90o elbows, which exposes the valve and the surrounding structure to the turbulence generated upstream and downstream the elbows at either end of the pipe.CFD simulations show that the best location for the valve from a vibration point of view is in the middle of the pipe joining the elbows.

Keywords: Butterfly Valve Vibration Analysis, Computational Fluid Dynamics, Fluid Flow Circuit Design, Fluid Mechanics.

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Authors: A. Iqbal, N. Khalid, S. Rafiq

Abstract:

The interrelationship between international stock markets has been a key study area among the financial market researchers for international portfolio management and risk measurement. The characteristics of security returns and their dynamics play a vital role in the financial market theory. This study is an attempt to find out the dynamic linkages among the equity market of USA and emerging markets of Pakistan and India using daily data covering the period of January 2003–December 2009. The study utilizes Johansen (Journal of Economic Dynamics and Control, 12, 1988) and Johansen and Juselius (Oxford Bulletin of Economics and Statistics, 52, 1990) cointegration procedure for long run relationship and Granger-causality tests based on Toda and Yamamoto (Journal of Econometrics, 66, 1995) methodology. No cointegration was found among stock markets of USA, Pakistan and India, while Granger-causality test showed the evidence of unidirectional causality running from New York stock exchange to Bombay and Karachi stock exchanges.

Keywords: Causality, Cointegration, India, Pakistan, Stock Markets, US.

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Authors: S. A. Hashemi, A. Khoshraftar

Abstract:

This paper presents the influence of the vertical seismic component on the non-linear dynamics analysis of three different structures. The subject structures were analyzed and designed according to recent codes. This paper considers three types of buildings: 5-, 10-, and 15-story buildings. The non-linear dynamics analysis of the structures with assuming elastic-perfectlyplastic behavior was performed using RAM PERFORM-3D software; the horizontal component was taken into consideration with and without the incorporation of the corresponding vertical component. Dynamic responses obtained for the horizontal component acting alone were compared with those obtained from the simultaneous application of both seismic components. The results show that the effect of the vertical component of ground motion may increase the axial load significantly in the interior columns and, consequently, the stories. The plastic mechanisms would be changed. The P-Delta effect is expected to increase. The punching base plate shear of the columns should be considered. Moreover, the vertical component increases the input energy when the structures exhibit inelastic behavior and are taller.

Keywords: Inelastic behavior, non-linear dynamic analysis, steel structure, vertical component.

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Authors: W. Koranuntachai, T. Chantrasmi, U. Nontakaew

Abstract:

Medical latex gloves are made from the latex compound in production lines. Latex dipping is considered one of the most important processes that directly affect the final product quality. In a continuous production line, a chain conveyor carries the formers through the process and partially submerges them into an open channel flow in a latex dipping tank. In general, the conveyor speed is determined by the desired production capacity, and the latex-dipping tank can then be designed accordingly. It is important to understand the flow behavior in the dipping tank in order to achieve high quality in the process. In this work, Computational Fluid Dynamics (CFD) was used to simulate the flow past an array of formers in a simplified latex dipping process. The computational results showed both the flow structure and the vortex generation between two formers. The maximum shear stress over the surface of the formers was used as the quality metric of the latex-dipping process when adjusting operation parameters.

Keywords: medical latex gloves, latex dipping, dipping tank, computational fluid dynamics

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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: Mohamed Hafez, Georg Hausner

Abstract:

The full length mitochondrial small subunit ribosomal (mt-rns) gene has been characterized for Ophiostoma novo-ulmi subspecies americana. The gene was also characterized for Ophiostoma ulmi and a group II intron was noted in the mt-rns gene of O. ulmi. The insertion in the mt-rns gene is at position S952 and it is a group IIB1 intron that encodes a double motif LAGLIDADG homing endonuclease from an open reading frame located within a loop of domain III. Secondary structure models for the mt-rns RNA of O. novo-ulmi subsp. americana and O. ulmi were generated to place the intron within the context of the ribosomal RNA. The in vivo splicing of the O.ul-mS952 group II intron was confirmed with reverse transcription-PCR. A survey of 182 strains of Dutch Elm Diseases causing agents showed that the mS952 intron was absent in what is considered to be the more aggressive species O. novo-ulmi but present in strains of the less aggressive O. ulmi. This observation suggests that the O.ul-mS952 intron can be used as a PCR-based molecular marker to discriminate between O. ulmi and O. novo-ulmi subsp. americana.

Keywords: Dutch Elm Disease, group II introns, mtDNA, species identification

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Authors: Muhammad F. Yaqub, Iqbal Gondal, Joarder Kamruzzaman

Abstract:

Occurrence of a multiple-points fault in machine operations could result in exhibiting complex fault signatures, which could result in lowering fault diagnosis accuracy. In this study, a multiple-points defect model (MPDM) is proposed which can simulate fault signature-s dynamics for n-points bearing faults. Furthermore, this study identifies that in case of multiple-points fault in the rotary machine, the location of the dominant component of defect frequency shifts depending upon the relative location of the fault points which could mislead the fault diagnostic model to inaccurate detections. Analytical and experimental results are presented to characterize and validate the variation in the dominant component of defect frequency. Based on envelop detection analysis, a modification is recommended in the existing fault diagnostic models to consider the multiples of defect frequency rather than only considering the frequency spectrum at the defect frequency in order to incorporate the impact of multiple points fault.

Keywords: Envelop detection, machine defect frequency, multiple faults, machine health monitoring.

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Authors: Neville Fernandes, Satish Shenoy B., Raghuvir Pai B., Rammohan S. Pai B, Shrikanth Rao.D

Abstract:

This research details a Computational Fluid Dynamics (CFD) approach to model fluid flow in a journal bearing with 8 equispaced semi-circular axial grooves. Water is used as the lubricant and is fed from one end of the bearing to the other, under pressure. The geometry of the bearing is modeled using a commercially available modeling software GAMBIT and the flow analysis is performed using a dedicated CFD analysis software FLUENT. The pressure distribution in the bearing clearance is obtained from FLUENT for various whirl ratios and is used to calculate the hydrodynamic force components in the radial and tangential direction of the bearing. These values along with the various whirl speeds can be used to do a regression analysis to determine the stiffness and damping coefficients. The values obtained are then compared with the stiffness and damping coefficients of a 3 Axial groove water lubricated journal bearing and those obtained from a FORTRAN code for a similar bearing.

Keywords: CFD, multiple axial groove, Water lubricated, Stiffness and Damping Coefficients.

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Authors: Oluyemi O. Awolusi, Abimbola M. Enitan, Sheena Kumari, Faizal Bux

Abstract:

Nitrification is essential to biological processes designed to remove ammonia and/or total nitrogen. It removes excess nitrogenous compound in wastewater which could be very toxic to the aquatic fauna or cause serious imbalance of such aquatic ecosystem. Efficient nitrification is linked to an in-depth knowledge of the structure and dynamics of the nitrifying community structure within the wastewater treatment systems. In this study, molecular technique was employed for characterizing the microbial structure of activated sludge [ammonia oxidizing bacteria (AOB) and nitrite oxidizing bacteria (NOB)] in a municipal wastewater treatment with intention of linking it to the plant efficiency. PCR based phylogenetic analysis was also carried out. The average operating and environmental parameters as well as specific nitrification rate of plant was investigated during the study. During the investigation the average temperature was 23±1.5oC. Other operational parameters such as mixed liquor suspended solids and chemical oxygen demand inversely correlated with ammonia removal. The dissolved oxygen level in the plant was constantly lower than the optimum (between 0.24 and 1.267 mg/l) during this study. The plant was treating wastewater with influent ammonia concentration of 31.69 and 24.47 mg/L. The influent flow rates (ML/Day) was 96.81 during period. The dominant nitrifiers include: Nitrosomonas spp. Nitrobacter spp. and Nitrospira spp. The AOB had correlation with nitrification efficiency and temperature. This study shows that the specific ammonia oxidizing rate and the specific nitrate formation rates can serve as good indicator of the plant overall nitrification performance.

Keywords: Ammonia monooxygenase α-subunit (amoA) gene, ammonia-oxidizing bacteria (AOB), nitrite-oxidizing bacteria (NOB), specific nitrification rate, PCR.

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Authors: M.T. Shervani-Tabar, M. Rezaee, E. Madadi Kandjani

Abstract:

Dynamics of a vapour bubble generated due to a high local energy input near a circular thin bronze plate in the absence of the buoyancy forces is numerically investigated in this paper. The bubble is generated near a thin bronze plate and during the growth and collapse of the bubble, it deforms the nearby plate. The Boundary Integral Equation Method is employed for numerical simulation of the problem. The fluid is assumed to be incompressible, irrotational and inviscid and the surface tension on the bubble boundary is neglected. Therefore the fluid flow around the vapour bubble can be assumed as a potential flow. Furthermore, the thin bronze plate is assumed to have perfectly plastic behaviour. Results show that the displacement of the circular thin bronze plate has considerable effect on the dynamics of its nearby vapour bubble. It is found that by decreasing the thickness of the thin bronze plate, the growth and collapse rate of the bubble becomes higher and consequently the lifetime of the bubble becomes shorter.

Keywords: Vapour Bubble, Thin Bronze Plate, Boundary Integral Equation Method.

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Authors: Liu Ying-jie, Lu Wen-bo, Peng Cheng-jian

Abstract:

With the development of the automotive technology and electric vehicle, the contribution of the wind noise on the interior noise becomes the main source of noise. The main transfer path which the exterior excitation is transmitted through is the greenhouse panels and side windows. Simulating the wind noise transmitted into the vehicle accurately in the early development stage can be very challenging. The basic methodologies of this study were based on the Lighthill analogy; the exterior flow field around a passenger car was computed using unsteady Computational Fluid Dynamics (CFD) firstly and then a Finite Element Method (FEM) was used to compute the interior acoustic response. The major findings of this study include: 1) The Sound Pressure Level (SPL) response at driver’s ear locations is mainly induced by the turbulence pressure fluctuation; 2) Peaks were found over the full frequency range. It is found that the methodology used in this study could predict the interior wind noise induced by the exterior aerodynamic excitation in industry.

Keywords: Wind noise, computational fluid dynamics, finite element method, passenger car.

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Authors: Rouhollah Ahmadi, Tatsuya Ueno, Tomio Okawa

Abstract:

Bubble generation was observed using a high-speed camera in subcooled flow boiling at low void fraction. Constant heat flux was applied on one side of an upward rectangular channel to make heated test channel. Water as a working fluid from high subcooling to near saturation temperature was injected step by step to investigate bubble behavior during void development. Experiments were performed in two different pressures condition close to 2bar and 4bar. It was observed that in high subcooling when boiling was commenced, bubble after nucleation departed its origin and slid beside heated surface. In an observation window mean release frequency of bubble fb,mean, nucleation site Ns and mean bubble volume Vb,mean in each step of experiments were measured to investigate wall vaporization rate. It was found that in proximity of PNVG vaporization rate was increased significantly in compare with condensation rate which remained in low value.

Keywords: Subcooled flow boiling, Bubble dynamics, Void fraction, Sliding bubble.

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Authors: Hamad N. Altalyan, Brian G. Jones, John Bradd

Abstract:

A comprehensive study was conducted to examine the removal of inorganic contaminants that exist in surface and groundwater in the Illawarra and Sydney regions. The ability of multi-walled carbon nanotubes (MWCNT), as a generation of membrane technology, was examined using a dead-end filtration cell setup. A set of ten compounds were examined in this study that represent the significant inorganic cations and anions commonly found in contaminated surface and groundwater. The performance of MWCNT buckypaper membranes in excluding anions was found to be better than that of its cation exclusion. This phenomenon can be attributed to the Donnan exclusion mechanism (charge repulsion mechanism). Furthermore, the results revealed that phosphate recorded the highest exclusion value reaching 69.2%, whereas the lowest rejection value was for potassium where no removal occurred (0%). The reason for this is that the molecular weight of phosphate (95.0 g/mol) is greater than the molecular weight of potassium (39.10 g/mol).

Keywords: Nanotechnology, buckypaper, carbon nanotube, CNT, multi-walled carbon nanotube, MWCNT, Botany Bay, Russell Vale.

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Authors: B. Aydinli, A. Caglar

Abstract:

Renewable energy sources have gained ultimate urgency due to the need of the preservation of the environment for a sustainable development. Pyrolysis is an ultimate promising process in the recycling and acquisition of precious chemicals from wastes. Here, the co-pyrolysis of hazelnut shell with ultra-high molecular weight polyethylene was carried out catalytically and noncatalytically at 500 and 650 ºC. Potassium dichromate was added in certain amounts to act as a catalyst. The liquid, solid and gas products quantities were determined by gravimetry. As a main result, remarkable increases in gasification were observed by using this catalyst for pure components and their blends especially at 650 ºC. The increase in gas product quantity was compensated mainly with the decreases in the solid products and additionally in some cases liquid products quantities. These observations may stem from mainly the activation of carbon-carbon bonds rather than carbon-hydrogen bonds via potassium dichromate. Also, the catalytic effect of potassium dichromate on HS: PEO and HS: UHMWPE co-pyrolysis was compared.

Keywords: Hazelnut shell, Polyethylene oxide, Potassium Dichromate, Pyrolysis, UHMWPE

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Authors: S. A. Hashemi, A. Khoshraftar

Abstract:

This paper presents the influence of the vertical seismic component on the non-linear dynamics analysis of three different structures. The subject structures were analyzed and designed according to recent codes. This paper considers three types of buildings: 5-, 10-, and 15-story buildings. The non-linear dynamics analysis of the structures with assuming elastic-perfectly-plastic behavior was performed using RAM PERFORM-3D software; the horizontal component was taken into consideration with and without the incorporation of the corresponding vertical component. Dynamic responses obtained for the horizontal component acting alone were compared with those obtained from the simultaneous application of both seismic components. The results show that the effect of the vertical component of ground motion may increase the axial load significantly in the interior columns and, consequently, the stories. The plastic mechanisms would be changed. The P-Delta effect is expected to increase. The punching base plate shear of the columns should be considered. Moreover, the vertical component increases the input energy when the structures exhibit inelastic behavior and are taller.

Keywords: Inelastic behavior, non-linear dynamic analysis, steel structure, vertical component.

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Authors: Thiyam Tamphasana Devi, Bimlesh Kumar

Abstract:

A Computational Fluid Dynamics (CFD) technique has been applied to simulate the gas-liquid phase in double stirred tank of Rushton impeller. Eulerian-Eulerian model was adopted to simulate the multiphase with standard correlation of Schiller and Naumann for drag co-efficient. The turbulence was modeled by using standard k-ε turbulence model. The present CFD model predicts flow pattern, local gas hold-up, and local specific area. It also predicts local kLa (mass transfer rate) for single impeller. The predicted results were compared with experimental and CFD results of published literature. The predicted results are slightly over predicted with the experimental results; however, it is in reasonable agreement with other simulated results of published literature.

Keywords: Eulerian-Eulerian, gas-hold up, gas-liquid phase, local mass transfer rate, local specific area, Rushton Impeller.

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Authors: Kimou Kouadio Prosper, Souleymane Oumtanaga, Tety Pierre, Adou Kablan Jérôme

Abstract:

A satured liquid is warmed until boiling in a parallelepipedic boiler. The heat is supplied in a liquid through the horizontal bottom of the boiler, the other walls being adiabatic. During the process of boiling, the liquid evaporates through its free surface by deforming it. This surface which subdivides the boiler into two regions occupied on both sides by the boiled liquid (broth) and its vapor which surmounts it. The broth occupying the region and its vapor the superior region. A two- fluids model is used to describe the dynamics of the broth, its vapor and their interface. In this model, the broth is treated as a monophasic fluid (homogeneous model) and form with its vapor adiphasic pseudo fluid (two-fluid model). Furthermore, the interface is treated as a zone of mixture characterized by superficial void fraction noted α* . The aim of this article is to describe the dynamics of the interface between the boiled fluid and its vapor within a boiler. The resolution of the problem allowed us to show the evolution of the broth and the level of the liquid.

Keywords: Two-fluid models, homogeneous model, interface, averaged equations, Jumps conditions, void fraction.

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Authors: Dhananjay C. Joshi, Jung-Hsin Lin

Abstract:

Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.

Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations

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Authors: S. M. Azad, H. Ghodsipour, F. Roshannafas

Abstract:

In recent years ‘technology management and policymaking’ is one of the most important problems in management science. In this field, different generations of innovation and technology management are presented which the earliest one is Innovation System (IS) approach. In a general classification, innovation systems are divided in to 4 approaches: technical, sectoral, regional, and national. There are many researches in relation to each of these approaches in different academic fields. Every approach has some benefits. If two or more approaches hybrid, their benefits would be combined. In addition, according to the sectoral structure of the governance model in Iran, in many sectors, such as information technology, the combination of three other approaches with sectoral approach is essential. Hence, in this paper, combining two IS approaches (technical and sectoral) and using system dynamics, a generic model is presented for a sample of software industry. As a complimentary point, this article is introducing a new hybrid approach called Techno-Sectoral Innovation System. This TSIS model is accomplished by Changing concepts of the ‘functions’-which came from Technological IS literature- and using them into sectoral system as measurable indicators.

Keywords: Innovation system, technology, techno-sectoral system, functional indicators, system dynamics.

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