Search results for: computational fluid dynamics (CFD)

Authors: Petia Georgieva, Sebastião Feyo de Azevedo

Abstract:

This paper is focused on issues of nonlinear dynamic process modeling and model-based predictive control of a fed-batch sugar crystallization process applying the concept of artificial neural networks as computational tools. The control objective is to force the operation into following optimal supersaturation trajectory. It is achieved by manipulating the feed flow rate of sugar liquor/syrup, considered as the control input. A feed forward neural network (FFNN) model of the process is first built as part of the controller structure to predict the process response over a specified (prediction) horizon. The predictions are supplied to an optimization procedure to determine the values of the control action over a specified (control) horizon that minimizes a predefined performance index. The control task is rather challenging due to the strong nonlinearity of the process dynamics and variations in the crystallization kinetics. However, the simulation results demonstrated smooth behavior of the control actions and satisfactory reference tracking.

Keywords: Feed forward neural network, process modelling, model predictive control, crystallization process.

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Authors: M. Hossein Ghadiri, Mohd Farid Mohamed, N. Lukman N. Ibrahim

Abstract:

Wind catchers are traditional natural ventilation systems attached to buildings in order to ventilate the indoor air. The most common type of wind catcher is four sided one which is capable to catch wind in all directions. CFD simulation is the perfect way to evaluate the wind catcher performance. The accuracy of CFD results is the issue of concern, so sensitivity analyses is crucial to find out the effect of different settings of CFD on results. This paper presents a series of 3D steady RANS simulations for a generic isolated four-sided wind catcher attached to a room subjected to wind direction ranging from 0º to 180º with an interval of 45º. The CFD simulations are validated with detailed wind tunnel experiments. The influence of an extensive range of computational parameters is explored in this paper, including the resolution of the computational grid, the size of the computational domain and the turbulence model. This study found that CFD simulation is a reliable method for wind catcher study, but it is less accurate in prediction of models with non perpendicular wind directions.

Keywords: Wind catcher, CFD, natural ventilation, sensitivity study.

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Authors: G. Toker, V. Bulatov, T. Kovalchuk, I. Schechter

Abstract:

Dynamics of laser radiation – metal target interaction in water at 1064 nm by applying Mach-Zehnder interference technique was studied. The mechanism of generating the well developed regime of evaporation of a metal surface and a spherical shock wave in water is proposed. Critical intensities of the NIR for the well developed evaporation of silver and gold targets were determined. Dynamics of shock waves was investigated for earlier (dozens) and later (hundreds) nanoseconds of time. Transparent expanding plasma-vapor-compressed water object was visualized and measured. The thickness of compressed layer of water and pressures behind the front of a shock wave for later time delays were obtained from the optical treatment of interferograms.

Keywords: laser, shock wave, metal target, underwater

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Authors: Zhang Lei, Liu Gaotong

Abstract:

The atomization effect is an important factor of the heat transfer of liquid nitrogen spray. In this paper, two kinds of internal-mixing twin-fluid atomizers were design. According to the fracture theory and fluid mechanics, the model is established to simulate atomization effect. The results showed that: Internal-mixing atomizers, with the liquid nitrogen atomization size from 20um to 40um, have superior performance. Y-jet atomizer spray speed is greater than Multi-jet atomizer, and it can improve the efficiency of heat transfer between the liquid nitrogen and its spray object. Multi-jet atomizer atomization cone angle is about 30°, Y-jet atomizer atomization cone angle is about 20°. During atomizer selection, the size of the heat transfer area should be considered.

Keywords: Atomization, two-phase flow, atomizer, heat transfer.

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Authors: Mitra Abtahi, Esmat Nasseri, Morteza Abodllahi

Abstract:

Introduction: Adequate hydration is necessary for proper physical and mental function. The aim of this study is to determine the consumption of water and all other beverages in children (8-13 years) and adolescents (14-17 years) in Tehran metropolitan city of Iran. Materials and Methods: In this cross-sectional study, 455 children (8-13 years) and 334 adolescents (14-17 years) were retrieved from north, center, and south of Tehran (18 schools). Instrument for data collection consisted of a “demographic and general health” questionnaire and a “7-day fluid record”. Data analyses were performed with SPSS 16 software. Results: The mean total consumption of fluids in school children was 1302 ± 500.6 ml/day. The highest mean intakes were observed for water (666 ± 398 ml/day), followed by milk (239 ± 183 ml/day), regular soft beverages (RSB) (188 ± 148 ml/day), and juices (60 ± 74 ml/day). Water, hot drinks (mainly tea) and soft drinks intake was significantly more in boys than girls. A significantly lower intake of milk and a higher intake of RSB and hot beverages (mainly tea) have been seen among adolescents compared to children. Conclusion: The most important finding is that mean fluid intake of children and adolescents does not meet international adequate intake references for water and fluids. This finding may suggest the necessity of development of the local references. To improve fluid intake habits of children and adolescents, relevant policy making and actions are warranted.

Keywords: Adolescents, beverages, children, water.

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Authors: C. A. Cortes-Quiroz, A. Azarbadegan, E. Moeendarbary

Abstract:

A new design of a planar passive T-micromixer with fin-shaped baffles in the mixing channel is presented. The mixing efficiency and the level of pressure loss in the channel have been investigated by numerical simulations in the range of Reynolds number (Re) 1 to 50. A Mixing index (Mi) has been defined to quantify the mixing efficiency, which results over 85% at both ends of the Re range, what demonstrates the micromixer can enhance mixing using the mechanisms of diffusion (lower Re) and convection (higher Re). Three geometric dimensions: radius of baffle, baffles pitch and height of the channel define the design parameters, and the mixing index and pressure loss are the performance parameters used to optimize the micromixer geometry with a multi-criteria optimization method. The Pareto front of designs with the optimum trade-offs, maximum mixing index with minimum pressure loss, is obtained. Experiments for qualitative and quantitative validation have been implemented.

Keywords: Computational fluids dynamics, fin-shaped baffle, mixing strategies, multi-objective optimization, passive micromixer.

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Authors: Taweechai Nuntawisuttiwong, Natasha Dejdumrong

Abstract:

Newton-Lagrange Interpolations are widely used in numerical analysis. However, it requires a quadratic computational time for their constructions. In computer aided geometric design (CAGD), there are some polynomial curves: Wang-Ball, DP and Dejdumrong curves, which have linear time complexity algorithms. Thus, the computational time for Newton-Lagrange Interpolations can be reduced by applying the algorithms of Wang-Ball, DP and Dejdumrong curves. In order to use Wang-Ball, DP and Dejdumrong algorithms, first, it is necessary to convert Newton-Lagrange polynomials into Wang-Ball, DP or Dejdumrong polynomials. In this work, the algorithms for converting from both uniform and non-uniform Newton-Lagrange polynomials into Wang-Ball, DP and Dejdumrong polynomials are investigated. Thus, the computational time for representing Newton-Lagrange polynomials can be reduced into linear complexity. In addition, the other utilizations of using CAGD curves to modify the Newton-Lagrange curves can be taken.

Keywords: Newton interpolation, Lagrange interpolation, linear complexity.

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Authors: Han-Taw Chen, Chung-Hou Lai, Tzu-Hsiang Lin, Ge-Jang He

Abstract:

This study applies the inverse method and three- dimensional CFD commercial software in conjunction with the experimental temperature data to investigate the heat transfer and fluid flow characteristics of the plate-fin heat sink in a closed rectangular enclosure for various values of fin height. The inverse method with the finite difference method and the experimental temperature data is applied to determine the heat transfer coefficient. The k-ε turbulence model is used to obtain the heat transfer and fluid flow characteristics within the fins. To validate the accuracy of the results obtained, the comparison of the average heat transfer coefficient is made. The calculated temperature at selected measurement locations on the plate-fin is also compared with experimental data.

Keywords: Inverse method, FLUENT, k-ε model, Heat transfer characteristics, Plate-fin heat sink.

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Authors: T. Y. Liu, C. H Lin., Y. M Ferng

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Wind energy is one of the clean renewable energy. However, the low frequency (20-200HZ) noise generated from the wind turbine blades, which bothers the residents, becomes the major problem to be developed. It is useful for predicting the aerodynamic noise by flow field and pressure distribution analysis on the wind turbine blades. Therefore, the main objective of this study is to use different turbulence models to analyze the flow field and pressure distributions of the wing blades.

Three-dimensional Computation Fluid Dynamics (CFD) simulation of the flow field was used to calculate the flow phenomena for the National Renewable Energy Laboratory (NREL) Phase VI horizontal axis wind turbine rotor. Two different flow cases with different wind speeds were investigated: 7m/s with 72rpm and 15m/s with 72rpm.

Four kinds of RANS-based turbulence models, Standard k-ε, Realizable k-ε, SST k-ω, and v2f, were used to predict and analyze the results in the present work. The results show that the predictions on pressure distributions with SST k-ω and v2f turbulence models have good agreements with experimental data.

Keywords: Horizontal Axis Wind Turbine, turbulence model, noise.

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Authors: Harpreet Kaur, Vinod Mishra, R. C. Mittal

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In this paper, we have proposed a Haar wavelet quasilinearization method to solve the well known Blasius equation. The method is based on the uniform Haar wavelet operational matrix defined over the interval [0, 1]. In this method, we have proposed the transformation for converting the problem on a fixed computational domain. The Blasius equation arises in the various boundary layer problems of hydrodynamics and in fluid mechanics of laminar viscous flows. Quasi-linearization is iterative process but our proposed technique gives excellent numerical results with quasilinearization for solving nonlinear differential equations without any iteration on selecting collocation points by Haar wavelets. We have solved Blasius equation for 1≤α ≤ 2 and the numerical results are compared with the available results in literature. Finally, we conclude that proposed method is a promising tool for solving the well known nonlinear Blasius equation.

Keywords: Boundary layer Blasius equation, collocation points, quasi-linearization process, uniform haar wavelets.

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Authors: J. Maděra, M. Jerman, R. Černý

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Temperature, relative humidity and overhygroscopic moisture fields in a sandstone wall provided with interior thermal insulation were calculated in order to assess the hygric performance of the retrofitted wall. Computational simulations showed that during the time period of 10 years which was subject of investigation no overhygroscopic moisture appeared in the analyzed building envelope so that it performed in a satisfactory way from the hygric point of view.

Keywords: Sandstone wall, interior thermal insulation, moisture, computational modeling.

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Authors: Spiros Mazarakis, George Matzavinos, Peter P. Groumpos

Abstract:

Economic models are complex dynamic systems with a lot of uncertainties and fuzzy data. Conventional modeling approaches using well known methods and techniques cannot provide realistic and satisfactory answers to today-s challenging economic problems. Qualitative modeling using fuzzy logic and intelligent system theories can be used to model macroeconomic models. Fuzzy Cognitive maps (FCM) is a new method been used to model the dynamic behavior of complex systems. For the first time FCMs and the Mamdani Model of Intelligent control is used to model macroeconomic models. This new model is referred as the Mamdani Rule-Based Fuzzy Cognitive Map (MBFCM) and provides the academic and research community with a new promising integrated advanced computational model. A new economic model is developed for a qualitative approach to Macroeconomic modeling. Fuzzy Controllers for such models are designed. Simulation results for an economic scenario are provided and extensively discussed

Keywords: Macroeconomic Models, Mamdani Rule Based- FCMs(MBFCMs), Qualitative and Dynamics System, Simulation.

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Authors: Toshinori Nawata

Abstract:

In this paper we consider a nonlinear feedback control called augmented automatic choosing control (AACC) for nonlinear systems with constrained input using weighted gradient optimization automatic choosing functions. Constant term which arises from linearization of a given nonlinear system is treated as a coefficient of a stable zero dynamics. Parameters of the control are suboptimally selected by maximizing the stable region in the sense of Lyapunov with the aid of a genetic algorithm. This approach is applied to a field excitation control problem of power system to demonstrate the splendidness of the AACC. Simulation results show that the new controller can improve performance remarkably well.

Keywords: Augmented automatic choosing control, nonlinear control, genetic algorithm, zero dynamics.

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Authors: Reza Hadjiaghaie Vafaie, Aysan Madanpasandi, Behrooz Zare Desari, Seyedmohammad Mousavi

Abstract:

High lamination in microchannel is one of the main challenges in on-chip components like micro total analyzer systems and lab-on-a-chips. Electro-osmotic force is highly effective in chip-scale. This research proposes a microfluidic-based micropump for low ionic strength solutions. Narrow microchannels are designed to generate an efficient electroosmotic flow near the walls. Microelectrodes are embedded in the lateral sides and actuated by low electric potential to generate pumping effect inside the channel. Based on the simulation study, the fluid velocity increases by increasing the electric potential amplitude. We achieve a net flow velocity of 100 µm/s, by applying +/- 2 V to the electrode structures. Our proposed low voltage design is of interest in conventional lab-on-a-chip applications.

Keywords: Integration, electrokinetic, on-chip, fluid pumping, microfluidic.

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Authors: P. K. Gupta

Abstract:

The present paper deals with the experimental and computational study of axial collapse of the aluminum metallic shells having combined tube-frusta geometry between two parallel plates. Shells were having bottom two third lengths as frusta and remaining top one third lengths as tube. Shells were compressed to recognize their modes of collapse and associated energy absorption capability. An axisymmetric Finite Element computational model of collapse process is presented and analysed, using a non-linear FE code FORGE2. Six noded isoparametric triangular elements were used to discretize the deforming shell. The material of the shells was idealized as rigid visco-plastic. To validate the computational model experimental and computed results of the deformed shapes and their corresponding load-compression and energy-compression curves were compared. With the help of the obtained results progress of the axisymmetric mode of collapse has been presented, analysed and discussed.

Keywords: Axial compression, crashworthiness, energy absorption, FORGE2, metallic shells.

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Authors: Inta Volodko, Valentina Koliskina

Abstract:

Linear stability of wake-shear layers in two-phase shallow flows is analyzed in the present paper. Stability analysis is based on two-dimensional shallow water equations. It is assumed that the fluid contains uniformly distributed solid particles. No dynamic interaction between the carrier fluid and particles is expected in the initial moment. Linear stability curves are obtained for different values of the particle loading parameter, the velocity ratio and the velocity deficit. It is shown that the increase in the velocity ratio destabilizes the flow. The particle loading parameter has a stabilizing effect on the flow. The role of the velocity deficit is also destabilizing: the increase of the velocity deficit leads to less stable flow.

Keywords: Linear stability, Shallow flows, Wake-shear flows.

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Authors: Chungkuk Jin, Moo-Hyun Kim, HeonYong Kang

Abstract:

A surface riding (SR) wave energy converter (WEC) is designed and its feasibility and performance are numerically simulated by the author-developed floater-mooring-magnet-electromagnetics fully-coupled dynamic analysis computer program. The biggest advantage of the SR-WEC is that the performance is equally effective even in low sea states and its structural robustness is greatly improved by simply riding along the wave surface compared to other existing WECs. By the numerical simulations and actuator testing, it is clearly demonstrated that the concept works and through the optimization process, its efficiency can be improved.

Keywords: Computer simulation, electromagnetics fully-coupled dynamics, floater-mooring-magnet, optimization, performance evaluation, surface riding, wave energy converter.

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Authors: Rana Khalid Naeem, Waseem Ahmed Khan, Muhammad Akhtar, Asif Mansoor

Abstract:

The Navier Stokes Equations (NSE) for an incompressible fluid of variable viscosity in the presence of an unknown external force in Von-Mises system x,\ are transformed, and some new exact solutions for a class of flows characterized by equation y f x a\b for an arbitrary state equation are determined, where f x is a function, \ the stream function, a z 0 and b are the arbitrary constants. In three, out of four cases, the function f x is arbitrary, and the solutions are the solutions of the flow equations for all the flows characterized by the equationy f x a\b. Streamline patterns for some forms of f x in unbounded and bounded regions are given.

Keywords: Bounded and unbounded region, Exact solution, Navier Stokes equations, Streamline pattern, Variable viscosity, Von- Mises system

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Authors: Saeed Mian Qaisar, Laurent Fesquet, Marc Renaudin

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Mostly the systems are dealing with time varying signals. The Power efficiency can be achieved by adapting the system activity according to the input signal variations. In this context an adaptive rate filtering technique, based on the level crossing sampling is devised. It adapts the sampling frequency and the filter order by following the input signal local variations. Thus, it correlates the processing activity with the signal variations. Interpolation is required in the proposed technique. A drastic reduction in the interpolation error is achieved by employing the symmetry during the interpolation process. Processing error of the proposed technique is calculated. The computational complexity of the proposed filtering technique is deduced and compared to the classical one. Results promise a significant gain of the computational efficiency and hence of the power consumption.

Keywords: Level Crossing Sampling, Activity Selection, Rate Filtering, Computational Complexity, Interpolation Error.

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Authors: Ekprasit Promtun, Sridhar Seshagiri

Abstract:

This paper considers the control of the longitudinal flight dynamics of an F-16 aircraft. The primary design objective is model-following of the pitch rate q, which is the preferred system for aircraft approach and landing. Regulation of the aircraft velocity V (or the Mach-hold autopilot) is also considered, but as a secondary objective. The problem is challenging because the system is nonlinear, and also non-affine in the input. A sliding mode controller is designed for the pitch rate, that exploits the modal decomposition of the linearized dynamics into its short-period and phugoid approximations. The inherent robustness of the SMC design provides a convenient way to design controllers without gain scheduling, with a steady-state response that is comparable to that of a conventional polynomial based gain-scheduled approach with integral control, but with improved transient performance. Integral action is introduced in the sliding mode design using the recently developed technique of “conditional integrators", and it is shown that robust regulation is achieved with asymptotically constant exogenous signals, without degrading the transient response. Through extensive simulation on the nonlinear multiple-input multiple-output (MIMO) longitudinal model of the F-16 aircraft, it is shown that the conditional integrator design outperforms the one based on the conventional linear control, without requiring any scheduling.

Keywords: Sliding-mode Control, Integral Control, Model Following, F-16 Longitudinal Dynamics, Pitch-Rate Control.

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Authors: Guang Zeng, Jin Huang, Zicai Li

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In this paper, we research the standard 13-point difference schemes for solving the biharmonic equation. Heuristic method is applied to judging the stability of multi-level difference schemes of the biharmonic equation. It is showed that the standard 13-point difference schemes are stable.

Keywords: Finite-difference equation, computational stability, hirt method.

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Authors: B. Navayineya, J. Vaseghi Amiri, M. Alijani Ardeshir

Abstract:

Hydrodynamic pressures acting on upstream of concrete dams during an earthquake are an important factor in designing and assessing the safety of these structures in Earthquake regions. Due to inherent complexities, assessing exact hydrodynamic pressure is only feasible for problems with simple geometry. In this research, the governing equation of concrete gravity dam reservoirs with effect of fluid viscosity in frequency domain is solved and then compared with that in which viscosity is assumed zero. The results show that viscosity influences the reservoir-s natural frequency. In excitation frequencies near the reservoir's natural frequencies, hydrodynamic pressure has a considerable difference in compare to the results of non-viscose fluid.

Keywords: Closed form solution, concrete dams reservoir, viscosity, dynamic loads, hydrodynamic pressure.

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Authors: Ornst J., Voracek J., Allouache A., Allouache D.

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Lack of resources for road infrastructure financing is a problem that currently affects not only eastern European economies but also many other countries especially in relation to the impact of global financial crisis. In this context, we are talking about the socalled short-investment problem as a result of long-term lack of investment resources. Based on an analysis of road infrastructure financing in the Czech Republic this article points out at weaknesses of current system and proposes a long-term planning methodology supported by system approach. Within this methodology and using created system dynamic model the article predicts the development of short-investment problem in the Country and in reaction on the downward trend of certain sources the article presents various scenarios resulting from the change of the structure of financial sources. In the discussion the article focuses more closely on the possibility of introduction of tax on vehicles instead of taxes with declining revenue streams and estimates its approximate price in relation to reaching various solutions of short-investment in time.

Keywords: Road financing, road infrastructure development, system dynamics

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Authors: T. K. Das, N. Senapatil, R. K. Dhal

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An unsteady mixed free convection MHD flow of elastic-viscous incompressible fluid past an infinite vertical porous flat plate is investigated when the presence of heat Source/sink, temperature and concentration are assumed to be oscillating with time and hall effect. The governing equations are solved by complex variable technique. The expressions for the velocity field, temperature field and species concentration are demonstrated in graphs. The effects of the Prandtl number, the Grashof number, modified Grashof number, the Schimidt number, the Hall parameter, Elastic parameter & Magnetic parameter are discussed.

Keywords: MHD, Mixed convective, Elastic-viscous incompressible, rotational, heat transfer, mass transfer, suction and injection.

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Authors: Huei Chu Weng, Chien-Hung Liu

Abstract:

This paper presents a study on the effect of second-order slip and jump on forced convection through a long isothermally heated or cooled planar microchannel. The fully developed solutions of thermal flow fields are analytically obtained on the basis of the second-order Maxwell-Burnett slip and Smoluchowski jump boundary conditions. Results reveal that the second-order term in the Karniadakis slip boundary condition is found to contribute a negative velocity slip and then to lead to a higher pressure drop as well as a higher fluid temperature for the heated-wall case or to a lower fluid temperature for the cooled-wall case. These findings are contrary to predictions made by the Deissler model. In addition, the role of second-order slip becomes more significant when the Knudsen number increases.

Keywords: Microfluidics, forced convection, gas rarefaction, second-order boundary conditions.

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Authors: Young-Seok Choi

Abstract:

We present a refined multiscale Shannon entropy for analyzing electroencephalogram (EEG), which reflects the underlying dynamics of EEG over multiple scales. The rationale behind this method is that neurological signals such as EEG possess distinct dynamics over different spectral modes. To deal with the nonlinear and nonstationary nature of EEG, the recently developed empirical mode decomposition (EMD) is incorporated, allowing a decomposition of EEG into its inherent spectral components, referred to as intrinsic mode functions (IMFs). By calculating the Shannon entropy of IMFs in a time-dependent manner and summing them over adaptive multiple scales, it results in an adaptive subscale entropy measure of EEG. Simulation and experimental results show that the proposed entropy properly reveals the dynamical changes over multiple scales.

Keywords: EEG, subscale entropy, Empirical mode decomposition, Intrinsic mode function.

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Authors: Ganesh Kothapalli, Mohammed Y. Hassan

Abstract:

The hydraulic actuated excavator, being a non-linear mobile machine, encounters many uncertainties. There are uncertainties in the hydraulic system in addition to the uncertain nature of the load. The simulation results obtained in this study show that there is a need for intelligent control of such machines and in particular interval type-2 fuzzy controller is most suitable for minimizing the position error of a typical excavator-s bucket under load variations. We consider the model parameter uncertainties such as hydraulic fluid leakage and friction. These are uncertainties which also depend up on the temperature and alter bulk modulus and viscosity of the hydraulic fluid. Such uncertainties together with the load variations cause chattering of the bucket position. The interval type-2 fuzzy controller effectively eliminates the chattering and manages to control the end-effecter (bucket) position with positional error in the order of few millimeters.

Keywords: excavator, fuzzy control, hydraulics, mining, type-2

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Authors: Luís Farinha, João J. Ferreira

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Nowadays innovation represents a challenge crucial to remaining globally competitive. This study seeks to develop a conceptual model aimed at measuring the dynamic interactions of the triple/quadruple helix, balancing innovation and entrepreneurship initiatives as pillars of regional competitiveness – the Regional Helix Scoreboard (RHS). To this aim, different strands of literature are identified according to their focus on specific regional competitiveness governance mechanisms. We put forward an overview of the state-of-the-art of research and is duly assessed in order to develop and propose a framework of analysis that enables an integrated approach in the context of collaborative dynamics. We conclude by presenting the RHS for the study of regional competitiveness dynamics, which integrates and associates different backgrounds and identifies a number of key performance indicators for research challenges.

Keywords: Entrepreneurship, KPIs, innovation, performance measurement, regional competitiveness, regional helix scoreboard.

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Authors: Nandy Putra, Atrialdipa Duanovsah, Kristofer Haliansyah

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The aim of this research is to design a LHP with low thermal resistance and low condenser temperature. A Self-designed cascade LHP was tested by using biomaterial, sintered copper powder, and aluminum screen mesh as the wick. Using pure water as the working fluid for the first level of the LHP and 96% alcohol as the working fluid for the second level of LHP, the experiments were run with 10W, 20W, and 30W heat input. Experimental result shows that the usage of biomaterial as wick could reduce more temperature at evaporator than by using sintered copper powder and screen mesh up to 22.63% and 37.41% respectively. The lowest thermal resistance occurred during the usage of biomaterial as wick of heat pipe, which is 2.06 ^oC/W. The usage of cascade system could be applied to LHP to reduce the temperature at condenser and reduced thermal resistance up to 17.6%.

Keywords: Biomaterial, cascade loop heat pipe, screen mesh, sintered Cu.

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Authors: Wenjun Zhang, Yunqing Du, Steven W. Cranford, Ming L. Wang

Abstract:

The beginning of 21st century has witnessed new advancements in the design and use of new materials for biosensing applications, from nano to macro, protein to tissue. Traditional analytical methods lack a complete toolset to describe the complexities introduced by living systems, pathological relations, discrete hierarchical materials, cross-phase interactions, and structure-property dependencies. Materiomics – via systematic molecular dynamics (MD) simulation – can provide structureprocess- property relations by using a materials science approach linking mechanisms across scales and enables oriented biosensor design. With this approach, DNA biosensors can be utilized to detect disease biomarkers present in individuals’ breath such as acetone for diabetes. Our wireless sensor array based on single-stranded DNA (ssDNA)-decorated single-walled carbon nanotubes (SWNT) has successfully detected trace amount of various chemicals in vapor differentiated by pattern recognition. Here, we present how MD simulation can revolutionize the way of design and screening of DNA aptamers for targeting biomarkers related to oral diseases and oral health monitoring. It demonstrates great potential to be utilized to build a library of DNDA sequences for reliable detection of several biomarkers of one specific disease, and as well provides a new methodology of creating, designing, and applying of biosensors.

Keywords: Biosensor, design, DNA, molecular dynamics simulation.

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