Search results for: Simulation of agent societies

Authors: Nahid Ghasemi, Morteza Sohrabi, Yasan Soleymani

Abstract:

The quantified residence time distribution (RTD) provides a numerical characterization of mixing in a reactor, thus allowing the process engineer to better understand mixing performance of the reactor.This paper discusses computational studies to investigate flow patterns in a two impinging streams cyclone reactor(TISCR) . Flow in the reactor was modeled with computational fluid dynamics (CFD). Utilizing the Eulerian- Lagrangian approach, implemented in FLUENT (V6.3.22), particle trajectories were obtained by solving the particle force balance equations. From simulation results obtained at different Δts, the mean residence time (tm) and the mean square deviation (σ2) were calculated. a good agreement can be observed between predicted and experimental data. Simulation results indicate that the behavior of complex reactor systems can be predicted using the CFD technique with minimum data requirement for validation.

Keywords: Impinging streams reactor, Residence timedistribution, CFD, Eulerian-Lagrangian approach

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Authors: Miroslav Popelka, Jakub Nožička

Abstract:

In this paper we deal with using Lego Mindstorms in simulation of robotic systems with respect to cost reduction. Lego Mindstorms kit contains broad variety of hardware components which are required to simulate, program and test the robotics systems in practice. Algorithm programming went in development environment supplied together with Lego kit as in programming language C# as well. Algorithm following the line, which we dealt with in this paper, uses theoretical findings from area of controlling circuits. PID controller has been chosen as controlling circuit whose individual components were experimentally adjusted for optimal motion of robot tracking the line. Data which are determined to process by algorithm are collected by sensors which scan the interface between black and white surfaces followed by robot. Based on discovered facts Lego Mindstorms can be considered for low-cost and capable kit to simulate real robotics systems.

Keywords: LEGO Mindstorms, PID controller, low-cost robotics systems, line follower, sensors, programming language C#, EV3 Home Edition Software.

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Authors: Aidil Azwin Zainul Abidin, Farrukh Hafiz Nagi, Agileswari K. Ramasamy, Izham Zainal Abidin

Abstract:

In power system protection, the need to know the load current together with the fault level detected by a relay is important. This is due to the fact that the relay is required to isolate the equipment being protected if a fault is present and keep the breaker associated with it closed if the current level is lower than the maximum load level. This is not an issue for a radial system. This is not the same however in a looped power system. In a looped power system, the isolation of an equipment system will contribute to a topology change. The change in the power system topology will then influence or change the maximum load current and the fault level detected by each relay. In this paper, a method of data collection for changing topology using matlab and sim-power will be presented. The method will take into consideration the change in topology and collect data for each possible topology.

Keywords: Topology Change, Power System Protection, Power System simulation, Matlab, Sim-power.

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Authors: S. A. Gawish, F. A. Khalifa, R. M. Mostafa

Abstract:

This paper presents Simulation and experimental study aimed at investigating the effectiveness of an adaptive artificial neural network stabilizer on enhancing the damping torque of a synchronous generator. For this purpose, a power system comprising a synchronous generator feeding a large power system through a short tie line is considered. The proposed adaptive neuro-control system consists of two multi-layered feed forward neural networks, which work as a plant model identifier and a controller. It generates supplementary control signals to be utilized by conventional controllers. The details of the interfacing circuits, sensors and transducers, which have been designed and built for use in tests, are presented. The synchronous generator is tested to investigate the effect of tuning a Power System Stabilizer (PSS) on its dynamic stability. The obtained simulation and experimental results verify the basic theoretical concepts.

Keywords: Adaptive artificial neural network, power system stabilizer, synchronous generator.

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Authors: Akbar F. Moghaddam, Magnus Lange, Omid Mirmotahari, Mats Høvin

Abstract:

To improve HSE standards, oil and gas industries are interested in using remotely controlled and autonomous robots instead of human workers on offshore platforms. In addition to earlier reason this strategy would increase potential revenue, efficient usage of work experts and even would allow operations in more remote areas. This article is the presentation of a custom climbing robot, called Walloid, designed for offshore platform topside automation. This 4 arms climbing robot with grippers is an ongoing project at University of Oslo.

Keywords: Climbing Robots, Mobile Robots, Offshore Robotics, Offshore Platforms, Automation, Inspection, Monitoring.

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Authors: Dabiri Y, Najarian S, Eslami M R., Zahedi S, Moser D, Shirzad E, Allami M

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The effect of muscle loss due to transfemoral amputation, on energy expenditure of hip joint and individual residual muscles was simulated. During swing phase of gait, with each muscle as an ideal force generator, the lower extremity was modeled as a two-degree of freedom linkage, for which hip and knee were joints. According to results, muscle loss will not lead to higher energy expenditure of hip joint, as long as other parameters of limb remain unaffected. This finding maybe due to the role of biarticular muscles in hip and knee joints motion. Moreover, if hip flexors are removed from the residual limb, residual flexors, and if hip extensors are removed, residual extensors will do more work. In line with the common practice in transfemoral amputation, this result demonstrates during transfemoral amputation, it is important to maintain the length of residual limb as much as possible.

Keywords: Amputation Level, Simulation, Transfemoral Amputee.

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Authors: Z. Veselý, M. Honner, J. Mach

Abstract:

The aim of the performed work is to establish the 2D and 3D model of direct unsteady task of sample heat treatment by moving source employing computer model on the basis of finite element method. Complex boundary condition on heat loaded sample surface is the essential feature of the task. Computer model describes heat treatment of the sample during heat source movement over the sample surface. It is started from 2D task of sample cross section as a basic model. Possibilities of extension from 2D to 3D task are discussed. The effect of the addition of third model dimension on temperature distribution in the sample is showed. Comparison of various model parameters on the sample temperatures is observed. Influence of heat source motion on the depth of material heat treatment is shown for several velocities of the movement. Presented computer model is prepared for the utilization in laser treatment of machine parts.

Keywords: Computer simulation, unsteady model, heat treatment, complex boundary condition, moving heat source.

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Authors: M. S. Alrubaih, M. F. M. Zain, N. L. N. Ibrahim, M.A. Alghoul, K. I. Ben Sauod

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Careful design and selection of daylighting systems can greatly help in reducing not only artificial lighting use, but also decrease cooling energy consumption and, therefore, potential for downsizing air-conditioning systems. This paper aims to evaluate the energy performance of two types of top-light daylighting systems due to the integration of daylight together with artificial lighting in an existing examinaton hall in University Kebangsaan Malaysia, based on a hot and humid climate. Computer simulation models have been created for building case study (base case) and the two types of toplight daylighting designs for building energy performance evaluation using the VisualDOE 4.0 building energy simulation program. The finding revealed that daylighting through top-light systems is a very beneficial design strategy in reducing annual lighting energy consumption and the overall total annual energy consumption.

Keywords: Academic buildings, Daylighting, Top-lighting, Energy savings, Tropical Climate

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Authors: Abdulrahman M. Homadi

Abstract:

As a great source of renewable energy, solar energy is considered to be one of the most important in the world, since it will be one of solutions cover the energy shortage in the future. Photovoltaic (PV) is the most popular and widely used among solar energy technologies. However, PV efficiency is fairly low and remains somewhat expensive. High temperature has a negative effect on PV efficiency and cooling system for these panels is vital, especially in warm weather conditions. This paper presents the results of a simulation study carried out on silicon solar cells to assess the effects of elevation on enhancing the efficiency of solar panels. The study included four different terrains. The study also took into account the direction of the wind hitting the solar panels. To ensure the simulation mimics reality, six silicon solar panels are designed in two columns and three rows, facing to the south at an angle of 30 ^o. The elevations are assumed to change from 10 meters to 200 meters. The results show that maximum increase in efficiency occurs when the wind comes from the north, hitting the back of the panels.

Keywords: Solar panels, elevation, wind direction, efficiency.

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Authors: Juárez-Luna Gelacio, Ayala Gustavo, Retama-Velasco Jaime

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This paper shows the advantages of the material failure process simulation by improve finite elements with embedded discontinuities, using a new definition of traction vector, dependent on the discontinuity length and the angle. Particularly, two families of this kind of elements are compared: kinematically optimal symmetric and statically and kinematically optimal non-symmetric. The constitutive model to describe the behavior of the material in the symmetric formulation is a traction-displacement jump relationship equipped with softening after reaching the failure surface.

To show the validity of this symmetric formulation, representative numerical examples illustrating the performance of the proposed formulation are presented. It is shown that the non-symmetric family may over or underestimate the energy required to create a discontinuity, as this effect is related with the total length of the discontinuity, fact that is not noticed when the discontinuity path is a straight line.

Keywords: Variational formulation, strong discontinuity, embedded discontinuities, strain localization.

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Authors: M. S. Gaafar, S. Y. Marzouk, I. S. Mahmoud, S. Al-Zobaidi

Abstract:

Makishima and Mackenzie model was used to simulation of acoustic properties (longitudinal and shear ultrasonic wave velocities, elastic moduli theoretically for many tellurite and borate glasses. The model was proposed mainly depending on the values of the experimentally measured density, which are obtained before. In this search work, we are trying to obtain the values of densities of amorphous glasses (as the density depends on the geometry of the network structure of these glasses). In addition, the problem of simulating the slope of linear regression between the experimentally determined bulk modulus and the product of packing density and experimental Young's modulus, were solved in this search work. The results showed good agreement between the experimentally measured values of densities and both ultrasonic wave velocities, and those theoretically determined.

Keywords: Glasses, ultrasonic wave velocities, elastic moduli, Makishima and Mackenzie model.

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Authors: Zoran Nikoloski, Narsingh Deo, Ludek Kucera

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Despite the recent surge of research in control of worm propagation, currently, there is no effective defense system against such cyber attacks. We first design a distributed detection architecture called Detection via Distributed Blackholes (DDBH). Our novel detection mechanism could be implemented via virtual honeypots or honeynets. Simulation results show that a worm can be detected with virtual honeypots on only 3% of the nodes. Moreover, the worm is detected when less than 1.5% of the nodes are infected. We then develop two control strategies: (1) optimal dynamic trafficblocking, for which we determine the condition that guarantees minimum number of removed nodes when the worm is contained and (2) predictive dynamic traffic-blocking–a realistic deployment of the optimal strategy on scale-free graphs. The predictive dynamic traffic-blocking, coupled with the DDBH, ensures that more than 40% of the network is unaffected by the propagation at the time when the worm is contained.

Keywords: Network worms, distributed detection, optimaltraffic-blocking, individual-based simulation.

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Authors: Rahib Hidayat Abiyev

Abstract:

This paper presents the development of recurrent neural network based fuzzy inference system for identification and control of dynamic nonlinear plant. The structure and algorithms of fuzzy system based on recurrent neural network are described. To train unknown parameters of the system the supervised learning algorithm is used. As a result of learning, the rules of neuro-fuzzy system are formed. The neuro-fuzzy system is used for the identification and control of nonlinear dynamic plant. The simulation results of identification and control systems based on recurrent neuro-fuzzy network are compared with the simulation results of other neural systems. It is found that the recurrent neuro-fuzzy based system has better performance than the others.

Keywords: Fuzzy logic, neural network, neuro-fuzzy system, control system.

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Authors: Kati Kõrbe Kaare, Ott Koppel

Abstract:

Transport and logistics are the lifeblood of societies. There is a strong correlation between overall growth in economic activity and growth of transport. The movement of people and goods has the potential for creating wealth and prosperity, therefore the state of transportation infrastructure and especially the condition of road networks is often a governmental priority. The design, building and maintenance of national roads constitute a substantial share of government budgets. Taking into account the magnitude and importance of these investments, the expedience, efficiency and sustainability of these projects are of great public interest. This paper provides an overview of supply chain management principles applied to road construction. In addition, road construction performance measurement systems and ICT solutions are discussed. Road construction in Estonia is analyzed. The authors propose the development of a national performance measurement system for road construction.

Keywords: ICT in road construction, key performance indicators, quality performance measurement, road construction supply chain.

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Authors: Rahul Malhotra

Abstract:

The field of wireless sensor networks (WSN) engages a lot of associates in the research community as an interdisciplinary field of interest. This type of network is inexpensive, multifunctionally attributable to advances in micro-electromechanical systems and conjointly the explosion and expansion of wireless communications. A mobile ad hoc network is a wireless network without fastened infrastructure or federal management. Due to the infrastructure-less mode of operation, mobile ad-hoc networks are gaining quality. During this work, we have performed an efficient performance study of the two major routing protocols: Ad hoc On-Demand Distance Vector Routing (AODV) and Dynamic Source Routing (DSR) protocols. We have used an accurate simulation model supported NS2 for this purpose. Our simulation results showed that AODV mitigates the drawbacks of the DSDV and provides better performance as compared to DSDV.

Keywords: Routing protocols, mobility, Mobile Ad-hoc Networks, Ad-hoc On-demand Distance Vector, Dynamic Source Routing, Destination Sequence Distance Vector, Quality of Service.

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Authors: Tan Kian Lam, Abdullah Zawawi bin Haji Talib, Mohd. Azam Osman

Abstract:

This paper describes a method of modeling to model shadow play puppet using sophisticated computer graphics techniques available in OpenGL in order to allow interactive play in real-time environment as well as producing realistic animation. This paper proposes a novel real-time method is proposed for modeling of puppet and its shadow image that allows interactive play of virtual shadow play using texture mapping and blending techniques. Special effects such as lighting and blurring effects for virtual shadow play environment are also developed. Moreover, the use of geometric transformations and hierarchical modeling facilitates interaction among the different parts of the puppet during animation. Based on the experiments and the survey that were carried out, the respondents involved are very satisfied with the outcomes of these techniques.

Keywords: Animation, blending, hierarchical modeling, interactive play, real-time, shadow play, visual simulation.

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Authors: Yu-Kai Ting, Jia-Ying Tu, Chung-Chun Hsiao

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New physical insights into the nonlinear Lorenz equations related to flow resistance is discussed in this work. The chaotic dynamics related to Lorenz equations has been studied in many papers, which is due to the sensitivity of Lorenz equations to initial conditions and parameter uncertainties. However, the physical implication arising from Lorenz equations about convectional motion attracts little attention in the relevant literature. Therefore, as a first step to understand the related fluid mechanics of convectional motion, this paper derives the Lorenz equations again with different forced conditions in the model. Simulation work of the modified Lorenz equations without the viscosity or buoyancy force is discussed. The time-domain simulation results may imply that the states of the Lorenz equations are related to certain flow speed and flow resistance. The flow speed of the underlying fluid system increases as the flow resistance reduces. This observation would be helpful to analyze the coupling effects of different fluid parameters in a convectional model in future work.

Keywords: Galerkin method, Lorenz equations, Navier-Stokes equations.

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Authors: Cristian P. Topa, Esteban A. Valencia, Victor H. Hidalgo, Marco A. Martinez

Abstract:

Wind tunnel experiments for aerodynamic profiles display numerous advantages, such as: clean steady laminar flow, controlled environmental conditions, streamlines visualization, and real data acquisition. However, the experiment instrumentation usually is expensive, and hence, each test implies a incremented in design cost. The aim of this work is to select and implement a low-cost static pressure data acquisition system for a NACA 2412 airfoil in an open cycle wind tunnel. This work compares wind tunnel experiment with Computational Fluid Dynamics (CFD) simulation and parametric analysis. The experiment was evaluated at Reynolds of 1.65 e⁵, with increasing angles from -5° to 15°. The comparison between the approaches show good enough accuracy, between the experiment and CFD, additional parametric analysis results differ widely from the other methods, which complies with the lack of accuracy of the lateral approach due its simplicity.

Keywords: Wind tunnel, low cost instrumentation, experimental testing, CFD simulation.

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Authors: Akhilesh Khapre, Basudeb Munshi

Abstract:

A computational fluid dynamics simulation is done for non-Newtonian fluid in a baffled stirred tank. The CMC solution is taken as non-Newtonian shear thinning fluid for simulation. The Reynolds Average Navier Stocks equation with steady state multi reference frame approach is used to simulate flow in the stirred tank. The turbulent flow field is modelled using realizable k-ε turbulence model. The simulated velocity profiles of Rushton turbine is validated with literature data. Then, the simulated flow field of CD-6 impeller is compared with the Rushton turbine. The flow field generated by CD-6 impeller is less in magnitude than the Rushton turbine. The impeller global parameter, power number and flow number, and entropy generation due to viscous dissipation rate is also reported.

Keywords: Computational fluid dynamics, non-Newtonian, Rushton turbine, CD-6 impeller, power number, flow number, viscous dissipation rate.

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Authors: Fang Ye, Han Yu, Yibing Li

Abstract:

Radio interference is one of the major concerns in using the global positioning system (GPS) for civilian and military applications. Interference signals are produced not only through all electronic systems but also illegal jammers. Among different types of interferences, continuous wave (CW) interference has strong adverse impacts on the quality of the received signal. In this paper, we make more detailed analysis for CW interference effects on GPS signal quality. Based on the C/A code spectrum lines, the influence of CW interference on the acquisition performance of GPS receivers is further analysed. This influence is supported by simulation results using GPS software receiver. As the most important user parameter of GPS receivers, the mathematical expression of bit error probability is also derived in the presence of CW interference, and the expression is consistent with the Monte Carlo simulation results. The research on CW interference provides some theoretical gist and new thoughts on monitoring the radio noise environment and improving the anti-jamming ability of GPS receivers.

Keywords: GPS, CW interference, acquisition performance, bit error probability, Monte Carlo.

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Authors: Selim Yannier, Asif Sabanovic, Ahmet Onat, Muhammet Bastan

Abstract:

In this work, we suggested a new approach for the control of a mobile robot capable of being a building block of an intelligent agent. This approach includes obstacle avoidance and goal tracking implemented as two different sliding mode controllers. A geometry based behavior arbitration is proposed for fusing the two outputs. Proposed structure is tested on simulations and real robot. Results have confirmed the high performance of the method.

Keywords: Autonomous Mobile Robot, Behavior Based Control, Fast Local Obstacle Avoidance, Sliding Mode Control.

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Authors: J. Tengrang, T. Rungrotmongkol, S. Hannongbua

Abstract:

Every 2-3 years the influenza B virus serves epidemics. Neuraminidase (NA) is an important target for influenza drug design. Although, oseltamivir, an oral neuraminidase drug, has been shown good inhibitory efficiency against wild-type of influenza B virus, the lower susceptibility to the R152K mutation has been reported. Better understanding of oseltamivir efficiency and resistance toward the influenza B NA wild-type and R152K mutant, respectively, could be useful for rational drug design. Here, two complex systems of wild-type and R152K NAs with oseltamivir bound were studied using molecular dynamics (MD) simulations. Based on 5-ns MD simulation, the loss of notable hydrogen bond and decrease in per-residue decomposition energy from the mutated residue K152 contributed to drug compared to those of R152 in wildtype were found to be a primary source of high-level of oseltamivir resistance due to the R152K mutation.

Keywords: Influenza B neuraminidase, Molecular dynamics simulation, Oseltamivir resistance, R152K mutant

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Authors: A. Safari, H. Shayeghi, H. A. Shayanfar

Abstract:

On the basis of the linearized Phillips-Herffron model of a single-machine power system, a novel method for designing unified power flow controller (UPFC) based output feedback controller is presented. The design problem of output feedback controller for UPFC is formulated as an optimization problem according to with the time domain-based objective function which is solved by iteration particle swarm optimization (IPSO) that has a strong ability to find the most optimistic results. To ensure the robustness of the proposed damping controller, the design process takes into account a wide range of operating conditions and system configurations. The simulation results prove the effectiveness and robustness of the proposed method in terms of a high performance power system. The simulation study shows that the designed controller by Iteration PSO performs better than Classical PSO in finding the solution.

Keywords: UPFC, IPSO, output feedback Controller.

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Authors: Abdel Ilah Alshabtat, Liang Dong

Abstract:

In this paper, we proposed a new routing protocol for Unmanned Aerial Vehicles (UAVs) that equipped with directional antenna. We named this protocol Directional Optimized Link State Routing Protocol (DOLSR). This protocol is based on the well known protocol that is called Optimized Link State Routing Protocol (OLSR). We focused in our protocol on the multipoint relay (MPR) concept which is the most important feature of this protocol. We developed a heuristic that allows DOLSR protocol to minimize the number of the multipoint relays. With this new protocol the number of overhead packets will be reduced and the End-to-End delay of the network will also be minimized. We showed through simulation that our protocol outperformed Optimized Link State Routing Protocol, Dynamic Source Routing (DSR) protocol and Ad- Hoc On demand Distance Vector (AODV) routing protocol in reducing the End-to-End delay and enhancing the overall throughput. Our evaluation of the previous protocols was based on the OPNET network simulation tool.

Keywords: Mobile Ad-Hoc Networks, Ad-Hoc RoutingProtocols, Optimized link State Routing Protocol, Unmanned AerialVehicles, Directional Antenna.

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Authors: Jeerapa Sappakitkamjorn, Sa-aat Niwitpong

Abstract:

In many practical applications in various areas, such as engineering, science and social science, it is known that there exist bounds on the values of unknown parameters. For example, values of some measurements for controlling machines in an industrial process, weight or height of subjects, blood pressures of patients and retirement ages of public servants. When interval estimation is considered in a situation where the parameter to be estimated is bounded, it has been argued that the classical Neyman procedure for setting confidence intervals is unsatisfactory. This is due to the fact that the information regarding the restriction is simply ignored. It is, therefore, of significant interest to construct confidence intervals for the parameters that include the additional information on parameter values being bounded to enhance the accuracy of the interval estimation. Therefore in this paper, we propose a new confidence interval for the coefficient of variance where the population mean and standard deviation are bounded. The proposed interval is evaluated in terms of coverage probability and expected length via Monte Carlo simulation.  

Keywords: Bounded parameters, coefficient of variation, confidence interval, Monte Carlo simulation.

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Authors: Eric Ho

Abstract:

Pedagogical approaches in Asia nowadays are imported from the West. In Confucian Heritage Culture (CHC), however, there is a dichotomy between the perceived benefits of Western pedagogies and the real classroom practices in Chinese societies. The success of Hong Kong students in large-scale international assessments has proved that both the strengths of both Western pedagogies and CHC educational approaches should be integrated for the sake of the students. University students aim to equip themselves with employability skills upon graduation. Formative assessments allow students to receive detailed, positive, and timely feedback and they can identify their strengths and weaknesses before they start working. However, there remains a question of whether university year 1 students who come from an examination-driven secondary education background are ready to respond to more formative assessments. The findings show that year 1 students are less concerned about competition in the university and more open to new teaching approaches that will allow them to improve as professionals in their major study areas.

Keywords: Formative assessment, higher education, learning styles, Confucian heritage culture.

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Authors: Robson C. Santos, Christian N. Barreto, Gerson G. Cunha, Severino J. C. Neto

Abstract:

This paper aims to project the construction of a prototype azimuthal thruster, mounted with materials of low cost and easy access, testing in a controlled environment to measure their performance, characteristics and feasibility of future projects. The construction of the simulation of dynamic positioning software, responsible for simulating a vessel and reposition it when necessary. Validation tests were performed in the form of partial or complete system. These tests validate the system manually or automatically. The system provides an interface to the user and simulates the conditions unfavorable positioning of a vessel, accurately calculates the azimuth angle, the direction of rotation of the helix and the time that this should be turned on so that the vessel back to position original. A serial communication connects the Simulation Dynamic Positioning System with Embedded System causing the usergenerated data to simulate the DP system arrives in the form of control signals to the motors of the propellant. This article addresses issues in the marine industry employees.

Keywords: Azimuthal Thruster, Dynamic Positioning, Embedded System.

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Authors: Lars Laußat, Manfred Helmus, Kamil Szczesny, Markus König

Abstract:

As one result of the project “Reactive Construction Project Scheduling using Real Time Construction Logistic Data and Simulation”, a procedure for using data about uncertain resource availability assumptions in reactive scheduling processes has been developed. Prediction data about resource availability is generated in a formalized way using real-time monitoring data e.g. from auto-ID systems on the construction site and in the supply chains. The paper focusses on the formalization of the procedure for monitoring construction logistic processes, for the detection of disturbance and for generating of new and uncertain scheduling assumptions for the reactive resource constrained simulation procedure that is and will be further described in other papers.

Keywords: Auto-ID, Construction Logistic, Fuzzy, Monitoring, RFID, Scheduling.

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Authors: N.Boontian

Abstract:

A novel calibration approach that aims to reduce ASM2d parameter subsets and decrease the model complexity is presented. This approach does not require high computational demand and reduces the number of modeling parameters required to achieve the ASMs calibration by employing a sensitivity and iteration methodology. Parameter sensitivity is a crucial factor and the iteration methodology enables refinement of the simulation parameter values. When completing the iteration process, parameters values are determined in descending order of their sensitivities. The number of iterations required is equal to the number of model parameters of the parameter significance ranking. This approach was used for the ASM2d model to the evaluated EBPR phosphorus removal and it was successful. Results of the simulation provide calibration parameters. These included YPAO, YPO4, YPHA, qPHA, qPP, μPAO, bPAO, bPP, bPHA, KPS, YA, μAUT, bAUT, KO2 AUT, and KNH4 AUT. Those parameters were corresponding to the experimental data available.

Keywords: ASM2d, calibration approach, iteration methodology, sensitivity, phosphorus removal

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Authors: D. Toghraie, A. R. Azimian

Abstract:

In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density of the liquids near the solid walls fluctuated greatly and that the structure was more like a solid than a liquid. This indicates that the interactions of solid and liquid molecules are very strong. The resultant surface tension, liquid density and vapor density are found to be well predicted when compared with the experimental data for argon. Liquid and vapor densities were found to depend on the cutoff radius which induces the use of P3M (particle-particle particle-mesh) method which was implemented for evaluation of force and surface tension.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD).

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