Search results for: process simulation

Authors: Maryam Mirzaei, Sinisa Krajnovic´

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The paper reports a study about the prediction of flows around simplified vehicles using Partially-Averaged Navier-Stokes (PANS). Numerical simulations are performed for two simplified vehicles: A slanted-back Ahmed body at Re=30 000 and a square back Ahmed body at Re=300 000. A comparison of the resolved and modeled physical flow scales is made with corresponding LES and experimental data for a better understanding of the performance of the PANS model. The PANS model is compared for coarse and fine grid resolutions and it is indicated that even a coarse-grid PANS simulation is able to produce fairly close flow predictions to those from a well-resolved LES simulation. The results indicate the possibility of improvement of the predictions by employing a finer grid resolution.

Keywords: partially-averaged Navier-Stokes, large eddy simulation, PANS, LES, Ahmed body

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Authors: P. Kacejko, M. Wendeker

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The fuel consumption of city buses depends on a number of factors that characterize the technical properties of the bus and driver, as well as traffic conditions. This parameter related to greenhouse gas emissions is regulated by law in many countries. This applies to both fuel consumption and exhaust emissions. Simulation studies are a way to reduce the costs of optimization studies. The paper describes simulation research of fuel consumption city bus driving. Parameters of the developed model are based on experimental results obtained on chassis dynamometer test stand and road tests. The object of the study was a city bus equipped with a compression-ignition engine. The verified model was applied to simulate the behavior of a bus during the CUEDC Australian Driving Cycle. The results of the calculations showed a direct influence of driving dynamics on fuel consumption.

Keywords: Australian Driving Cycle, city bus, diesel engine, fuel consumption

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Authors: Alireza Rafie Boldaji, Ahmad Saboonchi

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Chokes are commonly used in oil and gas production systems. A choke is a restriction basically designed to control flow rates of oil and gas wells, to prevent the downstream disturbances from propagating upstream (critical flow), and to protect the surface equipment facilities against slugging at high flowing pressures. There are different methods to calculate the multiphase flow rate, one of the multiphase flow measurement methods is the separation and measurement by on¬e-phaseFlow meter, another common method is the use of movable separator, their operations are very labor-intensive and costly. The current method used is based on the flow differential pressure on both sides of choke. Three groups of correlations describing two-phase flow through wellhead chokes were examined. The first group involved simple empirical equations similar to those of Gilbert, the second group comprised derived equations of two-phase flow incorporating PVT properties, and third group is computational method. In the article we calculate the flow of oil and gas through choke with simulation of this two phase flow bye computational fluid dynamic method, we use Ansys- fluent for this simulation and finally compared results of computational simulation whit empirical equations, the results show good agreement between experimental and numerical results.

Keywords: CFD, two-phase, choke, critical

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Authors: Mark Watson, J.-F. Bousquet, Adam Forget

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A magnetic induction based underwater communication link is evaluated using an analytical model and a custom Finite-Difference Time-Domain (FDTD) simulation tool. The analytical model is based on the Sommerfeld integral, and a full-wave simulation tool evaluates Maxwell’s equations using the FDTD method in cylindrical coordinates. The analytical model and FDTD simulation tool are then compared and used to predict the system performance for various transmitter depths and optimum frequencies of operation. To this end, the system bandwidth, signal to noise ratio, and the magnitude of the induced voltage are used to estimate the expected channel capacity. The models show that in seawater, a relatively low-power and small coils may be capable of obtaining a throughput of 40 to 300 kbps, for the case where a transmitter is at depths of 1 to 3 m and a receiver is at a height of 1 m.

Keywords: magnetic induction, FDTD, underwater communication, Sommerfeld

Procedia PDF Downloads 114

Authors: R. Rezaeipour

Abstract:

One of the key aspects of power quality improvement in power system is the mitigation of voltage sags/swells and flicker. Custom power devices have been known as the best tools for voltage disturbances mitigation as well as reactive power compensation. Dynamic voltage restorer (DVR) which is the most efficient and effective modern custom power device can provide the most commercial solution to solve several problems of power quality in distribution networks. This paper deals with analysis and simulation technique of DVR based on instantaneous power theory which is a quick control to detect signals. The main purpose of this work is to remove three important disturbances including voltage sags/swells and flicker. Simulation of the proposed method was carried out on two sample systems by using MATLAB software environment and the results of simulation show that the proposed method is able to provide desirable power quality in the presence of wide range of disturbances.

Keywords: DVR, power quality, voltage sags, voltage swells, flicker

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Authors: Mohammedi Ferhate

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This work presents details of the study of the entire flow inside the facility where the exothermic chemical reaction process in the chemical laser cavity is analyzed. In our paper we will describe the principles of chemical lasers where flow reversal is produced by chemical reactions. We explain the device for converting chemical potential energy laser energy. We see that the phenomenon thus has an explosive trend. Finally, the feasibility and effectiveness of the proposed method is demonstrated by computer simulation

Keywords: genetic, lasers, nozzle, programming

Procedia PDF Downloads 81

Authors: Nathan Reeves

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Aim: The aim of this study was to evaluate if there was an impact on student learning when peer role play was substituted for a professional actor in the role of simulated patient in a simulation-based scenario. Method: Third-year exercise science students enrolled in a field project course in 2015 (n=24), and 2016 (n=20) participated in a simulation-based case scenario designed to develop their client-centred exercise prescription skills. During the simulation, students were provided with feedback from the simulated patients. In 2015, three professional actors played the part of the simulated patient, and in 2016 one of the simulated patients was a student from another exercise science cohort (peer role play). The student learning experience, consistency in case fidelity and feedback provided by the simulated patients was evaluated using a 5-point Likert scale survey and collecting phenomenological data. Results: Improvements to student pre and post confidence remained constant between the 2015 and 2016 cohorts (1.04 and 0.85). The perceived usefulness and enjoyability also remained high across the two cohorts (4.96 and 4.71). The feedback provided by all three simulated patients in 2016 was seen to strongly support student learning experience (4.82), and was of a consistent level (4.47). Significance of the findings to allied health: Simulation-based education is rapidly expanding in the curricula across the allied health professions. The simulated patient methodology continues to receive support as a pedagogy to develop a range of clinical skills including communication, engagement and client-centeredness. Upskilling students to peer role play can be a reasonable alternative to engaging paid actors.

Keywords: exercise science, simulation-based learning, simulated patient, peer role play

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Authors: Unchalee Inkampa, Tuanjai Somboonwiwat

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Painting process of automobiles and automobile parts, which is a continuous process based on EDP (Electrode position paint, EDP). Through EDP, all work pieces will be continuously sent to the painting process. Work process can be divided into 2 groups based on the running time: Painting Room 1 and Painting Room 2. This leads to continuous operation. The problem that arises is waiting for workloads onto Painting Room. The grading process EDP to Painting Room is a major problem. Therefore, this paper aim to develop production sequencing method by applying EDP to painting process. It also applied fixed rate launching for painting room and earliest due date (EDD) for EDP process and swap pairwise interchange for waiting time to a minimum of machine. The result found that the developed method could improve painting reduced waiting time, on time delivery, meeting customers wants and improved productivity of painting unit.

Keywords: sequencing, mixed model lines, painting process, electrode position paint

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Authors: M. V. Manoj Kumar, Likewin Thomas, Annappa

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Process mining research discipline bridges the gap between data mining and business process modeling and analysis, it offers the process-centric and end-to-end methods/techniques for analyzing information of real-world process detailed in operational event-logs. In this paper, we have proposed a notation called trace logo for graphically representing control-flow perspective (order of execution of activities) of process. A trace logo consists of a stack of activity names at each position, sizes of the activity name indicates their frequency in the traces and the total height of the activity depicts the information content of the position. A trace logo created from a set of aligned traces generated using Multiple Trace Alignment technique.

Keywords: consensus trace, process mining, multiple trace alignment, trace logo

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Authors: Jeerasak Wisatphan, Nara Samattapapong

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This study's goals were to enhance nitroglycerin manufacturing efficiency through simulation, recover nitroglycerin from the storage facility, and enhance nitroglycerine recovery and purge systems. It was found that the problem was nitroglycerin reflux. Therefore, the researcher created three alternatives to solve the problem. The system of Nitroglycerine Recovery and Purge was then simulated using the FlexSim program, and each alternative was tested. The results demonstrate that the alternative system-led Nitroglycerine Recovery and Nitroglycerine Purge System collaborate to produce Nitroglycerine, which is more efficient than other alternatives and can reduce production time. It can also improve the recovery of nitroglycerin. It also serves as a guideline for developing a real-world system and modeling it for training staff without wasting raw chemical materials or fuel energy.

Keywords: efficiency increase, nitroglycerine recovery and purge system, production improvement, simulation

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Authors: Ravi Soni, Irfan Pathan, Manish Pande

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The current product development process needs simultaneous consideration of different physics. The performance of the product needs to be considered under both structural and fluid loads. Examples include ducts and valves where structural behavior affects fluid motion and vice versa. Simulation of fluid-structure interaction involves modeling interaction between moving components and the fluid flow. In these scenarios, it is difficult to calculate the damping provided by fluid flow because of dynamic motions of components and the transient nature of the flow. Abaqus Explicit offers general capabilities for modeling fluid-structure interaction with the Coupled Eulerian-Lagrangian (CEL) method. The Coupled Eulerian-Lagrangian technique has been used to simulate fluid spillage through fuel valves during dynamic closure events. The technique to simulate pressure drops across Eulerian domains has been developed using stagnation pressure. Also, the fluid flow is calculated considering material flow through elements at the outlet section of the valves. The methodology has been verified on Eaton products and shows a good correlation with the test results.

Keywords: Coupled Eulerian-Lagrangian Technique, fluid structure interaction, spillage prediction, stagnation pressure

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Authors: Nikhil Deshpande, Rahul Mahajan

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Laser Beam Machining (LBM) is a non-traditional machining process that has inherent problems like dross, striation, and Heat Affected Zone (HAZ) which reduce the quality of machining. In the present day scenario, these problems are controlled only by iteratively adjusting a large number of process parameters. This paper applies Axiomatic Design principles to design LBM process so as to eliminate the problem of dross and striation and minimize the effect of HAZ. Process parameters and their ranges are proposed to set-up the LBM process, execute the cut and finish the workpiece so as to obtain the best quality cut.

Keywords: laser beam machining, dross, striation, heat affected zone, axiomatic design

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Authors: Himanshu Payal, Sachin Maheshwari, Pushpendra S. Bharti

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Electrical discharge machining (EDM), a non-conventional machining process, finds wide applications for shaping difficult-to-cut alloys. Process modeling of EDM is required to exploit the process to the fullest. Process modeling of EDM is a challenging task owing to involvement of so many electrical and non-electrical parameters. This work is an attempt to model the EDM process using artificial neural network (ANN). Experiments were carried out on die-sinking EDM taking Inconel 825 as work material. ANN modeling has been performed using experimental data. The prediction ability of trained network has been verified experimentally. Results indicate that ANN can predict the values of performance measures of EDM satisfactorily.

Keywords: artificial neural network, EDM, metal removal rate, modeling, surface roughness

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Authors: Amit Kumar, Jaikumar V., Pradeep A. G., Shivakumar Bhavi

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Amit Kumar, Jaikumar V, Pradeep AG, Shivakumar Bhavi Reducing sloshing is one of the major challenges in industries where transporting of liquid is involved. The present study investigates the sloshing effect for different liquid levels of 50% of the tank capacity. CFD simulation for two different baffle configurations has been carried out using a time-based multiphase Volume of fluid (VOF) scheme. Baffles were introduced to examine the sloshing effect inside the tank. Results were compared against the baseline case to assess the effectiveness of baffles; maximum liquid height over the period of the simulation was considered as the parameter for measuring the sloshing effect inside the tank. It was found that the addition of baffles reduced the sloshing effect inside the tank as compared to the baseline model.

Keywords: CFD, sloshing, VOF, multiphase

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Authors: Eunsu Jang, Kang Park

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In developing an armored ground combat vehicle (AGCV), it is a very important step to analyze the vulnerability (or the survivability) of the AGCV against enemy’s attack. In the vulnerability analysis, the penetration equations are usually used to get the penetration depth and check whether a bullet can penetrate the armor of the AGCV, which causes the damage of internal components or crews. The penetration equations are derived from penetration experiments which require long time and great efforts. However, they usually hold only for the specific material of the target and the specific type of the bullet used in experiments. Thus, penetration simulation using ANSYS can be another option to calculate penetration depth. However, it is very important to model the targets and select the input parameters in order to get an accurate penetration depth. This paper performed a sensitivity analysis of input parameters of ANSYS on the accuracy of the calculated penetration depth. Two conflicting objectives need to be achieved in adopting ANSYS in penetration analysis: maximizing the accuracy of calculation and minimizing the calculation time. To maximize the calculation accuracy, the sensitivity analysis of the input parameters for ANSYS was performed and calculated the RMS error with the experimental data. The input parameters include mesh size, boundary condition, material properties, target diameter are tested and selected to minimize the error between the calculated result from simulation and the experiment data from the papers on the penetration equation. To minimize the calculation time, the parameter values obtained from accuracy analysis are adjusted to get optimized overall performance. As result of analysis, the followings were found: 1) As the mesh size gradually decreases from 0.9 mm to 0.5 mm, both the penetration depth and calculation time increase. 2) As diameters of the target decrease from 250mm to 60 mm, both the penetration depth and calculation time decrease. 3) As the yield stress which is one of the material property of the target decreases, the penetration depth increases. 4) The boundary condition with the fixed side surface of the target gives more penetration depth than that with the fixed side and rear surfaces. By using above finding, the input parameters can be tuned to minimize the error between simulation and experiments. By using simulation tool, ANSYS, with delicately tuned input parameters, penetration analysis can be done on computer without actual experiments. The data of penetration experiments are usually hard to get because of security reasons and only published papers provide them in the limited target material. The next step of this research is to generalize this approach to anticipate the penetration depth by interpolating the known penetration experiments. This result may not be accurate enough to be used to replace the penetration experiments, but those simulations can be used in the early stage of the design process of AGCV in modelling and simulation stage.

Keywords: ANSYS, input parameters, penetration depth, sensitivity analysis

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Authors: Alireza Keshmiri, Shahriar Bagheri, Nan Wu

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This research presents an analytical model for the development of an energy harvester with piezoelectric rings stacked at the boundary of the structure based on the Adomian decomposition method. The model is applied to geometrically non-uniform beams to derive the steady-state dynamic response of the structure subjected to base motion excitation and efficiently harvest the subsequent vibrational energy. The in-plane polarization of the piezoelectric rings is employed to enhance the electrical power output. A parametric study for the proposed energy harvester with various design parameters is done to prepare the dataset required for optimization. Finally, simulation-based optimization technique helps to find the optimum structural design with maximum efficiency. To solve the optimization problem, an artificial neural network is first trained to replace the simulation model, and then, a genetic algorithm is employed to find the optimized design variables. Higher geometrical non-uniformity and length of the beam lowers the structure natural frequency and generates a larger power output.

Keywords: piezoelectricity, energy harvesting, simulation-based optimization, artificial neural network, genetic algorithm

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Authors: Chen-Chi An, Jun-Yi He, Cheng-Han Hsieh, Chen-Ching Ting

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This research has successfully developed an intelligent table tennis ball machine with human play simulate all situations of human play to take the service. It is well known; an excellent ball machine can help the table tennis coach to provide more efficient teaching, also give players the good technical training and entertainment. An excellent ball machine should be able to service all balls based on human play simulation due to the conventional competitions are today all taken place for people. In this work, two counter-rotating wheels are used to service the balls, where changing the absolute rotating speeds of the two wheels and the differences of rotating speeds between the two wheels can adjust the struck forces and the rotating speeds of the ball. The relationships between the absolute rotating speed of the two wheels and the struck forces of the ball as well as the differences rotating speeds between the two wheels and the rotating speeds of the ball are experimentally determined for technical development. The outlet speed, the ejected distance, and the rotating speed of the ball were measured by changing the absolute rotating speeds of the two wheels in terms of a series of differences in rotating speed between the two wheels for calibration of the ball machine; where the outlet speed and the ejected distance of the ball were further converted to the struck forces of the ball. In process, the balls serviced by the intelligent ball machine were based on the received calibration curves with help of the computer. Experiments technically used photosensitive devices to detect the outlet and rotating speed of the ball. Finally, this research developed some teaching programs for technical training using three ball machines and received more efficient training.

Keywords: table tennis, ball machine, human play simulation, counter-rotating wheels

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Authors: Amitabh Das, Yash Jain, Mohammad Rafiq B. Agrewale, K. C. Vora

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Role of wheel and underbody aerodynamics of vehicle in the formation of drag forces is detrimental to the fuel (energy) consumption during the course of operation at high velocities. This paper deals with the CFD simulation of the flow around the wheels of a bus with different wheel housing geometry and pattern. Based on benchmarking a model of a bus is selected and analysis is performed. The aerodynamic drag coefficient is obtained and turbulence around wheels is observed using ANSYS Fluent CFD simulation for different combinations of wheel-housing at the front wheels, at the rear wheels and both in the front and rear wheels. The drag force is recorded and corresponding influence on energy consumption on an electric bus is evaluated mathematically. A comparison is drawn between energy consumption of bus body without wheel housing and bus body with wheel housing. The result shows a significant reduction in drag coefficient and fuel consumption.

Keywords: wheel-housing, CFD simulation, drag coefficient, energy consumption

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Authors: P. M. Keshtiban, M. Zdshakoyan, G. Faragi

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Different severe plastic deformation (SPD) methods are the most successful ways to build nano-structural materials from coarse grain samples without changing the cross-sectional area. One of the most widely used methods in the SPD process is equal channel angler pressing (ECAP). In this paper, ECAP process on Al1050 sheets was evaluated at room temperature by both experiments and finite element method. Since, one of the main objectives of SPD processes is to achieve high equivalent plastic strain (PEEQ) in one cycle, the values of PEEQ obtained by finite element simulation. Also, force-displacement curve achieved by FEM. To study the changes of mechanical properties, micro-hardness tests were conducted on samples and improvement in the mechanical properties were investigated. Results show that there is the good proportion between FEM, theory and experimental results.

Keywords: AL1050, experiments, finite element method, severe plastic deformation

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Authors: Moaine Jebara, Lionel Boillereaux, Sofiane Belhabib, Michel Havet, Alain Sarda, Pierre Mousseau, Rémi Deterre

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Energy consumption efficiency is a major concern for the material processing industry such as thermoforming process and molding. Indeed, these systems should deliver the right amount of energy at the right time to the processed material. Recent technical development, as well as the particularities of the heating system dynamics, made the Model Predictive Control (MPC) one of the best candidates for thermal control of several production processes like molding and composite thermoforming to name a few. The main principle of this technique is to use a dynamic model of the process inside the controller in real time in order to anticipate the future behavior of the process which allows the current timeslot to be optimized while taking future timeslots into account. This study presents a procedure based on a predictive control that brings balance between optimality, simplicity, and flexibility of its implementation. The development of this approach is progressive starting from the case of a single zone before its extension to the multizone and/or multisource case, taking thus into account the thermal couplings between the adjacent zones. After a quadratic formulation of the MPC criterion to ensure the thermal control, the linear expression is retained in order to reduce calculation time thanks to the use of the ARMAX linear decomposition methods. The effectiveness of this approach is illustrated by experiment and simulation.

Keywords: energy efficiency, linear decomposition methods, model predictive control, mold heating systems

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Authors: Maryam Shayan

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Programming frameworks have been utilized as a part of chemical industry process safety operation and configuration to enhance its effectiveness. This paper gives a brief survey and investigation of the best in class and effects of programming frameworks in process security. A study was completed by talking staff accountable for procedure wellbeing practices in the Iranian chemical process industry and diving into writing of innovation for procedure security. This article investigates the useful and operational attributes of programming frameworks for security and endeavors to sort the product as indicated by its level of effect in the administration chain of importance. The study adds to better comprehension of the parts of Information Communication Technology in procedure security, the future patterns and conceivable gaps for innovative work.

Keywords: programming frameworks, chemical industry process, process security, administration chain, information communication technology

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Authors: J. J. Vargas, N. Prieto, L. A. Toro

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Control charts are commonly used to monitor processes involving either variable or attribute of quality characteristics and determining the control limits as a critical task for quality engineers to improve the processes. Nonetheless, in some applications it is necessary to include an estimation of efficiency. In this paper, the ability to define the efficiency of an industrial process was added to a control chart by means of incorporating a data envelopment analysis (DEA) approach. In depth, a Bayesian estimation was performed to calculate the posterior probability distribution of parameters as means and variance and covariance matrix. This technique allows to analyse the data set without the need of using the hypothetical large sample implied in the problem and to be treated as an approximation to the finite sample distribution. A rejection simulation method was carried out to generate random variables from the parameter functions. Each resulting vector was used by stochastic DEA model during several cycles for establishing the distribution of each efficiency measures for each DMU (decision making units). A control limit was calculated with model obtained and if a condition of a low level efficiency of DMU is presented, system efficiency is out of control. In the efficiency calculated a global optimum was reached, which ensures model reliability.

Keywords: data envelopment analysis, DEA, Multivariate control chart, rejection simulation method

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Authors: Ileen Van den Berg, Reinier J. Daals, Chris E. M. Heuberger, Sven P. Hildering, Bob E. Van Maris, Carla M. Smulders, Rafael Aránguiz

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Chile is located along the subduction zone of the Nazca plate beneath the South American plate, where large earthquakes and tsunamis have taken place throughout history. The last significant earthquake (Mw 8.2) occurred in September 2015 and generated a destructive tsunami, which mainly affected the city of Coquimbo (71.33°W, 29.96°S). The inundation area consisted of a beach, damaged seawall, damaged railway, wetland and old neighborhood; therefore, local authorities started a reconstruction process immediately after the event. Moreover, a seismic gap has been identified in the same area, and another large event could take place in the near future. The present work proposed an integrated tsunami reconstruction plan for the city of Coquimbo that considered several variables such as safety, nature & recreation, neighborhood welfare, visual obstruction, infrastructure, construction process, and durability & maintenance. Possible future tsunami scenarios are simulated by means of the Non-hydrostatic Evolution of Ocean WAVEs (NEOWAVE) model with 5 nested grids and a higher grid resolution of ~10 m. Based on the score from a multi-criteria analysis, the costs of the alternatives and a preference for a multifunctional solution, the alternative that includes an elevated coastal road with floodgates to reduce tsunami overtopping and control the return flow of a tsunami was selected as the best solution. It was also observed that the wetlands are significantly restored to their former configuration; moreover, the dynamic behavior of the wetlands is stimulated. The numerical simulation showed that the new coastal protection decreases damage and the probability of loss of life by delaying tsunami arrival time. In addition, new evacuation routes and a smaller inundation zone in the city increase safety for the area.

Keywords: tsunami, Coquimbo, Chile, reconstruction, numerical simulation

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Authors: Matloub Hussaina

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This paper investigates the impact of information sharing and capacity constraints on backlog bullwhip effect of Automatic Pipe Line Inventory and Order Based Production Control System (APIOBPCS). System dynamic simulation using iThink Software has been applied. It has been found that smooth ordering by Tier 1 can be achieved when Tier 1 has medium capacity constraints. Simulation experiments also show that information sharing helps to reduce 50% of backlog bullwhip effect in capacitated supply chains. This knowledge is of value per se, giving supply chain operations managers and designers a practical way in to controlling the backlog bullwhip effect. Future work should investigate the total cost implications of capacity constraints and safety stocks in multi-echelon supply chain.

Keywords: supply chain dynamics, information sharing, capacity constraints, simulation, APIOBPCS

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Authors: Dafna Knani, Sarit S. Sivan

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Aggrecan, one of the main components of the intervertebral disc (IVD), belongs to the family of proteoglycans (PGs) that are composed of glycosaminoglycan (GAG) chains covalently attached to a core protein. Its primary function is to maintain tissue hydration and hence disc height under the high loads imposed by muscle activity and body weight. Significant PG loss is one of the first indications of disc degeneration. A possible solution to recover disc functions is by injecting a synthetic hydrogel into the joint cavity, hence mimicking the role of PGs. One of the hydrogels proposed is GAG-analogues, based on sulfate-containing polymers, which are responsible for hydration in disc tissue. In the present work, we used molecular dynamics (MD) to study the effect of the hydrogel crosslinking (type and degree) on the swelling behavior of the suggested GAG-analogue biomimetics by calculation of cohesive energy density (CED), solubility parameter, enthalpy of mixing (ΔEmix) and the interactions between the molecules at the pure form and as a mixture with water. The simulation results showed that hydrophobicity plays an important role in the swelling of the hydrogel, as indicated by the linear correlation observed between solubility parameter values of the copolymers and crosslinker weight ratio (w/w); this correlation was found useful in predicting the amount of PEGDA needed for the desirable hydration behavior of (CS)₄-peptide. Enthalpy of mixing calculations showed that all the GAG analogs, (CS)₄ and (CS)₄-peptide are water-soluble; radial distribution function analysis revealed that they form interactions with water molecules, which is important for the hydration process. To conclude, our simulation results, beyond supporting the experimental data, can be used as a useful predictive tool in the future development of biomaterials, such as disc replacement.

Keywords: molecular dynamics, proteoglycans, enthalpy of mixing, swelling

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Authors: Maha BenHamad, Ali Snoussi, Ammar Ben Brahim

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A steady-state analysis of triple-effect thermal vapor compressor desalination unit was performed. A mathematical model based on mass, salinity and energy balances is developed. The purpose of this paper is to develop a connection between process simulator and process optimizer in order to study the influence of several operating variables on the performance and the produced water cost of the unit. A MATLAB program is used to solve the model equations, and Aspen HYSYS is used to model the plant. The model validity is examined against a commercial plant and showed a good agreement between industrial data and simulations results. Results show that the pressures of the last effect and the compressed vapor have an important influence on the produced cost, and the increase of the difference temperature in the condenser decreases the specific heat area about 22%.

Keywords: steady-state, triple effect, thermal vapor compressor, Matlab, Aspen Hysys

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Authors: Ruqaiya Khalil, Saman Usmani, Zaheer Ul-Haq

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The accurate characterization of ligand binding affinity is indispensable for designing molecules with optimized binding affinity. Computational tools help in many directions to predict quantitative correlations between protein-ligand structure and their binding affinities. Molecular dynamics (MD) simulation is a modern state-of-the-art technique to evaluate the underlying basis of ligand-protein interactions by characterizing dynamic and energetic properties during the event. Autoimmune diseases arise from an abnormal immune response of the body against own tissues. The current regimen for the described condition is limited to immune-modulators having compromised pharmacodynamics and pharmacokinetics profiles. One of the key player mediating immunity and tolerance, thus invoking autoimmunity is Interleukin-2; a cytokine influencing the growth of T cells. Molecular dynamics simulation techniques are applied to seek insight into the inhibitory mechanisms of newly synthesized compounds that manifested immunosuppressant potentials during in silico pipeline. In addition to estimation of free energies associated with ligand binding, MD simulation yielded us a great deal of information about ligand-macromolecule interactions to evaluate the pattern of interactions and the molecular basis of inhibition. The present study is a continuum of our efforts to identify interleukin-2 inhibitors of both natural and synthetic origin. Herein, we report molecular dynamics simulation studies of Interluekin-2 complexed with different antagonists previously reported by our group. The study of protein-ligand dynamics enabled us to gain a better understanding of the contribution of different active site residues in ligand binding. The results of the study will be used as the guide to rationalize the fragment based synthesis of drug-like interleukin-2 inhibitors as immune-modulators.

Keywords: immuno-modulators, MD simulation, protein-ligand interaction, structure-based drug design

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Authors: Rama Bhargava

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In the current paper, numerical simulation has been performed for the two-dimensional time dependent Pennes’ heat transfer model which is solved for irregular diseased tumor cells. An elliptic cryoprobe of varying sizes is taken at the center of the computational domain in such a manner that the location of the probe is fixed throughout the computation. The phase transition occurs due to the effect of probe with infusion of different nanoparticles Au, Al₂O₃, Fe₃O₄. The cooling performance of these nanoparticles injected at very low temperature, has been studied by implementing a hybrid FEM/EFGM method in which the whole domain is decomposed into two subdomains. The results are shown in terms of temperature profile inside the computational domain. Rate of cooling is obtained for various nanoparticles and it is observed that infusion of Au nanoparticles is very much efficient in increasing the heating rate than other nanoparticles. Such numerical scheme has direct applications where the domain is irregular.

Keywords: cryosurgery, hybrid EFGM/FEM, nanoparticles, simulation

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Authors: Augustine Okolie, Johannes Müller, Mirjam Kretzchmar

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We adopt a maximum-likelihood framework to estimate parameters of a stochastic susceptible-infected-recovered (SIR) model with contact tracing on a rooted random tree. Given the number of detectees per index case, our estimator allows to determine the degree distribution of the random tree as well as the tracing probability. Since we do not discover all infectees via contact tracing, this estimation is non-trivial. To keep things simple and stable, we develop an approximation suited for realistic situations (contract tracing probability small, or the probability for the detection of index cases small). In this approximation, the only epidemiological parameter entering the estimator is the basic reproduction number R0. The estimator is tested in a simulation study and applied to covid-19 contact tracing data from India. The simulation study underlines the efficiency of the method. For the empirical covid-19 data, we are able to compare different degree distributions and perform a sensitivity analysis. We find that particularly a power-law and a negative binomial degree distribution meet the data well and that the tracing probability is rather large. The sensitivity analysis shows no strong dependency on the reproduction number.

Keywords: stochastic SIR model on graph, contact tracing, branching process, parameter inference

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Authors: Kais Siala, Mohamed Kharrat, Mohamed Abid

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Exposure therapies encourage patients to gradually begin facing their painful memories of the trauma in order to reduce fear and anxiety. In this context, virtual reality techniques are widely used for treatment of different kinds of phobia. The particular case of fear of death phobia (thanataphobia) is addressed in this paper. For this purpose, we propose to make a simulation of Near Death Experience (NDE) using augmented reality techniques. We propose in particular to simulate the Out-of-Body experience (OBE) which is the first step of a Near-Death-Experience (NDE). In this paper, we present technical aspects of this simulation as well as short-term impact in terms of physiological measures. The non-linear Poincéré plot is used to describe the difference in Heart Rate Variability between In-Body and Out-Of-Body conditions.

Keywords: Out-of-Body simulation, physiological measure, augmented reality, phobia psychotherapy, HRV, Poincaré plot

Procedia PDF Downloads 296