Search results for: electrolyte simulation

Authors: Jiangxia Han, Liang Xue, Keda Chen

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Despite the significant progress over the last decades in reservoir simulation using numerical discretization, meshing is complex. Moreover, the high degree of freedom of the space-time flow field makes the solution process very time-consuming. Therefore, we present Physics-Informed Convolutional Neural Networks(PICNN) as a hybrid scientific theory and data method for reservoir modeling. Besides labeled data, the model is driven by the scientific theories of the underlying problem, such as governing equations, boundary conditions, and initial conditions. PICNN integrates governing equations and boundary conditions into the network architecture in the form of a customized convolution kernel. The loss function is composed of data matching, initial conditions, and other measurable prior knowledge. By customizing the convolution kernel and minimizing the loss function, the neural network parameters not only fit the data but also honor the governing equation. The PICNN provides a methodology to model and history-match flow and transport problems in porous media. Numerical results demonstrate that the proposed PICNN can provide an accurate physical solution from a limited dataset. We show how this method can be applied in the context of a forward simulation for continuous problems. Furthermore, several complex scenarios are tested, including the existence of data noise, different work schedules, and different good patterns.

Keywords: convolutional neural networks, deep learning, flow and transport in porous media, physics-informed neural networks, reservoir simulation

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Authors: C. S. Sona, Makrand A. Khanwale, Channamallikarjun S. Mathpati

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New generation nuclear power plants are currently being developed to be highly economical, to be passive safe, to produce hydrogen. An important feature of these reactors will be the use of coolants at temperature higher than that being used in current nuclear reactors. The molten fluoride salt with a eutectic composition of 46.5% LiF - 11.5% NaF - 42% KF (mol %) commonly known as FLiNaK is a leading candidate for heat transfer coolant for these nuclear reactors. CFD simulations were carried out using large eddy simulations to investigate the flow characteristics of molten FLiNaK at 850°C at a Reynolds number of 10,500 in a cylindrical pipe. Simulation results have been validated with the help of mean velocity profile using direct numerical simulation data. Transient velocity information was used to identify and characterise turbulent structures which are important for transfer of heat across solid-fluid interface. A wavelet transform based methodology called wavelet transform modulus maxima was used to identify and characterise the singularities. This analysis was also used for flow visualisation, and also to calculate the heat transfer coefficient using small eddy model. The predicted Nusselt number showed good agreement with the available experimental data.

Keywords: FLiNaK, heat transfer, molten salt, turbulent structures

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Authors: Amir Jalalian-Khakshour, T. N. Croft

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Vertical Axis Wind Turbine (VAWT) systems are becoming increasingly popular as they have a number of advantages over traditional wind turbines. The advantages are reliability, ease of transportation and manufacturing. These attributes could make these technologies useful in developing economies. The performance characteristics of a VAWT are different from a horizontal axis wind turbine, which can be attributed to the low tip speed ratio operation. To unlock the potential of these VAWT systems, the operational behaviour in a number of system topologies and environmental conditions needs to be understood. In this study, a non-linear dynamic simulation method was developed in Matlab and validated against in field data of a large scale, 8-meter rotor diameter prototype. This simulation method has been utilised to determine the performance characteristics of a number of control methods and system topologies. The motivation for this research was to develop a simulation method which accurately captures the operating behaviour and is computationally inexpensive. The model was used to evaluate the performance through parametric studies and optimisation techniques. The study gave useful insights into the applications and energy generation potential of this technology.

Keywords: power generation, renewable energy, rotordynamics, wind energy

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Authors: Lu Zhao, Nadir Farhi, Zoi Christoforou, Nadia Haddadou

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The safety test of deploying intelligent connected vehicles (ICVs) on the road network is a critical challenge. Road traffic network simulation can be used to test the functionality of ICVs, which is not only time-saving and less energy-consuming but also can create scenarios with car collisions. However, the relationship between different human driver behaviors and the car-collision occurrences has been not understood clearly; meanwhile, the procedure of car-collisions generation in the traffic numerical simulators is not fully integrated. In this paper, we propose an approach to identify specific driver profiles from real driven data; then, we replicate them in numerical traffic simulations with the purpose of generating inter-vehicular collisions. We proposed three profiles: (i) 'aggressive': short time-headway, (ii) 'inattentive': long reaction time, and (iii) 'normal' with intermediate values of reaction time and time-headway. These three driver profiles are extracted from the NGSIM dataset and simulated using the intelligent driver model (IDM), with an extension of reaction time. At last, the generation of inter-vehicular collisions is performed by varying the percentages of different profiles.

Keywords: vehicular collisions, human driving behavior, traffic modeling, car-following models, microscopic traffic simulation

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Authors: Nadia Hammouda, Kamel Belmokre

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Organic coatings are widely employed in the corrosion protection of most metal surfaces, particularly steel. They provide a barrier against corrosive species present in the environment, due to their high resistance to oxygen, water and ions transport. This study focuses on the evaluation of corrosion protection performance of epoxy paint on the carbon steel surface in sea water by Electrochemical Impedance Spectroscopy (EIS). The electrochemical behavior of painted surface was estimated by EIS parameters that contained paint film resistance, paint film capacitance and double layer capacitance. On the basis of calculation using EIS spectrums it was observed that pore resistance (Rpore) decreased with the appearance of doubled layer capacitance (Cdl) due to the electrolyte penetration through the film. This was further confirmed by the decrease of diffusion resistance (Rd) which was also the indicator of the deterioration of paint film protectiveness.

Keywords: epoxy paints, carbon steel, electrochemical impedance spectroscopy, corrosion mechanisms, sea water

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Authors: Kim Quy Le, Duan Fei, Jia Wei Chew, Jun Zeng, Maria Fabiola Leyva

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In line with the sustainable development goal, molded fiber products play important roles in reducing plastic-based packaging. To fabricate molded fiber products, besides using conventional meshing tools, 3D printing is employed to manufacture the molded fiber screen. 3D printing technique allows printing molded fiber screens with complex geometry, flexible in pore size and shape. The 3D printed molded fiber screens are in the progress of investigation to improve the de-watering efficiency, fiber collection, mechanical strength, etc. In addition, the fiber distribution on the screen is also necessary to access the quality of the screen. Besides using experimental methods to capture the fiber distribution on screen, simulation also offers using tools to access the uniformity of fiber. In this study, the fiber was simulated using the multi-sphere model to simulate the fibers. The interaction of the fibers was able to mimic by employing the discrete element method. The fiber distribution was captured and compared to the experiment. The simulation results were able to reveal the fiber deposition layer upon layer and explain the formation of uneven thickness on the tilted area of molded fiber screen.

Keywords: 3D printing, multi-jet fusion, molded fiber screen, discrete element method

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Authors: Jin A Ryu, Hee Sun Kim

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As the number of fire accidents is gradually raising, many studies have been reported on evacuation. Previous studies have mostly focused on evaluating the safety of evacuation and the risk of fire in particular buildings. However, studies on effects of various parameters on evacuation have not been nearly done. Therefore, this paper aims at observing evacuation time under the effect of fire initiated location. In this study, evacuation simulations are performed on a 5-floor building located in Seoul, South Korea using the commercial program, Fire Dynamics Simulator with Evacuation (FDS+EVAC). Only the fourth and fifth floors are modeled with an assumption that fire starts in a room located on the fourth floor. The parameter for evacuation simulations is location of fire initiation to observe the evacuation time and safety. Results show that the location of fire initiation is closer to exit, the more time is taken to evacuate. The case having the nearest location of fire initiation to exit has the lowest ratio of successful occupants to the total occupants. In addition, for safety evaluation, the evacuation time calculated from computer simulation model is compared with the tolerable evacuation time according to code in Japan. As a result, all cases are completed within the tolerable evacuation time. This study allows predicting evacuation time under various conditions of fire and can be used to evaluate evacuation appropriateness and fire safety of building.

Keywords: fire simulation, evacuation simulation, temperature, evacuation safety

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Authors: S. Boukais, A. Nekmouche, N. Khelil, A. Kezmane

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The first intent of this study is to develop a finite element model that can predict correctly the behavior of the reinforced concrete column. Second aim is to use the finite element model to investigate and evaluate the effect of the strengthening method by jacketing of the reinforced concrete column, by considering different interface contact between the old and the new concrete. Four models were evaluated, one by considering perfect contact, the other three models by using friction coefficient of 0.1, 0.3 and 0.5. The simulation was carried out by using Abaqus software. The obtained results show that the jacketing reinforcement led to significant increase of the global performance of the behavior of the simulated reinforced concrete column.

Keywords: strengthening, jacketing, rienforced concrete column, Abaqus, simulation

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Authors: Adji Achmad Rinaldo Fernandes

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SEM analysis is a complex multivariate analysis because it involves a number of exogenous and endogenous variables that are interconnected to form a model. The measurement model is divided into two, namely, the reflective model (reflecting) and the formative model (forming). Before carrying out further tests on SEM, there are assumptions that must be met, namely the linearity assumption, to determine the form of the relationship. There are three modeling approaches to path analysis, including parametric, nonparametric and semiparametric approaches. The aim of this research is to develop semiparametric SEM and obtain the best model. The data used in the research is secondary data as the basis for the process of obtaining simulation data. Simulation data was generated with various sample sizes of 100, 300, and 500. In the semiparametric SEM analysis, the form of the relationship studied was determined, namely linear and quadratic and determined one and two knot points with various levels of error variance (EV=0.5; 1; 5). There are three levels of closeness of relationship for the analysis process in the measurement model consisting of low (0.1-0.3), medium (0.4-0.6) and high (0.7-0.9) levels of closeness. The best model lies in the form of the relationship X1Y1 linear, and. In the measurement model, a characteristic of the reflective model is obtained, namely that the higher the closeness of the relationship, the better the model obtained. The originality of this research is the development of semiparametric SEM, which has not been widely studied by researchers.

Keywords: semiparametric SEM, measurement model, structural model, reflective model, formative model

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Authors: Sudha Bhutada, S. R. Nigam

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In this paper, a single-phase PV inverter applying a dual boost converter circuit inverter is proposed for photovoltaic (PV) generation system and PV grid connected system. This system is designed to improve integration of a Single phase inverter with Photovoltaic panel. The DC 24V is converted into to 86V DC and then 86V DC to 312V DC. The 312 V DC is then successfully inverted to AC 220V. Hence, solar energy is powerfully converted into electrical energy for fulfilling the necessities of the home load, or to link with the grid. Matlab Simulation software was used for simulation of the circuit and outcome are presented in this paper.

Keywords: H bridge inverter, dual boost converter, PWM, SPWM

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Authors: K. C. R.Perera, V. P. C Dassanayake, B. M. Hapuwatte, B. G. Smapath

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This paper presents a methodology to harvest the kinetic energy of the raindrops using piezoelectric devices. In the study 1m×1m PVDF (Polyvinylidene fluoride) piezoelectric membrane, which is fixed by the four edges, is considered for the numerical simulation on deformation of the membrane due to the impact of the raindrops. Then according to the drop size of the rain, the simulation is performed classifying the rainfall types into three categories as light stratiform rain, moderate stratiform rain and heavy thundershower. The impact force of the raindrop is dependent on the terminal velocity of the raindrop, which is a function of raindrop diameter. The results were then analyzed to calculate the harvestable energy from the deformation of the piezoelectric membrane.

Keywords: raindrop, piezoelectricity, deformation, terminal velocity

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Authors: V. B. Bastos, M. P. Lima, P. R. G. Kurka

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This paper applies to the creation of virtual 3D environments for the study and development of mobile robot image based navigation algorithms and techniques, which need to operate robustly and efficiently. The test of these algorithms can be performed in a physical way, from conducting experiments on a prototype, or by numerical simulations. Current simulation platforms for robotic applications do not have flexible and updated models for image rendering, being unable to reproduce complex light effects and materials. Thus, it is necessary to create a test platform that integrates sophisticated simulated applications of real environments for navigation, with data and image processing. This work proposes the development of a high-level platform for building 3D model’s environments and the test of image-based navigation algorithms for mobile robots. Techniques were used for applying texture and lighting effects in order to accurately represent the generation of rendered images regarding the real world version. The application will integrate image processing scripts, trajectory control, dynamic modeling and simulation techniques for physics representation and picture rendering with the open source 3D creation suite - Blender.

Keywords: simulation, visual navigation, mobile robot, data visualization

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Authors: Michael Campbell, Malaz Elsaddig, Kevin Jones

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Background: Despite encouraging progress, global maternal mortality has remained stubbornly high since the declaration of the Millennium development goals. Sub-Saharan Africa accounts for well over half of maternal deaths with Post-Partum Haemorrhage (PPH) being the lead cause. ‘In house’ simulation training delivered by local doctors may be a sustainable approach for improving emergency obstetric care. The aim of this study was to evaluate the use of a Train-the-Trainer (TtT) model in a rural Ugandan hospital to ascertain whether it can feasibly improve practitioners’ management of PPH. Methods: Three Ugandan doctors underwent a training course to enable them to design and deliver simulation training. These doctors used MamaNatalie® models to simulate PPH scenarios for midwives, nurses and medical students. The main outcome was improvement in participants’ knowledge and confidence, assessed using self-reported scores on a 10-point scale. Results: The TtT model produced significant improvements in the confidence and knowledge scores of the ten participants. The mean confidence score rose significantly (p=0.0005) from 6.4 to 8.6 following the simulation training. There was also a significant increase in the mean knowledge score from 7.2 to 9.0 (p=0.04). Medical students demonstrated the greatest overall increase in confidence scores whilst increases in knowledge scores were largest amongst nurses. Conclusions: This study demonstrates that a TtT model can be used in a low resource setting to improve healthcare professionals’ confidence and knowledge in managing obstetric emergencies. This Train-the-Trainer model represents a sustainable approach to addressing skill deficits in low resource settings. We believe that its expansion across healthcare institutions in Sub-Saharan Africa will help to reduce the region’s high maternal mortality rate and step closer to achieving the ambitions of the Millennium development goals.

Keywords: low resource setting, post-partum haemorrhage, simulation training, train the trainer

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Authors: Sujing Wang, Song Wang, Jian Zhang, Qiang Xu

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Flaring emissions during abnormal operating conditions such as plant start-ups, shut-downs, and upsets in chemical process industries (CPI) are usually significant. Flare minimization can help to save raw material and energy for CPI plants, and to improve local environmental sustainability. In this paper, a systematic methodology based on plant-wide dynamic simulation is presented for CPI plant flare minimizations under abnormal operating conditions. Since off-specification emission sources are inevitable during abnormal operating conditions, to significantly reduce flaring emission in a CPI plant, they must be either recycled to the upstream process for online reuse, or stored somewhere temporarily for future reprocessing, when the CPI plant manufacturing returns to stable operation. Thus, the off-spec products could be reused instead of being flared. This can be achieved through the identification of viable design and operational strategies during normal and abnormal operations through plant-wide dynamic scheduling, simulation, and optimization. The proposed study includes three stages of simulation works: (i) developing and validating a steady-state model of a CPI plant; (ii) transiting the obtained steady-state plant model to the dynamic modeling environment; and refining and validating the plant dynamic model; and (iii) developing flare minimization strategies for abnormal operating conditions of a CPI plant via a validated plant-wide dynamic model. This cost-effective methodology has two main merits: (i) employing large-scale dynamic modeling and simulations for industrial flare minimization, which involves various unit models for modeling hundreds of CPI plant facilities; (ii) dealing with critical abnormal operating conditions of CPI plants such as plant start-up and shut-down. Two virtual case studies on flare minimizations for start-up operation (over 50% of emission savings) and shut-down operation (over 70% of emission savings) of an ethylene plant have been employed to demonstrate the efficacy of the proposed study.

Keywords: flare minimization, large-scale modeling and simulation, plant shut-down, plant start-up

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Authors: Thomas Merciris, Mathieu Masquere, Yann Cressault, Pascale Petit

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The goal of an alternative current (AC) switching device is to allow the arc (created during the opening phase of the contacts) to extinguish at the current zero. The plasma temperature rate of cooling down, the electrical characteristic of the arc (current-voltage), and the rise rate of the transient recovery voltage (TRV) are critical parameters which influence the performance of a switching device. To simulate the thermal extinction of the arc and to obtain qualitative data on the processes responsible for this phenomenon, a 1D MHD fluid model in the air was developed and coupled to an external electric circuit. After thermal extinction, the dielectric strength of the hot air (< 4kK) was then estimated by the Bolsig+ software and the critical electric fields method with the temperature obtained by the MHD simulation. The influence of copper Cu and silver Ag vapors was investigated on the thermal and dielectric part of the simulation with various current forms (100A to 1kA). Finally, those values of dielectric strength have been compared to the experimental values obtained in the case of two separating silver contacts. The preliminary results seem to indicate the dielectric strength after multiples hundreds of microseconds is the same order of magnitude as experimentally found.

Keywords: MHD simulation, dielectric recovery, Bolsig+, silver vapors, copper vapors, breakers, electric arc

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Authors: Eduardo Martínez González, Mousumi Dey, Pekka Peljo

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Transitioning to a renewable energy model is inevitable owing to the effects of climate change. These energies are aimed at sustainability and a positive impact on the environment, but they are intermittent energies; their connection to the electrical grid depends on creating long-term, efficient, and low-cost energy storage devices. Redox flow batteries are attractive technologies to address this problem, as they store energy in solution through external tanks known as posolyte (solution to storage positive charge) and negolyte (solution to storage negative charge). During the charging process of the device, the posolyte and negolyte solutions are pumped into an electrochemical cell (which has the anode and cathode separated by an ionic membrane), where they undergo oxidation and reduction reactions at electrodes, respectively. The electrogenerated species should be stable and diffuse into the bulk solution. It has been possible to connect gigantic redox flow batteries to the electrical grid. However, the devices created do not fit with the sustainability criteria since their electroactive material consists of vanadium (material scarce and expensive) solutions dissolved in an acidic medium (e.g., 9 mol L-1 of H₂SO₄) that is highly corrosive; so, work is being done on the design of organic-electroactive electrolytes (posolytes and nogolytes) for their operation at different pH values, including neutral medium. As a main characteristic, negolyte species should have low reduction potential values, while the reverse is true for the oxidation process of posolytes. A wide variety of negolytes that store 1 and up to 2 electrons per molecule (in aqueous medium) have been publised. Gallocyanine compound was recently introduced as an electroactive material for developing alkaline flow battery negolytes. The system can storage two electrons per molecule, but its unexpectedly low water solubility was improved with an amino sulphonic acid additive. The cycling stability of and improved gallocyanine electrolyte was demonstrated by operating a flow battery cell (pairing the system to a posolyte composed of ferri/ferrocyanide solution) outside a glovebox. We also discovered that the additive improves the solubility of gallocyanine, but there is a kinetic price to pay for this advantage. Therefore, in this work, the effect of different amino sulphonic acid derivatives on the kinetics and solubility of gallocyanine compound was studied at alkaline solutions. The additive providing a faster electron transfer rate and high solubility was tested in a flow battery cell. An aqueous organic flow battery electrolyte working outside a glovebox with 15 mAhL-1 will be discussed. Acknowledgments: To Bi3BoostFlowBat Project (2021-2025), funded by the European Research Concil. For support with infrastructure, reagents, and a postdoctoral fellowship to Dr. Martínez-González.

Keywords: alkaline flow battery, gallocyanine electroactive material, amine-sulphonic acid additives, improved solubility

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Authors: S. S. Rwanga, J. M. Ndambuki

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Groundwater quantification needs a method which is not only flexible but also reliable in order to accurately quantify its spatial and temporal variability. As groundwater is dynamic and interdisciplinary in nature, an integrated approach of remote sensing (RS) and GIS technique is very useful in various groundwater management studies. Thus, the GIS water balance model (WetSpass) together with remote sensing (RS) can be used to quantify groundwater recharge. This paper discusses the concept of WetSpass in combination with GIS on the quantification of recharge with a view to managing water resources in an integrated framework. The paper presents the simulation procedures and expected output after simulation. Preliminary data are presented from GIS output only.

Keywords: groundwater, recharge, GIS, WetSpass

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Authors: Alireza Changizi, Arash Rezaei, Jamal Muhammad, Jyrki Latokartano, Minna Lanz

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Offline programming (OLP) is a new method in robot programming which is used widely in the industry nowadays which is a simulation base method that can produce the robot codes for motion according to virtual world in the simulation software. In this project Delmia v5 is used as simulation software. First the work cell component was modelled by Catia v5 and all of them was imported to a process file in Delmia and placed roughly to form the virtual work cell. Then robot was added to the work cell from the Delmia library. Work cell was calibrated corresponding to real world work cell to have accurate code. Tool calibration is the first step of calibration scheme and then work cell equipment can be calibrated using 6 point calibration method. Finally generated code needs to be reformed to match related controller code instruction. At the last stage IO were set to accomplish robots cooperation and make their motion synchronized. The pros and cons also will be discussed to clarify the presented results show the feasibility of the method and its effect on production line efficiency. Finally the positive and negative points of the implementation will be discussed.

Keywords: robotic, automated, production, offline programming, CAD

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Authors: Charmaine Lamiel, Van Hoa Nguyen, Jae-Jin Shim

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Supercapacitors are energy storage devices capable of storing more energy than conventional capacitors and have higher power density than batteries. The advantages of this method include the non-use of reducing agents and acidic medium, and no further use of a post-heat treatment unlike the conventional processes, in which calcination is generally employed after obtaining the initial product. Furthermore, it also offers a shorter reaction time at low temperatures and low power requirements, which allows low fabrication and energy cost. In this study, microwave irradiation was used for the facile and rapid synthesis of mesoporous RGO@(Co,Mn)3O4 nanosheets as an electrode material. The as-prepared electrode exhibited a high capacitance of 953 F•g^−1 at 1 A•g^−1 in a 6 M KOH electrolyte solution. Moreover, the electrode exhibited a high energy density of 76.2 Wh•kg^−1 at a power density of 720 W•kg^−1, and a high power density of 7200 W•kg^−1 at an energy density of 38 Wh•kg^−1. The successful methodology was considered to be efficient and cost-effective, thereby providing an active electrode material with very promising electrochemical performance.

Keywords: cobalt-manganese oxide, electrochemical, graphene, microwave synthesis, supercapacitor

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Authors: I. Baddari, A. Riahla, M. Mezghich

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Today in the literature, we discover a lot of routing algorithms which some have been the subject of normalization. Two great classes Routing algorithms are defined, the first is the class reactive algorithms and the second that of algorithms proactive. The aim of this work is to make a comparative study between some routing algorithms. Two comparisons are considered. The first will focus on the protocols of the same class and second class on algorithms of different classes (one reactive and the other proactive). Since they are not based on analytical models, the exact evaluation of some aspects of these protocols is challenging. Simulations have to be done in order to study their performances. Our simulation is performed in NS2 (Network Simulator 2). It identified a classification of the different routing algorithms studied in a metrics such as loss of message, the time transmission, mobility, etc.

Keywords: ad-hoc network routing protocol, simulation, NS2, delay, packet loss, wideband, mobility

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Authors: Juntao Li

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The metasurfaces for beam deflecting with gradient silicon posts in the square lattices were fabricated on the thin film crystal silicon with quartz substrate. By using the crystals silicon with high refractive index and high transmission to control the phase over 2π coverage, we demonstrated the polarization independent beam deflecting at wavelength of 532nm with 45% transmission in experiment and 70% in simulation into the desired angle. This simulation efficiency is almost close to the TiO2 metasurfaces but has higher refractive index and lower aspect ratio to reduce fabrication complexity. The result can extend the application of silicon metalsurfaces from 700 nm to 500 nm hence open a new way to use metasurfaces efficiently in visible light regime.

Keywords: metasurfaces, crystal silicon, light deflection, visible light

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Authors: Andreas D. Jansson

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The availability of inexpensive, yet competent hardware allows for increased level of automation and self-optimization in the context of Industry 4.0. However, such agents require high quality information about their surroundings along with a robust strategy for collision avoidance, as they may cause expensive damage to equipment or other agents otherwise. Manually defining a strategy to cover all possibilities is both time-consuming and counter-productive given the capabilities of modern hardware. This paper explores the idea of a model-free self-optimizing obstacle avoidance strategy for multiple autonomous agents in a simulated dynamic environment using the Q-learning algorithm.

Keywords: autonomous vehicles, industry 4.0, multi-agent system, obstacle avoidance, Q-learning, simulation

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Authors: Ali Kadivar, Kaveh Niayesh

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This report summarizes a simulation-based approach to estimate the current interruption behavior of a fuse element utilized in a DC network protecting battery banks under different stresses. Due to internal resistance of the battries, the short circuit current in very close to the nominal current, and it makes the fuse designation tricky. The base configuration considered in this report consists of five fuse units in parallel. The simulations are performed using a multi-physics software package, COMSOL® 5.6, and the necessary material parameters have been calculated using two other software packages.The first phase of the simulation starts with the heating of the fuse elements resulted from the current flow through the fusing element. In this phase, the heat transfer between the metallic strip and the adjacent materials results in melting and evaporation of the filler and housing before the aluminum strip is evaporated and the current flow in the evaporated strip is cut-off, or an arc is eventually initiated. The initiated arc starts to expand, so the entire metallic strip is ablated, and a long arc of around 20 mm is created within the first 3 milliseconds after arc initiation (v_elongation = 6.6 m/s. The final stage of the simulation is related to the arc simulation and its interaction with the external circuitry. Because of the strong ablation of the filler material and venting of the arc caused by the melting and evaporation of the filler and housing before an arc initiates, the arc is assumed to burn in almost pure ablated material. To be able to precisely model this arc, one more step related to the derivation of the transport coefficients of the plasma in ablated urethane was necessary. The results indicate that an arc current interruption, in this case, will not be achieved within the first tens of milliseconds. In a further study, considering two series elements, the arc was interrupted within few milliseconds. A very important aspect in this context is the potential impact of many broken strips parallel to the one where the arc occurs. The generated arcing voltage is also applied to the other broken strips connected in parallel with arcing path. As the gap between the other strips is very small, a large voltage of a few hundred volts generated during the current interruption may eventually lead to a breakdown of another gap. As two arcs in parallel are not stable, one of the arcs will extinguish, and the total current will be carried by one single arc again. This process may be repeated several times if the generated voltage is very large. The ultimate result would be that the current interruption may be delayed.

Keywords: DC network, high current / low SC fuses, FEM simulation, paralle fuses

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Authors: masmoudi Jabri Khaoula, Zitouni Hana, Bousselmi Latifa, Akrout Hanen

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Mathematical modeling has become an essential tool for sustainable wastewater management, particularly for the simulation and the optimization of complex processes involved in activated sludge systems. In this context, the activated sludge model (ASM3h) was used for the simulation of a Biological Membrane Reactor (MBR) as it includes the integration of biological wastewater treatment and physical separation by membrane filtration. In this study, the MBR with a useful volume of 12.5 L was fed continuously with poultry slaughterhouse wastewater (PSWW) for 50 days at a feed rate of 2 L/h and for a hydraulic retention time (HRT) of 6.25h. Throughout its operation, High removal efficiency was observed for the removal of organic pollutants in terms of COD with 84% of efficiency. Moreover, the MBR has generated a treated effluent which fits with the limits of discharge into the public sewer according to the Tunisian standards which were set in March 2018. In fact, for the nitrogenous compounds, average concentrations of nitrate and nitrite in the permeat reached 0.26±0.3 mg. L-1 and 2.2±2.53 mg. L-1, respectively. The simulation of the MBR process was performed using SIMBA software v 5.0. The state variables employed in the steady state calibration of the ASM3h were determined using physical and respirometric methods. The model calibration was performed using experimental data obtained during the first 20 days of the MBR operation. Afterwards, kinetic parameters of the model were adjusted and the simulated values of COD, N-NH4+and N- NOx were compared with those reported from the experiment. A good prediction was observed for the COD, N-NH4+and N- NOx concentrations with 467 g COD/m³, 110.2 g N/m³, 3.2 g N/m³ compared to the experimental data which were 436.4 g COD/m³, 114.7 g N/m³ and 3 g N/m³, respectively. For the validation of the model under dynamic simulation, the results of the experiments obtained during the second treatment phase of 30 days were used. It was demonstrated that the model simulated the conditions accurately by yielding a similar pattern on the variation of the COD concentration. On the other hand, an underestimation of the N-NH4+ concentration was observed during the simulation compared to the experimental results and the measured N-NO3 concentrations were lower than the predicted ones, this difference could be explained by the fact that the ASM models were mainly designed for the simulation of biological processes in the activated sludge systems. In addition, more treatment time could be required by the autotrophic bacteria to achieve a complete and stable nitrification. Overall, this study demonstrated the effectiveness of mathematical modeling in the prediction of the performance of the MBR systems with respect to organic pollution, the model can be further improved for the simulation of nutrients removal for a longer treatment period.

Keywords: activated sludge model (ASM3h), membrane bioreactor (MBR), poultry slaughter wastewater (PSWW), reuse

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Authors: Timilehin Martins Oyinloye, Won Byong Yoon

Abstract:

Simulation technology is being adopted in many industries, with research focusing on the development of new ways in which technology becomes embedded within production, services, and society in general. 3D printing (3DP) technology is fast developing in the food industry. However, the limited processability of high-performance material restricts the robustness of the process in some cases. Significantly, the printability of materials becomes the foundation for extrusion-based 3DP, with residual stress being a major challenge in the printing of complex geometry. In many situations, the trial-a-error method is being used to determine the optimum printing condition, which results in time and resource wastage. In this report, the analysis of 3 moisture levels for surimi paste was investigated for an optimum 3DP material and printing conditions by probing its rheology, flow characteristics in the nozzle, and post-deposition process using the finite element method (FEM) model. Rheological tests revealed that surimi pastes with 82% moisture are suitable for 3DP. According to the FEM model, decreasing the nozzle diameter from 1.2 mm to 0.6 mm, increased the die swell from 9.8% to 14.1%. The die swell ratio increased due to an increase in the pressure gradient (1.15107 Pa to 7.80107 Pa) at the nozzle exit. The nozzle diameter influenced the fluid properties, i.e., the shear rate, velocity, and pressure in the flow field, as well as the residual stress and the deformation of the printed sample, according to FEM simulation. The post-printing stability of the model was investigated using the additive layer manufacturing (ALM) model. The ALM simulation revealed that the residual stress and total deformation of the sample were dependent on the nozzle diameter. A small nozzle diameter (0.6 mm) resulted in a greater total deformation (0.023), particularly at the top part of the model, which eventually resulted in the sample collapsing. As the nozzle diameter increased, the accuracy of the model improved until the optimum nozzle size (1.0 mm). Validation with 3D-printed surimi products confirmed that the nozzle diameter was a key parameter affecting the geometry accuracy of 3DP of surimi paste.

Keywords: 3D printing, deformation analysis, die swell, numerical simulation, surimi paste

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Authors: Jun-Geol Park, Kyoung-Il Do, Min-Ju Kwon, Kyung-Hyun Park, Yong-Seo Koo

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This paper analyzed the SCR (Silicon Controlled Rectifier)-based ESD (Electrostatic Discharge) protection circuits with the turn-on time characteristics. The structures are the LVTSCR (Low Voltage Triggered SCR), the ZTSCR (Zener Triggered SCR) and the PTSCR (P-Substrate Triggered SCR). The three structures are for the 5V power clamp. In general, the structures with the low trigger voltage structure can have the fast turn-on characteristics than other structures. All the ESD protection circuits have the low trigger voltage by using the N+ bridge region of LVTSCR, by using the zener diode structure of ZTSCR, by increasing the trigger current of PTSCR. The simulation for the comparison with the turn-on time was conducted by the Synopsys TCAD simulator. As the simulation results, the LVTSCR has the turn-on time of 2.8 ns, ZTSCR of 2.1 ns and the PTSCR of 2.4 ns. The HBM simulation results, however, show that the PTSCR is the more robust structure of 430K in HBM 8kV standard than 450K of LVTSCR and 495K of ZTSCR. Therefore the PTSCR is the most effective ESD protection circuit for the 5V power clamp.

Keywords: ESD, SCR, turn-on time, trigger voltage, power clamp

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Authors: Sidi Mohamed Mesli, Mohamed Habchi, Mohamed Kotbi, Rafik Benallal, Abdelali Derouiche

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Fluoride glasses with a nominal composition of BaMnMF7 (M = FeV assuming isomorphous replacement) have been structurally modelled through the simultaneous simulation of their neutron diffraction patterns by a reverse Monte Carlo (RMC) model and by a Rietveld for disordered materials (RDM) method. Model is consistent with an expected network of interconnected [MF6] polyhedra. The RMC results are accompanied by artificial satellite peaks. To remedy this problem, we use an extension of the RMC algorithm, which introduces an energy penalty term in acceptance criteria. This method is called the Hybrid Reverse Monte Carlo (HRMC) method. The idea of this paper is to apply the (HRMC) method to the title glasses, in order to make a study of the phenomenon nature of order and disorder by displaying and discussing the partial pair distribution functions (PDFs) g(r). We suggest that this method can be used to describe average correlations between components of fluoride glass or similar system.

Keywords: fluoride glasses, RMC simulation, neutron scattering, hybrid RMC simulation, Lennard-Jones potential, partial pair distribution functions

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Authors: Adrián D. García-Soto, Alejandro Hernández-Martínez, Jesús G. Valdés-Vázquez, Reyna A. Vizguerra-Alvarez

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Reinforced concrete bridges designed by code are intended to achieve target reliability levels adequate for the geographical environment where the code is applicable. Several methods can be used to estimate such reliability levels. Many of them require the establishment of an explicit limit state function (LSF). When such LSF is not available as a close-form expression, the simulation techniques are often employed. The simulation methods are computing intensive and time consuming. Note that if the reliability of real bridges designed by code is of interest, numerical schemes, the finite element method (FEM) or computational mechanics could be required. In these cases, it can be quite difficult (or impossible) to establish a close-form of the LSF, and the simulation techniques may be necessary to compute reliability levels. To overcome the need for a large number of simulations when no explicit LSF is available, the point estimate method (PEM) could be considered as an alternative. It has the advantage that only the probabilistic moments of the random variables are required. However, in the PEM, fitting of the resulting moments of the LSF to a probability density function (PDF) is needed. In the present study, a very simple alternative which allows the assessment of the reliability levels when no explicit LSF is available and without the need of extensive simulations is employed. The alternative includes the use of the PEM, and its applicability is shown by assessing reliability levels of reinforced concrete bridges in Mexico when a numerical scheme is required. Comparisons with results by using the Monte Carlo simulation (MCS) technique are included. To overcome the problem of approximating the probabilistic moments from the PEM to a PDF, a well-known distribution is employed. The approach mixes the PEM and other classic reliability method (first order reliability method, FORM). The results in the present study are in good agreement whit those computed with the MCS. Therefore, the alternative of mixing the reliability methods is a very valuable option to determine reliability levels when no close form of the LSF is available, or if numerical schemes, the FEM or computational mechanics are employed.

Keywords: structural reliability, reinforced concrete bridges, combined approach, point estimate method, monte carlo simulation

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Authors: Maedeh Rahimnejad, Bahman Vahidi, Bahman Ebrahimi Hoseinzadeh, Fatemeh Yazdian, Puria Motamed Fath, Roghieh Jamjah

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Introduction: The intensive labor and high cost of developing new vehicles for controlled drug delivery highlights the need for a change in their discovery process. Computational models can be used to accelerate experimental steps and control the high cost of experiments. Methods: In this work, to better understand the interaction of anti-cancer drug and the nanocarrier with the cell membrane, we have done molecular dynamics simulation using NAMD. We have chosen paclitaxel for the drug molecule and dipalmitoylphosphatidylcholine (DPPC) as a natural phospholipid nanocarrier. Results: Next, center of mass (COM) between molecules and the van der Waals interaction energy close to the cell membrane has been analyzed. Furthermore, the simulation results of the paclitaxel interaction with the cell membrane and the interaction of DPPC as a nanocarrier loaded by the drug with the cell membrane have been compared. Discussion: Analysis by molecular dynamics (MD) showed that not only the energy between the nanocarrier and the cell membrane is low, but also the center of mass amount decreases in the nanocarrier and the cell membrane system during the interaction; therefore they show significantly better interaction in comparison to the individual drug with the cell membrane.

Keywords: anti-cancer drug, center of mass, interaction energy, molecular dynamics simulation, nanocarrier

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Authors: M. Khorshed Alam, H. Takaba

Abstract:

The catalytic properties of metal usually change by intermixturing with another metal in polymer electrolyte fuel cells. Pt-Ru alloy is one of the much-talked used alloy to enhance the CO oxidation. In this work, we have investigated the CO coverage on the Pt2Ru3 nanoparticle with different atomic conformation of Pt and Ru using a combination of material informatics with computational chemistry. Density functional theory (DFT) calculations used to describe the adsorption strength of CO and H with different conformation of Pt Ru ratio in the Pt2Ru3 slab surface. Then through the Monte Carlo (MC) simulations we examined the segregation behaviour of Pt as a function of surface atom ratio, subsurface atom ratio, particle size of the Pt2Ru3 nanoparticle. We have constructed a regression equation so as to reproduce the results of DFT only from the structural descriptors. Descriptors were selected for the regression equation; xa-b indicates the number of bonds between targeted atom a and neighboring atom b in the same layer (a,b = Pt or Ru). Terms of xa-H2 and xa-CO represent the number of atoms a binding H2 and CO molecules, respectively. xa-S is the number of atom a on the surface. xa-b- is the number of bonds between atom a and neighboring atom b located outside the layer. The surface segregation in the alloying nanoparticles is influenced by their component elements, composition, crystal lattice, shape, size, nature of the adsorbents and its pressure, temperature etc. Simulations were performed on different size (2.0 nm, 3.0 nm) of nanoparticle that were mixing of Pt and Ru atoms in different conformation considering of temperature range 333K. In addition to the Pt2Ru3 alloy we also considered pure Pt and Ru nanoparticle to make comparison of surface coverage by adsorbates (H2, CO). Hence, we assumed the pure and Pt-Ru alloy nanoparticles have an fcc crystal structures as well as a cubo-octahedron shape, which is bounded by (111) and (100) facets. Simulations were performed up to 50 million MC steps. From the results of MC, in the presence of gases (H2, CO), the surfaces are occupied by the gas molecules. In the equilibrium structure the coverage of H and CO as a function of the nature of surface atoms. In the initial structure, the Pt/Ru ratios on the surfaces for different cluster sizes were in range of 0.50 - 0.95. MC simulation was employed when the partial pressure of H2 (PH2) and CO (PCO) were 70 kPa and 100-500 ppm, respectively. The Pt/Ru ratios decrease as the increase in the CO concentration, without little exception only for small nanoparticle. The adsorption strength of CO on the Ru site is higher than the Pt site that would be one of the reason for decreasing the Pt/Ru ratio on the surface. Therefore, our study identifies that controlling the nanoparticle size, composition, conformation of alloying atoms, concentration and chemical potential of adsorbates have impact on the steadiness of nanoparticle alloys which ultimately and also overall catalytic performance during the operations.

Keywords: anode catalysts, fuel cells, material informatics, Monte Carlo

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