Search results for: open loop simulation

Authors: Mina Sarabi, Dariush Sattarzadeh, Mitra Asadollahi Oula

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In the old days, gardens reflect the identity and culture of each country. Persian garden in urban planning and architecture has a high position and it is a kind of paradise in Iranian opinion. But nowadays, the gardens were replaced with parks and urban open spaces. On the other hand, due to the industrial development of cities and increasing air pollution in urban environments, living in this spaces make problem for people. And improving ecological conditions will be felt more than ever. The purposes of this study are identification and reproduction of Persian garden pattern and adaptation of it with sustainability features in green spaces in contemporary cities and developing meaningful green spaces instead of designing aimless spaces in urban environment. The research method in this article is analytical and descriptive. Studying and collecting information about Iranian garden pattern is referring to library documents, articles and analysis case studies. The result reveals that Persian garden was the main factor the bond between man and nature. But in the last century, this relationship is in trouble. It has a significant impact in reducing the adverse effects of urban air pollution, noise and etc as well. Nowadays, recreated pattern of Iranian gardens in urban green spaces not only keep Iranian identity for future generations but also, using the principles of sustainability can play an important role in sustainable development and quality space of a city.

Keywords: green open spaces, nature, Persian garden, urban sustainability

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Authors: William Middleton, Nodumo Zulu, Sue Harrison

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Open raceway ponds are currently the most used system for the commercial cultivation of algal biomass, as it is a cost-effective means of production. However, raceway ponds suffer from lower algal productivity when compared to closed photobioreactors. This is due to poor gas exchange between the fluid and the atmosphere. Carbon dioxide (CO₂) mass transfer is a large concern in the production of algae in raceway pond systems. The utilization of atmospheric CO₂ does not support maximal growth; however, CO₂ supplementation in the form of flue gas or concentrated CO₂ is not cost-effective. The introduction of slopes into the raceway system presents a possible improvement to the mass transfer from the air, as seen in previous work conducted at CeBER. Slopes improve turbulence (decreasing the concentration gradient of dissolved CO₂) and can cause air entrainment (allowing for greater surface area and contact time between the air and water). This project tests the findings of previous studies conducted in an indoor lab-scale raceway on a larger scale under outdoor conditions. The addition of slopes resulted in slightly increased CO₂ mass transfer as well as algal growth rate and productivity. However, there were reductions in energy consumption and average fluid velocity in the system. These results indicate a potential to improve the economic feasibility of algal biomass production, but further economic assessment would need to be carried out.

Keywords: algae, raceway ponds, mass transfer, algal culture, biotechnology, reactor design

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Authors: K. Yahia, M. Sahraoui, A. Guettaf

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This paper deals with the problem of stator faults diagnosis in induction motors. Using the discrete wavelet transform (DWT) for the current Park’s vector modulus (CPVM) analysis, the inter-turn short-circuit faults diagnosis can be achieved. This method is based on the decomposition of the CPVM signal, where wavelet approximation and detail coefficients of this signal have been extracted. The energy evaluation of a known bandwidth detail permits to define a fault severity factor (FSF). This method has been tested through the simulation of an induction motor using a mathematical model based on the winding-function approach. Simulation, as well as experimental results, show the effectiveness of the used method.

Keywords: induction motors (IMs), inter-turn short-circuits diagnosis, discrete wavelet transform (DWT), Current Park’s Vector Modulus (CPVM)

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Authors: Saeed Chamehsara, Seyed Mostafa Mirsalim, Mehdi Tajdari

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In this study, the effect of fuel injection discharge curve and injection pressure simultaneously for upgrading power of heavy duty diesel engine by simulation of combustion process in AVL-Fire software are discussed. Hence, the fuel injection discharge curve was changed from semi-triangular to rectangular which is usual in common rail fuel injection system. Injection pressure with respect to amount of injected fuel and nozzle hole diameter are changed. Injection pressure is calculated by an experimental equation which is for heavy duty diesel engines with common rail fuel injection system. Upgrading power for 1000 and 2000 bar injection pressure are discussed. For 1000 bar injection pressure with 188 mg injected fuel and 3 mm nozzle hole diameter in compare with first state which is semi-triangular discharge curve with 139 mg injected fuel and 3 mm nozzle hole diameter, upgrading power is about 19% whereas the special change has not been observed in cylinder pressure. On the other hand, both the NOX emission and the Soot emission decreased about 30% and 6% respectively. Compared with first state, for 2000 bar injection pressure that injected fuel and nozzle diameter are 196 mg and 2.6 mm respectively, upgrading power is about 22% whereas cylinder pressure has been fixed and NOX emission and the Soot emissions are decreased 36% and 20%, respectively.

Keywords: CFD simulation, HD diesel engine, upgrading power, injection pressure, fuel injection discharge curve, combustion process

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Authors: M. Mesrouk, A. Hadj Arab

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This work allows highlight the effect of dust on the absorption of the optical spectrum on the photovoltaic module, the effect of the particles dust presence on the photovoltaic modules have been a microscopic scale studied with COMSOL Multi-physic software simulation. In this paper, we have supposed the dust layer as a diffraction network repetitive optical structure characterized by the spacing between particle which represented by 'd' and the simulated structure (air-dust particle-glass). In this study we can observe the relationship between the wavelength and the particle spacing, the simulation shows us that the maximum wavelength transmission value corresponding, λ0 = 400nm, which represent the spacing value between the particles dust, d = 400 nm. In fact, we can observe that while increase dust layer density the wavelength transmission value decrease, there is a relationship between the density and wavelength value which can be absorbed in a dusty photovoltaic panel.

Keywords: dust effect, photovoltaic module, spectral absorption, wavelength transmission

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Authors: Agnieszka A. Malinowska, R. Hejmanowski

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A number of European cities are strongly affected by ground movements caused by anthropogenic activities or post-anthropogenic metamorphosis. Those are mainly water pumping, current mining operation, the collapse of post-mining underground voids or mining-induced earthquakes. These activities lead to large and small-scale ground displacements and a ground ruptures. The ground movements occurring in urban areas could considerably affect stability and safety of structures and infrastructures. The complexity of the ground deformation phenomenon in relation to the structures and infrastructures vulnerability leads to considerable constraints in assessing the threat of those objects. However, the increase of access to the free software and satellite data could pave the way for developing new methods and strategies for environmental risk mitigation and management. Open source geographical information systems (OS GIS), may support data integration, management, and risk analysis. Lately, developed methods based on fuzzy logic and experts methods for buildings and infrastructure damage risk assessment could be integrated into OS GIS. Those methods were verified base on back analysis proving their accuracy. Moreover, those methods could be supported by ground displacement observation. Based on freely available data from European Space Agency and free software, ground deformation could be estimated. The main innovation presented in the paper is the application of open source software (OS GIS) for integration developed models and assessment of the threat of urban areas. Those approaches will be reinforced by analysis of ground movement based on free satellite data. Those data would support the verification of ground movement prediction models. Moreover, satellite data will enable our mapping of ground deformation in urbanized areas. Developed models and methods have been implemented in one of the urban areas hazarded by underground mining activity. Vulnerability maps supported by satellite ground movement observation would mitigate the hazards of land displacements in urban areas close to mines.

Keywords: fuzzy logic, open source geographic information science (OS GIS), risk assessment on urbanized areas, satellite interferometry (InSAR)

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Authors: Ali Rahnamoun, Adri van Duin

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The concept of high velocity particle impact on the spacecraft surface materials has been one of the important issues in the design of such materials. Among these particles, water clusters might be the most abundant and the most important particles to be studied. The importance of water clusters is that upon impact on the surface of the materials, they can cause damage to the material and also if they are sub-cooled water clusters, they can attach to the surface of the materials and cause ice accumulation on the surface which is very problematic in spacecraft and also aircraft operations. The dynamics of the collisions between amorphous silica structures and water clusters with impact velocities of 1 km/s to 10 km/s are studied using the ReaxFF reactive molecular dynamics simulation method. The initial water clusters include 150 water molecules and the water clusters are collided on the surface of amorphous fully oxidized and suboxide silica structures. These simulations show that the most abundant molecules observed on the silica surfaces, other than reflecting water molecules, are H3O+ and OH- for the water cluster impacts on suboxide and fully oxidized silica structures, respectively. The effect of impact velocity on the change of silica mass is studied. At high impact velocities the water molecules attach to the silica surface through a chemisorption process meaning that water molecule dissociates through the interaction with silica surface. However, at low impact velocities, physisorbed water molecules are also observed, which means water molecule attaches and accumulates on the silica surface. The amount of physisorbed waters molecules at low velocities is higher on the suboxide silica surfaces. The evolution of the temperatures of the water clusters during the collisions indicates that the possibility of electron excitement at impact velocities less than 10 km/s is minimal and ReaxFF reactive molecular dynamics simulation can predict the chemistry of these hypervelocity impacts. However, at impact velocities close to 10 km/s the average temperature of the impacting water clusters increase to about 2000K, with individual molecules oocasionally reaching temperatures of over 8000K and thus will be prudent to consider the concept of electron excitation at these higher impact velocities which goes beyond the current ReaxFF ability.

Keywords: spacecraft materials, hypervelocity impact, reactive molecular dynamics simulation, amorphous silica

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Authors: Felix Platzer, Eric Fimbinger

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In Discrete Element Method (DEM) simulations, the breakage behavior of particles can be simulated based on different principles. In the case of large, complex-shaped particles that show various breakage patterns depending on the scenario leading to the failure and often only break locally instead of fracturing completely, some of these principles do not lead to realistic results. The reason for this is that in said cases, the methods in question, such as the Particle Replacement Method (PRM) or Voronoi Fracture, replace the initial particle (that is intended to break) into several sub-particles when certain breakage criteria are reached, such as exceeding the fracture energy. That is why those methods are commonly used for the simulation of materials that fracture completely instead of breaking locally. That being the case, when simulating local failure, it is advisable to pre-build the initial particle from sub-particles that are bonded together. The dimensions of these sub-particles consequently define the minimum size of the fracture results. This structure of bonded sub-particles enables the initial particle to break at the location of the highest local loads – due to the failure of the bonds in those areas – with several sub-particle clusters being the result of the fracture, which can again also break locally. In this project, different methods for the generation and calibration of complex-shaped particle conglomerates using bonded particle modeling (BPM) to enable the ability to depict more realistic fracture behavior were evaluated based on the example of filter cake. The method that proved suitable for this purpose and which furthermore allows efficient and realistic simulation of breakage behavior of complex-shaped particles applicable to industrial-sized simulations is presented in this paper.

Keywords: bonded particle model, DEM, filter cake, particle breakage

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Authors: Fatemeh Jaferi, Moslem Parsa, Seyed Mehdi Sajadi

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The project-oriented organizations are more appropriate for sustainable environments. Any effective project-oriented organization should institutionalize its project management processes in such a manner to yield the greatest possible profits. The aim of this paper is to study the relationship between the project management PMBOK guideline (Project Management Body of Knowledge) and simulation technology in project-oriented organizations. The methodology involves using five steps for applying these two tools aimed at enhancing project management processes in the Lorestan Gas Corporation, as one of the project-oriented organization. Results show the implementation of such management approach leads to a 5% performance improvement and using PMBOK can be instrumental in effective delay management. The implementation of the aforementioned improvement package was effective in improving the efficiency of organizational processes; in terms of optimizing the resource utilization that has manifested itself in resource losses and cost reductions.

Keywords: project-orientation, processes, PMBOK, optimization, organization, management

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Authors: Z. Jamalzadeh, A. Niaei, H. Erfannia, S. G. Hosseini, A. S. Razmgir

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Due to developing the industries, the emission of pollutants such as NOx, SOx, and CO2 are rapidly increased. Generally, NOx is attributed to the mono nitrogen oxides of NO and NO2 that is one of the most important atmospheric contaminants. Hence, controlling the emission of nitrogen oxides is urgent environmentally. Selective Catalytic Reduction of NOx is one of the most common techniques for NOx removal in which Zeolites have wide application due to their high performance. In zeolitic processes, the catalytic reaction occurs mostly in the pores. Therefore, investigation the adsorption phenomena of the molecules in order to gain an insight and understand the catalytic cycle is of important. Hence, in current study, molecular simulations is applied for studying the adsorption phenomena in nanocatalysts applied for SCR of NOx process. The effect of cation addition to the support in the catalysts’ behavior through adsorption step was explored by Mont Carlo (MC). Simulation time of 1 Ns accompanying 1 fs time step, COMPASS27 Force Field and the cut off radios of 12.5 Ȧ was applied for performed runs. It was observed that the adsorption capacity increases in the presence of cations. The sorption isotherms demonstrated the behavior of type I isotherm categories and sorption capacity diminished with increase in temperature whereas an increase was observed at high pressures. Besides, NO sorption showed higher sorption capacity than NH3 in H–ZSM5. In this respect, the Energy distributions signified that the molecules could adsorb in just one sorption site at the catalyst and the sorption energy of NO was stronger than the NH3 in H-ZSM5. Furthermore, the isosteric heat of sorption data showed nearly same values for the molecules; however, it indicated stronger interactions of NO molecules with H-ZSM5 Zeolite compared to the isosteric heat of NH3 which was low in value.

Keywords: Monte Carlo simulation, adsorption, NOx, ZSM5

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Authors: Edip Kemal, Sheshov Vlatko, Bojadjieva Julijana, Bogdanovic ALeksandra, Gjorgjeska Irena

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The wave propagation phenomenon in porous domains is of great importance in the field of geotechnical earthquake engineering. In these kinds of problems, the elastic waves propagate from the interior to the exterior domain and require special treatment at the computational level since apart from displacement in the solid-state there is a p-wave that takes place in the pore water phase. In this paper, a study on the implementation of multiphase finite elements is presented. The proposed algorithm is implemented in the ANSYS finite element software and tested on one-dimensional wave propagation considering both pore pressure wave propagation and displacement fields. In the simulation of porous media such as soils, the behavior is governed largely by the interaction of the solid skeleton with water and/or air in the pores. Therefore, coupled problems of fluid flow and deformation of the solid skeleton are considered in a detailed way.

Keywords: wave propagation, multiphase model, numerical methods, finite element method

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Authors: T. Parhizkar, H. Jafarian, F. Aramoun, Y. Saboohi

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Applying motorized shades have substantial effect on reducing energy consumption in building sector. Moreover, the combination of motorized shades with lighting systems and PV panels can lead to considerable reduction in the energy demand of buildings. In this paper, a model is developed to assess and find an optimum combination from shade designs, lighting control systems (dimming and on/off) and implementing PV panels in shades point of view. It is worth mentioning that annual saving for all designs is obtained during hourly simulation of lighting, solar heat flux and electricity generation with the use of PV panel. From 12 designs in general, three designs, two lighting control systems and PV panel option is implemented for a case study. The results illustrate that the optimum combination causes a saving potential of 792kW.hr per year.

Keywords: motorized shades, daylight, cooling load, shade control, hourly simulation

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Authors: Guanyu Jiang, Donghai Xu, Huanteng Liu

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After the Fukushima-Daiichi accident, the development of accident tolerant fuel cladding materials to improve reactor safety has become a hot topic in the field of nuclear industry. ZrO₂ has a satisfactory neutron economy and can guarantee the fission chain reaction process, which enables it to be a promising coating for zirconium alloy cladding. Maintaining a good corrosion resistance in primary coolant loop during normal operations of Pressurized Water Reactors is a prerequisite for ZrO₂ as a protective coating on zirconium alloy cladding. Research on the corrosion performance of ZrO₂ coating in nuclear water chemistry is relatively scarce, and existing reports failed to provide an in-depth explanation for the failure causes of ZrO₂ coating. Herein, a detailed corrosion process of ZrO₂ coating in lithiated water at 360 °C and 18.5 MPa was proposed based on experimental research and molecular dynamics simulation. Lithiated water with different LiOH solutions in the present work was deaerated and had a dissolved oxygen concentration of < 10 ppb. The concentration of Li (as LiOH) was determined to be 2.3 ppm, 70 ppm, and 500 ppm, respectively. Corrosion tests were conducted in a static autoclave. Modeling and corresponding calculations were operated on Materials Studio software. The calculation of adsorption energy and dynamics parameters were undertaken by the Energy task and Dynamics task of the Forcite module, respectively. The protective effect and failure mechanism of ZrO₂ coating on Zry-4 under varied LiOH concentrations was further revealed by comparison with the coating corrosion performance in pure water (namely 0 ppm Li). ZrO₂ coating provided a favorable corrosion protection with the occurrence of localized corrosion at low LiOH concentrations. Factors influencing corrosion resistance mainly include pitting corrosion extension, enhanced Li+ permeation, short-circuit diffusion of O²⁻ and ZrO₂ phase transformation. In highly-concentrated LiOH solutions, intergranular corrosion, internal oxidation, and perforation resulted in coating failure. Zr ions were released to coating surface to form flocculent ZrO₂ and ZrO₂ clusters due to the strong diffusion and dissolution tendency of α-Zr in the Zry-4 substrate. Considering that primary water of Pressurized Water Reactors usually includes 2.3 ppm Li, the stability of ZrO₂ make itself a candidate fuel cladding coating material. Under unfavorable conditions with high Li concentrations, more boric acid should be added to alleviate caustic corrosion of ZrO₂ coating once it is used. This work can provide some references to understand the service behavior of nuclear coatings under variable water chemistry conditions and promote the in-pile application of ZrO₂ coating.

Keywords: ZrO₂ coating, Zry-4, corrosion behavior, failure mechanism, LiOH concentration

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Authors: Danish Idrees, Vijay Kumar, Samudrala Gourinath

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Amyotrophic lateral sclerosis (ALS) is a neurodegenerative disease caused by misfolding and aggregation of Cu, Zn superoxide dismutase (SOD1). The use of small molecules has been shown to stabilize the SOD1 dimer and preventing its dissociation and aggregation. In this study, we employed molecular docking, molecular dynamics simulation and surface plasmon resonance (SPR) to study the interactions between SOD1 and natural polyphenolic compounds. In order to explore the noncovalent interaction between SOD1 and natural polyphenolic compounds, molecular docking and molecular dynamic (MD) simulations were employed to gain insights into the binding modes and free energies of SOD1-polyphenolic compounds. MM/PBSA methods were used to calculate free energies from obtained MD trajectories. The compounds, Hesperidin, Ergosterol, and Rutin showed the excellent binding affinity in micromolar range with SOD1. Ergosterol and Hesperidin have the strongest binding affinity to SOD1 and was subjected to further characterization. Biophysical experiments using Circular Dichroism and Thioflavin T fluorescence spectroscopy results show that the binding of these two compounds can stabilize SOD1 dimer and inhibit the aggregation of SOD1. Molecular simulation results also suggest that these compounds reduce the dissociation of SOD1 dimers through direct interaction with the dimer interface. This study will be helpful to develop other drug-like molecules which may have the effect to reduce the aggregation of SOD1.

Keywords: amyotrophic lateral sclerosis, molecular dynamics simulation, surface plasmon resonance, superoxide dismutase

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Authors: Alessandro Balbo, Gianvito Colucci, Matteo Nicoli, Laura Savoldi

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Hydrogen is expected to become a game changer in the energy transition, especially enabling sector coupling possibilities and the decarbonization of hard-to-abate end-uses. The Italian National Recovery and Resilience Plan identifies hydrogen as one of the key elements of the ecologic transition to meet international decarbonization objectives, also including it in several pilot projects for the early development in Italy. This matches the European energy strategy, which aims to make hydrogen a leading energy carrier of the future, setting ambitious goals to be accomplished by 2030. The huge efforts needed to achieve the announced targets require to carefully investigate of their feasibility in terms of economic expenditures and technical aspects. In order to quantitatively assess the hydrogen potential within the Italian context and the feasibility of the planned investments and projects, this work uses the TEMOA-Italy energy system model to study pathways to meet the strict objectives above cited. The possible hydrogen development has been studied both in the supply-side and demand-side of the energy system, also including storage options and distribution chains. The assessment comprehends alternative hydrogen production technologies involved in a competition market, reflecting the several possible investments declined by the Italian National Recovery and Resilience Plan to boost the development and spread of this infrastructure, including the sector coupling potential with natural gas through the currently existing infrastructure and CO2 capture for the production of synfuels. On the other hand, the hydrogen end-uses phase covers a wide range of consumption alternatives, from fuel-cell vehicles, for which both road and non-road transport categories are considered, to steel, and chemical industries uses and cogeneration for residential and commercial buildings. The model includes both high and low TRL technologies in order to provide a consistent outcome for the future decades as it does for the present day, and since it is developed through the use of an open-source code instance and database, transparency and accessibility are fully granted.

Keywords: decarbonization, energy system optimization models, hydrogen, open-source modeling, TEMOA

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Authors: Vincent Iacobellis, Kamran Behdinan

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A finite element cohesive zone model is used to predict the temperature dependent material properties of a polyimide matrix composite with unidirectional carbon fiber arrangement. The cohesive zone parameters have been obtained from previous research involving an atomistic-to-continuum multiscale simulation of the fiber-matrix interface using the bridging cell multiscale method. The goal of the research was to both investigate the effect of temperature change on the composite behavior with respect to transverse loading as well as the validate the use of cohesive parameters obtained from atomistic-to-continuum multiscale modeling to predict fiber-matrix interfacial cracking. From the multiscale model cohesive zone parameters (i.e. maximum traction and energy of separation) were obtained by modeling the interface between the coarse-grained polyimide matrix and graphite based carbon fiber. The cohesive parameters from this simulation were used in a cohesive zone model of the composite microstructure in order to predict the properties of the macroscale composite with respect to changes in temperature ranging from 21 ˚C to 316 ˚C. Good agreement was found between the microscale RUC model and experimental results for stress-strain response, stiffness, and material strength at low and high temperatures. Examination of the deformation of the composite through localized crack initiation at the fiber-matrix interface also agreed with experimental observations of similar phenomena. Overall, the cohesive zone model was shown to be both effective at modeling the composite properties with respect to transverse loading as well as validated the use of cohesive zone parameters obtained from the multiscale simulation.

Keywords: cohesive zone model, fiber-matrix interface, microscale damage, multiscale modeling

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Authors: N. Matveev, A. Pervov

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Local utilities often face problems of local industrial wastes, storm water disposal due to existing strict regulations. For many local industries, the problem of wastewater treatment and discharge into surface reservoirs can’t be solved through the use of conventional biological treatment techniques. Current discharge standards require very strict removal of a number of impurities such as ammonia, nitrates, phosphate, etc. To reach this level of removal, expensive reagents and sorbents are used. The modern concept of rational water resources management requires the development of new efficient techniques that provide wastewater treatment and reuse. As RO membranes simultaneously reject all dissolved impurities such as BOD, TDS, ammonia, phosphates etc., they become very attractive for the direct treatment of wastewater without biological stage. To treat wastewater, specially designed membrane "open channel" modules are used that do not possess "dead areas" that cause fouling or require pretreatment. A solution to RO concentrate disposal problem is presented that consists of reducing of initial wastewater volume by 100 times. Concentrate is withdrawn from membrane unit as sludge moisture. The efficient use of membrane RO techniques is connected with a salt balance in water system. Thus, to provide high ecological efficiency of developed techniques, all components of water supply and wastewater discharge systems should be accounted for.

Keywords: reverse osmosis, stormwater treatment, open-channel module, wastewater reuse

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Authors: George Mahalu

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The Chua diode has been configured over time in various ways, using electronic structures like operational amplifiers (AOs) or devices with gas or semiconductors. When discussing the use of semiconductor devices, tunnel diodes (Esaki diodes) are most often considered, and more recently, transistorized configurations such as lambda diodes. The paperwork proposed here uses in the modeling a lambda diode type configuration consisting of two junction field effect transistors (JFET). The original scheme is created in the MULTISIM electronic simulation environment and is analyzed in order to identify the conditions for the appearance of evolutionary unpredictability specific to nonlinear dynamic systems with chaos-induced behavior. The chaotic deterministic oscillator is one autonomous type, a fact that places it in the class of Chua’s type oscillators, the only significant and most important difference being the presence of a nonlinear device like the one mentioned structure above. The chaotic behavior is identified both by means of strange attractor-type trajectories and visible during the simulation and by highlighting the hypersensitivity of the system to small variations of one of the input parameters. The results obtained through simulation and the conclusions drawn are useful in the further research of ways to implement such constructive electronic solutions in theoretical and practical applications related to modern small signal amplification structures, to systems for encoding and decoding messages through various modern ways of communication, as well as new structures that can be imagined both in modern neural networks and in those for the physical implementation of some requirements imposed by current research with the aim of obtaining practically usable solutions in quantum computing and quantum computers.

Keywords: chua, diode, memristor, chaos

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Authors: Feng Wang, Vladislav Vasilyev

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Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.

Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene

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Authors: Seif Naoui, Lassaad Latrach, Ali Gharsallah

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This paper is specialized to highlight the method of miniaturization and improvement the patch antenna by using the complementary metamaterial. This method is presented by a simple technique is composed a structure of patch antenna integrated in its surface a cell of complementary split ring resonator. This resonator is placed at the middle of the radiating patch in parallel with the transmission line and with a variable angle of orientation. The objective is to find the ultimate angle where the best results are obtained on improving the characteristics of the considered antenna. This motif widespread at the traceability applications by wireless communication for RFID technology at the operation frequency 2.45 GHz. Our contribution is based on studies empirical often presented in this article. All simulation results were made by the CST Microwave Studio.

Keywords: complimentary split ring resonators, computer simulation technology microwave studio, metamaterials patch antennas, microstrip patch antenna, radio frequency identification

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Authors: Daniel Pastor, Hyo-Sang Shin

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This paper presents a novel method to use optical flow navigation for long-term navigation. Unlike standard SLAM approaches for augmented reality, OFLAAM is designed for Micro Air Vehicles (MAV). It uses an optical flow camera pointing downwards, an IMU and a monocular camera pointing frontwards. That configuration avoids the expensive mapping and tracking of the 3D features. It only maps these features in a vocabulary list by a localization module to tackle the loss of the navigation estimation. That module, based on the well-established algorithm DBoW2, will be also used to close the loop and allow long-term navigation in confined areas. That combination of high-speed optical flow navigation with a low rate localization algorithm allows fully autonomous navigation for MAV, at the same time it reduces the overall computational load. This framework is implemented in ROS (Robot Operating System) and tested attached to a laptop. A representative scenarios is used to analyse the performance of the system.

Keywords: vision, UAV, navigation, SLAM

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Authors: Tom O'Mahony

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This article considers the design of a student-centered learning environment in engineering education. The learning environment integrates a number of components, including project-based learning, collaborative learning, two-stage assignments, active learning lectures, and a flipped-classroom. Together these elements place the individual learner and their learning at the center of the environment by focusing on understanding, enhancing relevance, applying learning, obtaining rich feedback, making choices, and taking responsibility. The evolution of this environment from 2014 to the present day is outlined. The impact of this environment on learners and their learning is evaluated via student questionnaires that consist of both open and closed-ended questions. The closed questions indicate that students found the learning environment to be really interesting and enjoyable (rated as 4.7 on a 5 point scale) and encouraged students to adopt a deep approach towards studying the course materials (rated as 4.0 on a 5 point scale). A content analysis of the open-ended questions provides evidence that the project, active learning lectures, and flipped classroom all contribute to the success of this environment. Furthermore, this analysis indicates that the two-stage assessment process, in which feedback is provided between a draft and final assignment, is the key component and the dominant theme. A limitation of the study is the small class size (less than 20 learners per year), but, to some degree, this is compensated for by the longitudinal nature of the study.

Keywords: deep approaches, formative assessment, project-based learning, student-centered learning

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Authors: I. Made Gatot Karohika, Shigeyuki Haruyama, Ken Kaminishi, Oke Oktavianty, Didik Nurhadiyanto

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Contact width and contact stress are important parameters related to the leakage behavior of corrugated metal gasket. In this study, contact width and contact stress of three-layer corrugated metal gasket are investigated due to the modulus of elasticity and thickness of surface layer for 2 type gasket (0-MPa and 400-MPa mode). A finite element method was employed to develop simulation solution to analysis the effect of each parameter. The result indicated that lowering the modulus of elasticity ratio of surface layer will result in better contact width but the average contact stresses are smaller. When the modulus of elasticity ratio is held constant with thickness ratio increase, its contact width has an increscent trend otherwise the average contact stress has decreased trend.

Keywords: contact width, contact stress, layer, metal gasket, corrugated, simulation

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Authors: Majid Bayatian, Mohammadreza Ashouri

Abstract:

Releasing hazardous chemicals is one of the major problems for office buildings in the chemical industry and, therefore, environmental risks are inherent to these environments. The adverse health effects of the airborne concentration of benzene have been a matter of significant concern, especially in oil refineries. The chronic and acute adverse health effects caused by benzene exposure have attracted wide attention. Acute exposure to benzene through inhalation could cause headaches, dizziness, drowsiness, and irritation of the skin. Chronic exposures have reported causing aplastic anemia and leukemia at the occupational settings. Association between chronic occupational exposure to benzene and the development of aplastic anemia and leukemia were documented by several epidemiological studies. Numerous research works have investigated benzene emissions and determined benzene concentration at different locations of the refinery plant and stated considerable health risks. The high cost of industrial control measures requires justification through lifetime health risk assessment of exposed workers and the public. In the present study, a Computational Fluid Dynamics (CFD) model has been proposed to assess the exposure risk of office building around a refinery due to its release of benzene. For simulation, GAMBIT, FLUENT, and CFD Post software were used as pre-processor, processor, and post-processor, and the model was validated based on comparison with experimental results of benzene concentration and wind speed. Model validation results showed that the model is highly validated, and this model can be used for health risk assessment. The simulation and risk assessment results showed that benzene could be dispersion to an office building nearby, and the exposure risk has been unacceptable. According to the results of this study, a validated CFD model, could be very useful for decision-makers for control measures and possibly support them for emergency planning of probable accidents. Also, this model can be used to assess exposure to various types of accidents as well as other pollutants such as toluene, xylene, and ethylbenzene in different atmospheric conditions.

Keywords: health risk assessment, office building, Benzene, numerical simulation, CFD

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Authors: Aristeidis Samitas, Stathis Polyzos

Abstract:

As the UK and the EU prepare to start negotiations for Brexit, it is important for both sides to comprehend the full extent of the consequences of this process. In this paper, we employ an object oriented simulation framework in order to test for the short-term and long-term effects of Brexit on both sides of the Channel. The relative strength of the UK economy and the banking sector vis-à-vis the EU is taken under consideration. Our results confirm predictions in the relevant literature regarding the output cost of Brexit, with particular emphasis on the EU. Furthermore, we show that financial stability is also an important issue on both sides, with the banking system suffering significant losses, particularly over the longer term. Our findings suggest that policymakers should be extremely careful in handling Brexit negotiations, making sure to consider dynamic effects that may be caused by UK bank assets moving to the EU after Brexit. The model results show that, as the UK banking system loses its assets, the end state of the UK economy is deteriorated while the end state of EU economy is improved.

Keywords: Banking Crises, Brexit, Financial Stability, VBanking

Procedia PDF Downloads 282

Authors: Chan Jong Park, Hye Min Park, Jeong Ho Kim, Ki Hyun Park, Koan Sik Joo

Abstract:

This research used the MCNPX simulation program to evaluate the utility of a filter that was developed to minimize the damage to a semiconductor device during defect testing with X-ray. The X-ray generator was designed using the MCNPX code, and the X-ray absorption spectrum of the semiconductor device was obtained based on the designed X-ray generator code. To evaluate the utility of the filter, the X-ray absorption rates of the semiconductor device were calculated and compared for Ag, Rh, Mo and V filters with thicknesses of 25μm, 50μm, and 75μm. The results showed that the X-ray absorption rate varied with the type and thickness of the filter, ranging from 8.74% to 49.28%. The Rh filter showed the highest X-ray absorption rates of 29.8%, 15.18% and 8.74% for the above-mentioned filter thicknesses. As shown above, the characteristics of the X-ray absorption with respect to the type and thickness of the filter were identified using MCNPX simulation. With these results, both time and expense could be saved in the production of the desired filter. In the future, this filter will be produced, and its performance will be evaluated.

Keywords: X-ray, MCNPX, filter, semiconductor, damage

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Authors: Timothy O. Adekunle, Sigridur Bjarnadottir

Abstract:

Several studies have investigated thermal behavior of buildings with limited studies focusing on high-rise buildings. Of the limited investigations that have considered thermal performance of high-rise buildings, only a few studies have considered thermal behavior of high-rise structural sustainable buildings. As a result, this study investigates the thermal behavior of a high-rise structural timber building. The study aims to understand the thermal environment of a high-rise structural timber block of apartments located in East London, UK by comparing the indoor environmental conditions at different floors (ground and upper floors) of the building. The environmental variables (temperature and relative humidity) were measured at 15-minute intervals for a few weeks in the summer of 2012 to generate data that was considered for calibration and validation of the simulated results. The study employed mainly dynamic thermal building simulation using DesignBuilder by EnergyPlus and supplemented with environmental monitoring as major techniques for data collection and analysis. The weather file (Test Reference Years- TRYs) for the 2000s from the weather generator carried out by the Prometheus Group was considered for the simulation since the study focuses on investigating thermal behavior of high-rise structural timber buildings in the summertime and not in extreme summertime. In this study, the simulated results (May-September of the 2000s) will be the focus of discussion, but the results will be briefly compared with the environmental monitoring results. The simulated results followed a similar trend with the findings obtained from the short period of the environmental monitoring at the building. The results revealed lower temperatures are often predicted (at least 1.1°C lower) at the ground floor than the predicted temperatures at the upper floors. The simulated results also showed that higher temperatures are predicted in spaces at southeast facing (at least 0.5°C higher) than spaces in other orientations across the floors considered. There is, however, a noticeable difference between the thermal environment of spaces when the results obtained from the environmental monitoring are compared with the simulated results. The field survey revealed higher temperatures were recorded in the living areas (at least 1.0°C higher) while higher temperatures are predicted in bedrooms (at least 0.9°C) than living areas for the simulation. In addition, the simulated results showed spaces on lower floors of high-rise structural timber buildings are predicted to provide more comfortable thermal environment than spaces on upper floors in summer, but this may not be the same in wintertime due to high upward movement of hot air to spaces on upper floors.

Keywords: building simulation, high-rise, structural timber buildings, sustainable, temperatures, thermal behavior

Procedia PDF Downloads 181

Authors: A. Alkattib, M. Boumaza

Abstract:

Steam reforming is industrially important as it is incorporated in several major chemical processes including the production of ammonia, methanol, hydrogen and ox alcohols. Due to the strongly endothermic nature of the process, a large amount of heat is supplied by fuel burning (commonly natural gas) in the furnace chamber. Reaction conversions, tube catalyst life, energy consumption and CO2 emission represent the principal factors affecting the performance of this unit and are directly influenced by the high operating temperatures and pressures. This study presents a simulation of the performance of the reforming of methane in a primary reformer, through a developed empirical relation which enables to investigate the effects of operating parameters such as the pressure, temperature, steam to carbon ratio on the production of hydrogen, as well as the fraction of non-converted methane. It appears from this analysis that the exit temperature Te, the operating pressure as well the steam to carbon ratio has an important effect on the reforming of methane.

Keywords: reforming, methane, performance, hydrogen, parameters

Procedia PDF Downloads 228

Authors: Y. S. Lee, F. Malek, E. M. Cheng, W. W. Liu, F. H. Wee, M. N. Iqbal, Z. Liyana, B. S. Yew, F. S. Abdullah

Abstract:

This paper presents the electromagnetic interference (EMI) shielding effectiveness of rice husk and carbon nanotubes (RHCNTs) composites in the X-band region (8.2-12.4 GHz). The difference weight ratio of carbon nanotubes (CNTs) were mix with the rice husk. The rectangular wave guide technique was used to measure the complex permittivity of the RHCNTs composites materials. The complex permittivity is represented in terms of both the real and imaginary parts of permittivity in X-band frequency. The conductivity of RHCNTs shows increasing when the ratio of CNTs mixture increases. The composites materials were simulated using Computer Simulation Technology (CST) Microwave Studio simulation software. The shielding effectiveness of RHCNTs and pure rice husk was compared. The highest EMI SE of 30 dB is obtained for RHCNTs composites of 10 wt % CNTs with 10 mm thick.

Keywords: EMI shielding effectiveness, carbon nanotube, composite materials wave guide, x-band

Procedia PDF Downloads 412

Authors: V. K. Tewari, M. Hussain, H. K. D.Gupta

Abstract:

Aims/Background: The existing Intraoperative-MRI(IMRI) of developed countries is too costly to be utilized in any developing country. We have used the preexisting 3-side open 0.2-tesla MRI for IMRI in India so that the maximum benefit of the goal of IMRI is attained with cost effective state of the art surgeries. Material/Methods: We have operated 36-cases since 13thNov2005 via IMRI to till date. The table of MRI is used as an operating table which can be taken to the P3 level and as and when we require MRI to be done then the table can slide to P1 level so that the intraoperative monitoring can be done. The oxygen/nitrous tubes were taken out from vent made in the wall of the MRI room to outside. The small handy Boyel’s trolley was taken inside the MRI room with a small monitor. Anesthesia is been given in the MRI room itself. Usual skin markings were given with the help of scout MRI fields so the preciseness is increased. Craniotomy flap raised or the laminectomy and the dura opened in the similar fashion by same instruments as for the non IMRI case. Now corticectomy is planned after the T1 contrast image to localize and minimize the cortical resection. Staged and multiple P3 to P1 position and vice versa is planned respectively so that the resection is optimized to around 0.5 mm for radiotherapy. Immediate preclosure hematoma and edemas can be differentiated and cared for it. Results: Same MRI images as compared to highly expensive MRI of western world are achieved. Conclusion: 0.2 tesla Intraoperative MRI can be used for operative work for cranial and spinal cases easily with highly cost effectiveness.

Keywords: intraoperative MRI, 0.2 tesla intraoperative MRI, cost effective intraoperative MRI, medical and health sciences

Procedia PDF Downloads 458