Search results for: wear simulation
687 A Review on Applications of Evolutionary Algorithms to Reservoir Operation for Hydropower Production
Authors: Nkechi Neboh, Josiah Adeyemo, Abimbola Enitan, Oludayo Olugbara
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Evolutionary algorithms are techniques extensively used in the planning and management of water resources and systems. It is useful in finding optimal solutions to water resources problems considering the complexities involved in the analysis. River basin management is an essential area that involves the management of upstream, river inflow and outflow including downstream aspects of a reservoir. Water as a scarce resource is needed by human and the environment for survival and its management involve a lot of complexities. Management of this scarce resource is necessary for proper distribution to competing users in a river basin. This presents a lot of complexities involving many constraints and conflicting objectives. Evolutionary algorithms are very useful in solving this kind of complex problems with ease. Evolutionary algorithms are easy to use, fast and robust with many other advantages. Many applications of evolutionary algorithms, which are population based search algorithm, are discussed. Different methodologies involved in the modeling and simulation of water management problems in river basins are explained. It was found from this work that different evolutionary algorithms are suitable for different problems. Therefore, appropriate algorithms are suggested for different methodologies and applications based on results of previous studies reviewed. It is concluded that evolutionary algorithms, with wide applications in water resources management, are viable and easy algorithms for most of the applications. The results suggested that evolutionary algorithms, applied in the right application areas, can suggest superior solutions for river basin management especially in reservoir operations, irrigation planning and management, stream flow forecasting and real-time applications. The future directions in this work are suggested. This study will assist decision makers and stakeholders on the best evolutionary algorithm to use in varied optimization issues in water resources management.Keywords: evolutionary algorithm, multi-objective, reservoir operation, river basin management
Procedia PDF Downloads 480686 Study of Laminar Convective Heat Transfer, Friction Factor, and Pumping Power Advantage of Aluminum Oxide-Water Nanofluid through a Channel
Authors: M. Insiat Islam Rabby, M. Mahbubur Rahman, Eshanul Islam, A. K. M. Sadrul Islam
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The numerical and simulative analysis of laminar heat exchange convection of aluminum oxide (Al₂O₃) - water nanofluid for the developed region through two parallel plates is presented in this present work. The second order single phase energy equation, mass and momentum equation are solved by using finite volume method with the ANSYS FLUENT 16 software. The distance between two parallel plates is 4 mm and length is 600 mm. Aluminum oxide (Al₂O₃) is used as nanoparticle and water is used as the base/working fluid for the investigation. At the time of simulation 1% to 5% volume concentrations of the Al₂O₃ nanoparticles are used for mixing with water to produce nanofluid and a wide range of interval of Reynolds number from 500 to 1100 at constant heat flux 500 W/m² at the channel wall has also been introduced. The result reveals that for increasing the Reynolds number the Nusselt number and heat transfer coefficient are increased linearly and friction factor decreased linearly in the developed region for both water and Al₂O₃-H₂O nanofluid. By increasing the volume fraction of Al₂O₃-H₂O nanofluid from 1% to 5% the value of Nusselt number increased rapidly from 0.7 to 7.32%, heat transfer coefficient increased 7.14% to 31.5% and friction factor increased very little from 0.1% to 4% for constant Reynolds number compared to pure water. At constant heat transfer coefficient 700 W/m2-K the pumping power advantages have been achieved 20% for 1% volume concentration and 62% for 3% volume concentration of nanofluid compared to pure water.Keywords: convective heat transfer, pumping power, constant heat flux, nanofluid, nanoparticles, volume concentration, thermal conductivity
Procedia PDF Downloads 153685 An Exponential Field Path Planning Method for Mobile Robots Integrated with Visual Perception
Authors: Magdy Roman, Mostafa Shoeib, Mostafa Rostom
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Global vision, whether provided by overhead fixed cameras, on-board aerial vehicle cameras, or satellite images can always provide detailed information on the environment around mobile robots. In this paper, an intelligent vision-based method of path planning and obstacle avoidance for mobile robots is presented. The method integrates visual perception with a new proposed field-based path-planning method to overcome common path-planning problems such as local minima, unreachable destination and unnecessary lengthy paths around obstacles. The method proposes an exponential angle deviation field around each obstacle that affects the orientation of a close robot. As the robot directs toward, the goal point obstacles are classified into right and left groups, and a deviation angle is exponentially added or subtracted to the orientation of the robot. Exponential field parameters are chosen based on Lyapunov stability criterion to guarantee robot convergence to the destination. The proposed method uses obstacles' shape and location, extracted from global vision system, through a collision prediction mechanism to decide whether to activate or deactivate obstacles field. In addition, a search mechanism is developed in case of robot or goal point is trapped among obstacles to find suitable exit or entrance. The proposed algorithm is validated both in simulation and through experiments. The algorithm shows effectiveness in obstacles' avoidance and destination convergence, overcoming common path planning problems found in classical methods.Keywords: path planning, collision avoidance, convergence, computer vision, mobile robots
Procedia PDF Downloads 181684 Theoretical Evaluation of Minimum Superheat, Energy and Exergy in a High-Temperature Heat Pump System Operating with Low GWP Refrigerants
Authors: Adam Y. Sulaiman, Donal F. Cotter, Ming J. Huang, Neil J. Hewitt
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Suitable low global warming potential (GWP) refrigerants that conform to F-gas regulations are required to extend the operational envelope of high-temperature heat pumps (HTHPs) used for industrial waste heat recovery processes. The thermophysical properties and characteristics of these working fluids need to be assessed to provide a comprehensive understanding of operational effectiveness in HTHP applications. This paper presents the results of a theoretical simulation to investigate a range of low-GWP refrigerants and their suitability to supersede refrigerants HFC-245fa and HFC-365mfc. A steady-state thermodynamic model of a single-stage HTHP with an internal heat exchanger (IHX) was developed to assess system cycle characteristics at temperature ranges between 50 to 80 °C heat source and 90 to 150 °C heat sink. A practical approach to maximize the operational efficiency was examined to determine the effects of regulating minimum superheat within the process and subsequent influence on energetic and exergetic efficiencies. A comprehensive map of minimum superheat across the HTHP operating variables were used to assess specific tipping points in performance at 30 and 70 K temperature lifts. Based on initial results, the refrigerants HCFO-1233zd(E) and HFO-1336mzz(Z) were found to be closely aligned matches for refrigerants HFC-245fa and HFC-365mfc. The overall results show effective performance for HCFO-1233zd(E) occurs between 5-7 K minimum superheat, and HFO-1336mzz(Z) between 18-21 K dependant on temperature lift. This work provides a method to optimize refrigerant selection based on operational indicators to maximize overall HTHPs system performance.Keywords: high-temperature heat pump, minimum superheat, energy & exergy efficiency, low GWP refrigerants
Procedia PDF Downloads 158683 J-Integral Method for Assessment of Structural Integrity of a Pressure Vessel
Authors: Karthik K. R, Viswanath V, Asraff A. K
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The first stage of a new-generation launch vehicle of ISRO makes use of large pressure vessels made of Aluminium alloy AA2219 to store fuel and oxidizer. These vessels have many weld joints that may contain cracks or crack-like defects during their fabrication. These defects may propagate across the vessel during pressure testing or while in service under the influence of tensile stresses leading to catastrophe. Though ductile materials exhibit significant stable crack growth prior to failure, it is not generally acceptable for an aerospace component. There is a need to predict the initiation of stable crack growth. The structural integrity of the vessel from fracture considerations can be studied by constructing the Failure Assessment Diagram (FAD) that accounts for both brittle fracture and plastic collapse. Critical crack sizes of the pressure vessel may be highly conservative if it is predicted from FAD alone. If the J-R curve for material under consideration is available apriori, the critical crack sizes can be predicted to a certain degree of accuracy. In this paper, a novel approach is proposed to predict the integrity of a weld in a pressure vessel made of AA2219 material. Fracture parameter ‘J-integral’ at the crack front, evaluated through finite element analyses, is used in the new procedure. Based on the simulation of tension tests carried out on SCT specimens by NASA, a cut-off value of J-integral value (J?ᵤₜ_ₒ??) is finalised. For the pressure vessel, J-integral at the crack front is evaluated through FE simulations incorporating different surface cracks at long seam weld in a cylinder and in dome petal welds. The obtained J-integral, at vessel level, is compared with a value of J?ᵤₜ_ₒ??, and the integrity of vessel weld in the presence of the surface crack is firmed up. The advantage of this methodology is that if SCT test data of any metal is available, the critical crack size in hardware fabricated using that material can be predicted to a better level of accuracy.Keywords: FAD, j-integral, fracture, surface crack
Procedia PDF Downloads 177682 Viscoelastic Properties of Sn-15%Pb Measured in an Oscillation Test
Authors: Gerardo Sanjuan Sanjuan, Ángel Enrique Chavéz Castellanos
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The knowledge of the rheological behavior of partially solidified metal alloy is an important issue when modeling and simulation of die filling in semisolid processes. Many experiments for like steady state, the step change in shear rate tests, shear stress ramps have been carried out leading that semi-solid alloys exhibit shear thinning, thixotropic behavior and yield stress. More advanced investigation gives evidence some viscoelastic features can be observed. The viscoelastic properties of materials are determinate by transient or dynamic methods; unfortunately, sparse information exists about oscillation experiments. The aim of this present work is to use small amplitude oscillatory tests for knowledge properties such as G´ and G´´. These properties allow providing information about materials structure. For this purpose, we investigated tin-lead alloy (Sn-15%Pb) which exhibits a similar microstructure to aluminum alloys and is the classic alloy for semisolid thixotropic studies. The experiments were performed with parallel plates rheometer AR-G2. Initially, the liquid alloy is cooled down to the semisolid range, a specific temperature to guarantee a constant fraction solid. Oscillation was performed within the linear viscoelastic regime with a strain sweep. So, the loss modulus G´´, the storage modulus G´ and the loss angle (δ) was monitored. In addition a frequency sweep at a strain below the critical strain for characterized its structure. This provides more information about the interactions among solid particles on a liquid matrix. After testing, the sample was removed then cooled, sectioned and examined metallographically. These experiments demonstrate that the viscoelasticity is sensitive to the solid fraction, and is strongly influenced by the shape and size of particles solid.Keywords: rheology, semisolid alloys, thixotropic, viscoelasticity
Procedia PDF Downloads 365681 A Compact Via-less Ultra-Wideband Microstrip Filter by Utilizing Open-Circuit Quarter Wavelength Stubs
Authors: Muhammad Yasir Wadood, Fatemeh Babaeian
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By developing ultra-wideband (UWB) systems, there is a high demand for UWB filters with low insertion loss, wide bandwidth, and having a planar structure which is compatible with other components of the UWB system. A microstrip interdigital filter is a great option for designing UWB filters. However, the presence of via holes in this structure creates difficulties in the fabrication procedure of the filter. Especially in the higher frequency band, any misalignment of the drilled via hole with the Microstrip stubs causes large errors in the measurement results compared to the desired results. Moreover, in this case (high-frequency designs), the line width of the stubs are very narrow, so highly precise small via holes are required to be implemented, which increases the cost of fabrication significantly. Also, in this case, there is a risk of having fabrication errors. To combat this issue, in this paper, a via-less UWB microstrip filter is proposed which is designed based on a modification of a conventional inter-digital bandpass filter. The novel approaches in this filter design are 1) replacement of each via hole with a quarter-wavelength open circuit stub to avoid the complexity of manufacturing, 2) using a bend structure to reduce the unwanted coupling effects and 3) minimising the size. Using the proposed structure, a UWB filter operating in the frequency band of 3.9-6.6 GHz (1-dB bandwidth) is designed and fabricated. The promising results of the simulation and measurement are presented in this paper. The selected substrate for these designs was Rogers RO4003 with a thickness of 20 mils. This is a common substrate in most of the industrial projects. The compact size of the proposed filter is highly beneficial for applications which require a very miniature size of hardware.Keywords: band-pass filters, inter-digital filter, microstrip, via-less
Procedia PDF Downloads 145680 Implementation of Research Papers and Industry Related Experiments by Undergraduate Students in the Field of Automation
Authors: Veena N. Hegde, S. R. Desai
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Motivating a heterogeneous group of students towards engagement in research related activities is a challenging task in engineering education. An effort is being made at the Department of Electronics and Instrumentation Engineering, where two courses are taken up on a pilot basis to kindle research interests in students at the undergraduate level. The courses, namely algorithm and system design (ASD) and automation in process control (APC), are selected for experimentation purposes. The task is being accomplished by providing scope for implementation of research papers and proposing solutions for the current industrial problems by the student teams. The course instructors have proposed an alternative assessment tool to evaluate the undergraduate students that involve activities beyond the curriculum. The method was tested for the aforementioned two courses in a particular academic year, and as per the observations, there is a considerable improvement in the number of student engagement towards research in the subsequent years of their undergraduate course. The student groups from the third-year engineering were made to read, implement the research papers, and they were also instructed to develop simulation modules for certain processes aiming towards automation. The target audience being students, were common for both the courses and the students' strength was 30. Around 50% of successful students were given the continued tasks in the subsequent two semesters, and out of 15 students who continued from sixth semesters were able to follow the research methodology well in the seventh and eighth semesters. Further, around 30% of the students out of 15 ended up carrying out project work with a research component involved and were successful in producing four conference papers. The methodology adopted is justified using a sample data set, and the outcomes are highlighted. The quantitative and qualitative results obtained through this study prove that such practices will enhance learning experiences substantially at the undergraduate level.Keywords: industrial problems, learning experiences, research related activities, student engagement
Procedia PDF Downloads 160679 Predicting Match Outcomes in Team Sport via Machine Learning: Evidence from National Basketball Association
Authors: Jacky Liu
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This paper develops a team sports outcome prediction system with potential for wide-ranging applications across various disciplines. Despite significant advancements in predictive analytics, existing studies in sports outcome predictions possess considerable limitations, including insufficient feature engineering and underutilization of advanced machine learning techniques, among others. To address these issues, we extend the Sports Cross Industry Standard Process for Data Mining (SRP-CRISP-DM) framework and propose a unique, comprehensive predictive system, using National Basketball Association (NBA) data as an example to test this extended framework. Our approach follows a holistic methodology in feature engineering, employing both Time Series and Non-Time Series Data, as well as conducting Explanatory Data Analysis and Feature Selection. Furthermore, we contribute to the discourse on target variable choice in team sports outcome prediction, asserting that point spread prediction yields higher profits as opposed to game-winner predictions. Using machine learning algorithms, particularly XGBoost, results in a significant improvement in predictive accuracy of team sports outcomes. Applied to point spread betting strategies, it offers an astounding annual return of approximately 900% on an initial investment of $100. Our findings not only contribute to academic literature, but have critical practical implications for sports betting. Our study advances the understanding of team sports outcome prediction a burgeoning are in complex system predictions and pave the way for potential profitability and more informed decision making in sports betting markets.Keywords: machine learning, team sports, game outcome prediction, sports betting, profits simulation
Procedia PDF Downloads 87678 Computational Fluid Dynamics Model of Various Types of Rocket Engine Nozzles
Authors: Konrad Pietrykowski, Michal Bialy, Pawel Karpinski, Radoslaw Maczka
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The nozzle is an element of the rocket engine in which the conversion of the potential energy of gases generated during combustion into the kinetic energy of the gas stream takes place. The design parameters of the nozzle have a decisive influence on the ballistic characteristics of the engine. Designing a nozzle assembly is, therefore, one of the most responsible stages in developing a rocket engine design. The paper presents the results of the simulation of three types of rocket propulsion nozzles. Calculations were made using CFD (Computational Fluid Dynamics) in ANSYS Fluent software. The next types of nozzles differ in shape. The analysis was made of a conical nozzle, a bell type nozzle with a conical supersonic part and a bell type nozzle. Calculation results are presented in the form of pressure, velocity and kinetic energy distributions of turbulence in the longitudinal section. The courses of these values along the nozzles are also presented. The results show that the cone nozzle generates strong turbulence in the critical section. Which negatively affect the flow of the working medium. In the case of a bell nozzle, the transformation of the wall caused the elimination of flow disturbances in the critical section. This reduces the probability of waves forming before or after the trailing edge. The most sophisticated construction is the bell type nozzle. It allows you to maximize performance without adding extra weight. The bell type nozzle can be used as a starter and auxiliary engine nozzle due to its advantages. The project/research was financed in the framework of the project Lublin University of Technology-Regional Excellence Initiative, funded by the Polish Ministry of Science and Higher Education (contract no. 030/RID/2018/19).Keywords: computational fluid dynamics, nozzle, rocket engine, supersonic flow
Procedia PDF Downloads 148677 Analysis of Compressive and Tensile Response of Pumpkin Flesh, Peel and Unpeeled Tissues Using Experimental and FEA
Authors: Maryam Shirmohammadi, Prasad K. D. V. Yarlagadda, YuanTong Gu
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The mechanical damage on the agricultural crop during and after harvesting can create high volume of damage on tissue. Uniaxial compression and tensile loading were performed on flesh and peel samples of pumpkin. To investigate the structural changes on the tissue, Scanning Electron Microscopy (SEM) was used to capture the cellular structure change before and after loading on tissue for tensile, compression and indentation tests. To obtain required mechanical properties of tissue for the finite element analysis (FEA) model, laser measurement sensors were used to record the lateral displacement of tissue under the compression loading. Uniaxial force versus deformation data were recorded using Universal Testing Machine for both tensile and compression tests. The experimental Results were employed to develop a material model with failure criteria. The results obtained by the simulation were compared with those obtained by experiments. Note that although modelling food materials’ behaviour is not a new concept however, majority of previous studies focused on elastic behaviour and damages under linear limit, this study, however, has developed FEA models for tensile and compressive loading of pumpkin flesh and peel samples using, as the first study, both elastic and elasto-plastic material types. In addition, pumpkin peel and flesh tissues were considered as two different materials with different properties under mechanical loadings. The tensile and compression loadings were used to develop the material model for a composite structure for FEA model of mechanical peeling of pumpkin as a tough skinned vegetable.Keywords: compressive and tensile response, finite element analysis, poisson’s ratio, elastic modulus, elastic and plastic response, rupture and bio-yielding
Procedia PDF Downloads 325676 Analysis of Aerodynamic Forces Acting on a Train Passing Through a Tornado
Authors: Masahiro Suzuki, Nobuyuki Okura
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The crosswind effect on ground transportations has been extensively investigated for decades. The effect of tornado, however, has been hardly studied in spite of the fact that even heavy ground vehicles, namely, trains were overturned by tornadoes with casualties in the past. Therefore, aerodynamic effects of the tornado on the train were studied by several approaches in this study. First, an experimental facility was developed to clarify aerodynamic forces acting on a vehicle running through a tornado. Our experimental set-up consists of two apparatus. One is a tornado simulator, and the other is a moving model rig. PIV measurements showed that the tornado simulator can generate a swirling-flow field similar to those of the natural tornadoes. The flow field has the maximum tangential velocity of 7.4 m/s and the vortex core radius of 96 mm. The moving model rig makes a 1/40 scale model train of single-car/three-car unit run thorough the swirling flow with the maximum speed of 4.3 m/s. The model car has 72 pressure ports on its surface to estimate the aerodynamic forces. The experimental results show that the aerodynamic forces vary its magnitude and direction depends on the location of the vehicle in the flow field. Second, the aerodynamic forces on the train were estimated by using Rankin vortex model. The Rankin vortex model is a simple tornado model which widely used in the field of civil engineering. The estimated aerodynamic forces on the middle car were fairly good agreement with the experimental results. Effects of the vortex core radius and the path of the train on the aerodynamic forces were investigated using the Rankin vortex model. The results shows that the side and lift forces increases as the vortex core radius increases, while the yawing moment is maximum when the core radius is 0.3875 times of the car length. Third, a computational simulation was conducted to clarify the flow field around the train. The simulated results qualitatively agreed with the experimental ones.Keywords: aerodynamic force, experimental method, tornado, train
Procedia PDF Downloads 229675 Design of a Surveillance Drone with Computer Aided Durability
Authors: Maram Shahad Dana Anfal
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This research paper presents the design of a surveillance drone with computer-aided durability and model analyses that provides a cost-effective and efficient solution for various applications. The quadcopter's design is based on a lightweight and strong structure made of materials such as aluminum and titanium, which provide a durable structure for the quadcopter. The structure of this product and the computer-aided durability system are both designed to ensure frequent repairs or replacements, which will save time and money in the long run. Moreover, the study discusses the drone's ability to track, investigate, and deliver objects more quickly than traditional methods, makes it a highly efficient and cost-effective technology. In this paper, a comprehensive analysis of the quadcopter's operation dynamics and limitations is presented. In both simulation and experimental data, the computer-aided durability system and the drone's design demonstrate their effectiveness, highlighting the potential for a variety of applications, such as search and rescue missions, infrastructure monitoring, and agricultural operations. Also, the findings provide insights into possible areas for improvement in the design and operation of the drone. Ultimately, this paper presents a reliable and cost-effective solution for surveillance applications by designing a drone with computer-aided durability and modeling. With its potential to save time and money, increase reliability, and enhance safety, it is a promising technology for the future of surveillance drones. operation dynamic equations have been evaluated successfully for different flight conditions of a quadcopter. Also, CAE modeling techniques have been applied for the modal risk assessment at operating conditions.Stress analysis have been performed under the loadings of the worst-case combined motion flight conditions.Keywords: drone, material, solidwork, hypermesh
Procedia PDF Downloads 125674 Maximization of Lifetime for Wireless Sensor Networks Based on Energy Efficient Clustering Algorithm
Authors: Frodouard Minani
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Since last decade, wireless sensor networks (WSNs) have been used in many areas like health care, agriculture, defense, military, disaster hit areas and so on. Wireless Sensor Networks consist of a Base Station (BS) and more number of wireless sensors in order to monitor temperature, pressure, motion in different environment conditions. The key parameter that plays a major role in designing a protocol for Wireless Sensor Networks is energy efficiency which is a scarcest resource of sensor nodes and it determines the lifetime of sensor nodes. Maximizing sensor node’s lifetime is an important issue in the design of applications and protocols for Wireless Sensor Networks. Clustering sensor nodes mechanism is an effective topology control approach for helping to achieve the goal of this research. In this paper, the researcher presents an energy efficiency protocol to prolong the network lifetime based on Energy efficient clustering algorithm. The Low Energy Adaptive Clustering Hierarchy (LEACH) is a routing protocol for clusters which is used to lower the energy consumption and also to improve the lifetime of the Wireless Sensor Networks. Maximizing energy dissipation and network lifetime are important matters in the design of applications and protocols for wireless sensor networks. Proposed system is to maximize the lifetime of the Wireless Sensor Networks by choosing the farthest cluster head (CH) instead of the closest CH and forming the cluster by considering the following parameter metrics such as Node’s density, residual-energy and distance between clusters (inter-cluster distance). In this paper, comparisons between the proposed protocol and comparative protocols in different scenarios have been done and the simulation results showed that the proposed protocol performs well over other comparative protocols in various scenarios.Keywords: base station, clustering algorithm, energy efficient, sensors, wireless sensor networks
Procedia PDF Downloads 135673 Experimental Simulations of Aerosol Effect to Landfalling Tropical Cyclones over Philippine Coast: Virtual Seeding Using WRF Model
Authors: Bhenjamin Jordan L. Ona
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Weather modification is an act of altering weather systems that catches interest on scientific studies. Cloud seeding is a common form of weather alteration. On the same principle, tropical cyclone mitigation experiment follows the methods of cloud seeding with intensity to account for. This study will present the effects of aerosol to tropical cyclone cloud microphysics and intensity. The framework of Weather Research and Forecasting (WRF) model incorporated with Thompson aerosol-aware scheme is the prime host to support the aerosol-cloud microphysics calculations of cloud condensation nuclei (CCN) ingested into the tropical cyclones before making landfall over the Philippine coast. The coupled microphysical and radiative effects of aerosols will be analyzed using numerical data conditions of Tropical Storm Ketsana (2009), Tropical Storm Washi (2011), and Typhoon Haiyan (2013) associated with varying CCN number concentrations per simulation per typhoon: clean maritime, polluted, and very polluted having 300 cm-3, 1000 cm-3, and 2000 cm-3 aerosol number initial concentrations, respectively. Aerosol species like sulphates, sea salts, black carbon, and organic carbon will be used as cloud nuclei and mineral dust as ice nuclei (IN). To make the study as realistic as possible, investigation during the biomass burning due to forest fire in Indonesia starting October 2015 as Typhoons Mujigae/Kabayan and Koppu/Lando had been seeded with aerosol emissions mainly comprises with black carbon and organic carbon, will be considered. Emission data that will be used is from NASA's Moderate Resolution Imaging Spectroradiometer (MODIS). The physical mechanism/s of intensification or deintensification of tropical cyclones will be determined after the seeding experiment analyses.Keywords: aerosol, CCN, IN, tropical cylone
Procedia PDF Downloads 288672 Action Potential of Lateral Geniculate Neurons at Low Threshold Currents: Simulation Study
Authors: Faris Tarlochan, Siva Mahesh Tangutooru
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Lateral Geniculate Nucleus (LGN) is the relay center in the visual pathway as it receives most of the input information from retinal ganglion cells (RGC) and sends to visual cortex. Low threshold calcium currents (IT) at the membrane are the unique indicator to characterize this firing functionality of the LGN neurons gained by the RGC input. According to the LGN functional requirements such as functional mapping of RGC to LGN, the morphologies of the LGN neurons were developed. During the neurological disorders like glaucoma, the mapping between RGC and LGN is disconnected and hence stimulating LGN electrically using deep brain electrodes can restore the functionalities of LGN. A computational model was developed for simulating the LGN neurons with three predominant morphologies, each representing different functional mapping of RGC to LGN. The firings of action potentials at LGN neuron due to IT were characterized by varying the stimulation parameters, morphological parameters and orientation. A wide range of stimulation parameters (stimulus amplitude, duration and frequency) represents the various strengths of the electrical stimulation with different morphological parameters (soma size, dendrites size and structure). The orientation (0-1800) of LGN neuron with respect to the stimulating electrode represents the angle at which the extracellular deep brain stimulation towards LGN neuron is performed. A reduced dendrite structure was used in the model using Bush–Sejnowski algorithm to decrease the computational time while conserving its input resistance and total surface area. The major finding is that an input potential of 0.4 V is required to produce the action potential in the LGN neuron which is placed at 100 µm distance from the electrode. From this study, it can be concluded that the neuroprostheses under design would need to consider the capability of inducing at least 0.4V to produce action potentials in LGN.Keywords: Lateral Geniculate Nucleus, visual cortex, finite element, glaucoma, neuroprostheses
Procedia PDF Downloads 265671 In silico Analysis towards Identification of Host-Microbe Interactions for Inflammatory Bowel Disease Linked to Reactive Arthritis
Authors: Anukriti Verma, Bhawna Rathi, Shivani Sharda
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Reactive Arthritis (ReA) is a disorder that causes inflammation in joints due to certain infections at distant sites in the body. ReA begins with stiffness, pain, and inflammation in these areas especially the ankles, knees, and hips. It gradually causes several complications such as conjunctivitis in the eyes, skin lesions in hand, feet and nails and ulcers in the mouth. Nowadays the diagnosis of ReA is based upon a differential diagnosis pattern. The parameters for differentiating ReA from other similar disorders include physical examination, history of the patient and a high index of suspicion. There are no standard lab tests or markers available for ReA hence the early diagnosis of ReA becomes difficult and the chronicity of disease increases with time. It is reported that enteric disorders such as Inflammatory Bowel Disease (IBD) that is inflammation in gastrointestinal tract namely Crohn’s Disease (CD) and Ulcerative Colitis (UC) are reported to be linked with ReA. Several microorganisms are found such as Campylobacter, Salmonella, Shigella and Yersinia causing IBD leading to ReA. The aim of our study was to perform the in-silico analysis in order to find interactions between microorganisms and human host causing IBD leading to ReA. A systems biology approach for metabolic network reconstruction and simulation was used to find the essential genes of the reported microorganisms. Interactomics study was used to find the interactions between the pathogen genes and human host. Genes such as nhaA (pathogen), dpyD (human), nagK (human) and kynU (human) were obtained that were analysed further using the functional, pathway and network analysis. These genes can be used as putative drug targets and biomarkers in future for early diagnosis, prevention, and treatment of IBD leading to ReA.Keywords: drug targets, inflammatory bowel disease, reactive arthritis, systems biology
Procedia PDF Downloads 269670 Adapting Tools for Text Monitoring and for Scenario Analysis Related to the Field of Social Disasters
Authors: Svetlana Cojocaru, Mircea Petic, Inga Titchiev
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Humanity faces more and more often with different social disasters, which in turn can generate new accidents and catastrophes. To mitigate their consequences, it is important to obtain early possible signals about the events which are or can occur and to prepare the corresponding scenarios that could be applied. Our research is focused on solving two problems in this domain: identifying signals related that an accident occurred or may occur and mitigation of some consequences of disasters. To solve the first problem, methods of selecting and processing texts from global network Internet are developed. Information in Romanian is of special interest for us. In order to obtain the mentioned tools, we should follow several steps, divided into preparatory stage and processing stage. Throughout the first stage, we manually collected over 724 news articles and classified them into 10 categories of social disasters. It constitutes more than 150 thousand words. Using this information, a controlled vocabulary of more than 300 keywords was elaborated, that will help in the process of classification and identification of the texts related to the field of social disasters. To solve the second problem, the formalism of Petri net has been used. We deal with the problem of inhabitants’ evacuation in useful time. The analysis methods such as reachability or coverability tree and invariants technique to determine dynamic properties of the modeled systems will be used. To perform a case study of properties of extended evacuation system by adding time, the analysis modules of PIPE such as Generalized Stochastic Petri Nets (GSPN) Analysis, Simulation, State Space Analysis, and Invariant Analysis have been used. These modules helped us to obtain the average number of persons situated in the rooms and the other quantitative properties and characteristics related to its dynamics.Keywords: lexicon of disasters, modelling, Petri nets, text annotation, social disasters
Procedia PDF Downloads 193669 Design, Development and Analysis of Combined Darrieus and Savonius Wind Turbine
Authors: Ashish Bhattarai, Bishnu Bhatta, Hem Raj Joshi, Nabin Neupane, Pankaj Yadav
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This report concerns the design, development, and analysis of the combined Darrieus and Savonius wind turbine. Vertical Axis Wind Turbines (VAWT's) are of two type's viz. Darrieus (lift type) and Savonius (drag type). The problem associated with Darrieus is the lack of self-starting while Savonius has low efficiency. There are 3 straight Darrieus blades having the cross-section of NACA(National Advisory Committee of Aeronautics) 0018 placed circumferentially and a helically twisted Savonius blade to get even torque distribution. This unique design allows the use of Savonius as a method of self-starting the wind turbine, which the Darrieus cannot achieve on its own. All the parts of the wind turbine are designed in CAD software, and simulation data were obtained via CFD(Computational Fluid Dynamics) approach. Also, the design was imported to FlashForge Finder to 3D print the wind turbine profile and finally, testing was carried out. The plastic material used for Savonius was ABS(Acrylonitrile Butadiene Styrene) and that for Darrieus was PLA(Polylactic Acid). From the data obtained experimentally, the hybrid VAWT so fabricated has been found to operate at the low cut-in speed of 3 m/s and maximum power output has been found to be 7.5537 watts at the wind speed of 6 m/s. The maximum rpm of the rotor blade is recorded to be 431 rpm(rotation per minute) at the wind velocity of 6 m/s, signifying its potentiality of wind power production. Besides, the data so obtained from both the process when analyzed through graph plots has shown the similar nature slope wise. Also, the difference between the experimental and theoretical data obtained has shown mechanical losses. The objective is to eliminate the need for external motors for self-starting purposes and study the performance of the model. The testing of the model was carried out for different wind velocities.Keywords: VAWT, Darrieus, Savonius, helical blades, CFD, flash forge finder, ABS, PLA
Procedia PDF Downloads 193668 A Study on Factors Affecting (Building Information Modelling) BIM Implementation in European Renovation Projects
Authors: Fatemeh Daneshvartarigh
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New technologies and applications have radically altered construction techniques in recent years. In order to anticipate how the building will act, perform, and appear, these technologies encompass a wide range of visualization, simulation, and analytic tools. These new technologies and applications have a considerable impact on completing construction projects in today's (architecture, engineering and construction)AEC industries. The rate of changes in BIM-related topics is different worldwide, and it depends on many factors, e.g., the national policies of each country. Therefore, there is a need for comprehensive research focused on a specific area with common characteristics. Therefore, one of the necessary measures to increase the use of this new approach is to examine the challenges and obstacles facing it. In this research, based on the Delphi method, at first, the background and related literature are reviewed. Then, using the knowledge obtained from the literature, a primary questionnaire is generated and filled by experts who are selected using snowball sampling. It covered the experts' attitudes towards implementing BIM in renovation projects and their view of the benefits and obstacles in this regard. By analyzing the primary questionnaire, the second group of experts is selected among the participants to be interviewed. The results are analyzed using Theme analysis. Six themes, including Management support, staff resistance, client willingness, Cost of software and implementation, the difficulty of implementation, and other reasons, are obtained. Then a final questionnaire is generated from the themes and filled by the same group of experts. The result is analyzed by the Fuzzy Delphi method, showing the exact ranking of the obtained themes. The final results show that management support, staff resistance, and client willingness are the most critical barrier to BIM usage in renovation projects.Keywords: building information modeling, BIM, BIM implementation, BIM barriers, BIM in renovation
Procedia PDF Downloads 153667 Experimental and Modal Determination of the State-Space Model Parameters of a Uni-Axial Shaker System for Virtual Vibration Testing
Authors: Jonathan Martino, Kristof Harri
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In some cases, the increase in computing resources makes simulation methods more affordable. The increase in processing speed also allows real time analysis or even more rapid tests analysis offering a real tool for test prediction and design process optimization. Vibration tests are no exception to this trend. The so called ‘Virtual Vibration Testing’ offers solution among others to study the influence of specific loads, to better anticipate the boundary conditions between the exciter and the structure under test, to study the influence of small changes in the structure under test, etc. This article will first present a virtual vibration test modeling with a main focus on the shaker model and will afterwards present the experimental parameters determination. The classical way of modeling a shaker is to consider the shaker as a simple mechanical structure augmented by an electrical circuit that makes the shaker move. The shaker is modeled as a two or three degrees of freedom lumped parameters model while the electrical circuit takes the coil impedance and the dynamic back-electromagnetic force into account. The establishment of the equations of this model, describing the dynamics of the shaker, is presented in this article and is strongly related to the internal physical quantities of the shaker. Those quantities will be reduced into global parameters which will be estimated through experiments. Different experiments will be carried out in order to design an easy and practical method for the identification of the shaker parameters leading to a fully functional shaker model. An experimental modal analysis will also be carried out to extract the modal parameters of the shaker and to combine them with the electrical measurements. Finally, this article will conclude with an experimental validation of the model.Keywords: lumped parameters model, shaker modeling, shaker parameters, state-space, virtual vibration
Procedia PDF Downloads 262666 Damage Mesomodel Based Low-Velocity Impact Damage Analysis of Laminated Composite Structures
Authors: Semayat Fanta, P.M. Mohite, C.S. Upadhyay
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Damage meso-model for laminates is one of the most widely applicable approaches for the analysis of damage induced in laminated fiber-reinforced polymeric composites. Damage meso-model for laminates has been developed over the last three decades by many researchers in experimental, theoretical, and analytical methods that have been carried out in micromechanics as well as meso-mechanics analysis approaches. It has been fundamentally developed based on the micromechanical description that aims to predict the damage initiation and evolution until the failure of structure in various loading conditions. The current damage meso-model for laminates aimed to act as a bridge between micromechanics and macro-mechanics of the laminated composite structure. This model considers two meso-constituents for the analysis of damage in ply and interface that imparted from low-velocity impact. The damages considered in this study include fiber breakage, matrix cracking, and diffused damage of the lamina, and delamination of the interface. The damage initiation and evolution in laminae can be modeled in terms of damaged strain energy density using damage parameters and the thermodynamic irreversible forces. Interface damage can be modeled with a new concept of spherical micro-void in the resin-rich zone of interface material. The damage evolution is controlled by the damage parameter (d) and the radius of micro-void (r) from the point of damage nucleation to its saturation. The constitutive martial model for meso-constituents is defined in a user material subroutine VUMAT and implemented in ABAQUS/Explicit finite element modeling tool. The model predicts the damages in the meso-constituents level very accurately and is considered the most effective technique of modeling low-velocity impact simulation for laminated composite structures.Keywords: mesomodel, laminate, low-energy impact, micromechanics
Procedia PDF Downloads 213665 Modified Weibull Approach for Bridge Deterioration Modelling
Authors: Niroshan K. Walgama Wellalage, Tieling Zhang, Richard Dwight
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State-based Markov deterioration models (SMDM) sometimes fail to find accurate transition probability matrix (TPM) values, and hence lead to invalid future condition prediction or incorrect average deterioration rates mainly due to drawbacks of existing nonlinear optimization-based algorithms and/or subjective function types used for regression analysis. Furthermore, a set of separate functions for each condition state with age cannot be directly derived by using Markov model for a given bridge element group, which however is of interest to industrial partners. This paper presents a new approach for generating Homogeneous SMDM model output, namely, the Modified Weibull approach, which consists of a set of appropriate functions to describe the percentage condition prediction of bridge elements in each state. These functions are combined with Bayesian approach and Metropolis Hasting Algorithm (MHA) based Markov Chain Monte Carlo (MCMC) simulation technique for quantifying the uncertainty in model parameter estimates. In this study, factors contributing to rail bridge deterioration were identified. The inspection data for 1,000 Australian railway bridges over 15 years were reviewed and filtered accordingly based on the real operational experience. Network level deterioration model for a typical bridge element group was developed using the proposed Modified Weibull approach. The condition state predictions obtained from this method were validated using statistical hypothesis tests with a test data set. Results show that the proposed model is able to not only predict the conditions in network-level accurately but also capture the model uncertainties with given confidence interval.Keywords: bridge deterioration modelling, modified weibull approach, MCMC, metropolis-hasting algorithm, bayesian approach, Markov deterioration models
Procedia PDF Downloads 720664 Cybersecurity for Digital Twins in the Built Environment: Research Landscape, Industry Attitudes and Future Direction
Authors: Kaznah Alshammari, Thomas Beach, Yacine Rezgui
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Technological advances in the construction sector are helping to make smart cities a reality by means of cyber-physical systems (CPS). CPS integrate information and the physical world through the use of information communication technologies (ICT). An increasingly common goal in the built environment is to integrate building information models (BIM) with the Internet of Things (IoT) and sensor technologies using CPS. Future advances could see the adoption of digital twins, creating new opportunities for CPS using monitoring, simulation, and optimisation technologies. However, researchers often fail to fully consider the security implications. To date, it is not widely possible to assimilate BIM data and cybersecurity concepts, and, therefore, security has thus far been overlooked. This paper reviews the empirical literature concerning IoT applications in the built environment and discusses real-world applications of the IoT intended to enhance construction practices, people’s lives and bolster cybersecurity. Specifically, this research addresses two research questions: (a) how suitable are the current IoT and CPS security stacks to address the cybersecurity threats facing digital twins in the context of smart buildings and districts? and (b) what are the current obstacles to tackling cybersecurity threats to the built environment CPS? To answer these questions, this paper reviews the current state-of-the-art research concerning digital twins in the built environment, the IoT, BIM, urban cities, and cybersecurity. The results of these findings of this study confirmed the importance of using digital twins in both IoT and BIM. Also, eight reference zones across Europe have gained special recognition for their contributions to the advancement of IoT science. Therefore, this paper evaluates the use of digital twins in CPS to arrive at recommendations for expanding BIM specifications to facilitate IoT compliance, bolster cybersecurity and integrate digital twin and city standards in the smart cities of the future.Keywords: BIM, cybersecurity, digital twins, IoT, urban cities
Procedia PDF Downloads 154663 Dynamic Thin Film Morphology near the Contact Line of a Condensing Droplet: Nanoscale Resolution
Authors: Abbasali Abouei Mehrizi, Hao Wang
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The thin film region is so important in heat transfer process due to its low thermal resistance. On the other hand, the dynamic contact angle is crucial boundary condition in numerical simulations. While different modeling contains different assumption of the microscopic contact angle, none of them has experimental evidence for their assumption, and the contact line movement mechanism still remains vague. The experimental investigation in complete wetting is more popular than partial wetting, especially in nanoscale resolution when there is sharp variation in thin film profile in partial wetting. In the present study, an experimental investigation of water film morphology near the triple phase contact line during the condensation is performed. The state-of-the-art tapping-mode atomic force microscopy (TM-AFM) was used to get the high-resolution film profile goes down to 2 nm from the contact line. The droplet was put in saturated chamber. The pristine silicon wafer was used as a smooth substrate. The substrate was heated by PI film heater. So the chamber would be over saturated by droplet evaporation. By turning off the heater, water vapor gradually started condensing on the droplet and the droplet advanced. The advancing speed was less than 20 nm/s. The dominant results indicate that in contrast to nonvolatile liquid, the film profile goes down straightly to the surface till 2 nm from the substrate. However, small bending has been observed below 20 nm, occasionally. So, it can be claimed that for the low condensation rate the microscopic contact angle equals to the optically detectable macroscopic contact angle. This result can be used to simplify the heat transfer modeling in partial wetting. The experimental result of the equality of microscopic and macroscopic contact angle can be used as a solid evidence for using this boundary condition in numerical simulation.Keywords: advancing, condensation, microscopic contact angle, partial wetting
Procedia PDF Downloads 288662 Design of a Standard Weather Data Acquisition Device for the Federal University of Technology, Akure Nigeria
Authors: Isaac Kayode Ogunlade
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Data acquisition (DAQ) is the process by which physical phenomena from the real world are transformed into an electrical signal(s) that are measured and converted into a digital format for processing, analysis, and storage by a computer. The DAQ is designed using PIC18F4550 microcontroller, communicating with Personal Computer (PC) through USB (Universal Serial Bus). The research deployed initial knowledge of data acquisition system and embedded system to develop a weather data acquisition device using LM35 sensor to measure weather parameters and the use of Artificial Intelligence(Artificial Neural Network - ANN)and statistical approach(Autoregressive Integrated Moving Average – ARIMA) to predict precipitation (rainfall). The device is placed by a standard device in the Department of Meteorology, Federal University of Technology, Akure (FUTA) to know the performance evaluation of the device. Both devices (standard and designed) were subjected to 180 days with the same atmospheric condition for data mining (temperature, relative humidity, and pressure). The acquired data is trained in MATLAB R2012b environment using ANN, and ARIMAto predict precipitation (rainfall). Root Mean Square Error (RMSE), Mean Absolute Error (MAE), Correction Square (R2), and Mean Percentage Error (MPE) was deplored as standardize evaluation to know the performance of the models in the prediction of precipitation. The results from the working of the developed device show that the device has an efficiency of 96% and is also compatible with Personal Computer (PC) and laptops. The simulation result for acquired data shows that ANN models precipitation (rainfall) prediction for two months (May and June 2017) revealed a disparity error of 1.59%; while ARIMA is 2.63%, respectively. The device will be useful in research, practical laboratories, and industrial environments.Keywords: data acquisition system, design device, weather development, predict precipitation and (FUTA) standard device
Procedia PDF Downloads 83661 A Structure-Based Approach for Adaptable Building System
Authors: Alireza Taghdiri, Sara Ghanbarzade Ghomi
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Existing buildings are permanently subjected to change, continuously renovated and repaired in their long service life. Old buildings are destroyed and their material and components are recycled or reused for constructing new ones. In this process, importance of sustainability principles for building construction is obviously known and great significance must be attached to consumption of resources, resulting effects on the environment and economic costs. Utilization strategies for extending buildings service life and delay in destroying have positive effect on environment protection. In addition, simpler alterability or expandability of buildings’ structures and reducing energy and natural resources consumption have benefits for users, producers and environment. To solve these problems, by applying theories of open building, structural components of some conventional building systems have been analyzed and then, a new geometry adaptive building system is developed which can transform and support different imposed loads. In order to achieve this goal, various research methods and tools such as professional and scientific literatures review, comparative analysis, case study and computer simulation were applied and data interpretation was implemented using descriptive statistics and logical arguments. Therefore, hypothesis and proposed strategies were evaluated and an adaptable and reusable 2-dimensional building system was presented which can respond appropriately to dwellers and end-users needs and provide reusability of structural components of building system in new construction or function. Investigations showed that this incremental building system can be successfully applied in achieving the architectural design objectives and by small modifications on components and joints, it is easy to obtain different and adaptable load-optimized component alternatives for flexible spaces.Keywords: adaptability, durability, open building, service life, structural building system
Procedia PDF Downloads 568660 The Diverse and Flexible Coping Strategies Simulation for Maanshan Nuclear Power Plant
Authors: Chin-Hsien Yeh, Shao-Wen Chen, Wen-Shu Huang, Chun-Fu Huang, Jong-Rong Wang, Jung-Hua Yang, Yuh-Ming Ferng, Chunkuan Shih
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In this research, a Fukushima-like conditions is simulated with TRACE and RELAP5. Fukushima Daiichi Nuclear Power Plant (NPP) occurred the disaster which caused by the earthquake and tsunami. This disaster caused extended loss of all AC power (ELAP). Hence, loss of ultimate heat sink (LUHS) happened finally. In order to handle Fukushima-like conditions, Taiwan Atomic Energy Council (AEC) commanded that Taiwan Power Company should propose strategies to ensure the nuclear power plant safety. One of the diverse and flexible coping strategies (FLEX) is a different water injection strategy. It can execute core injection at 20 Kg/cm2 without depressurization. In this study, TRACE and RELAP5 were used to simulate Maanshan nuclear power plant, which is a three loops PWR in Taiwan, under Fukushima-like conditions and make sure the success criteria of FLEX. Reducing core cooling ability is due to failure of emergency core cooling system (ECCS) in extended loss of all AC power situation. The core water level continues to decline because of the seal leakage, and then FLEX is used to save the core water level and make fuel rods covered by water. The result shows that this mitigation strategy can cool the reactor pressure vessel (RPV) as soon as possible under Fukushima-like conditions, and keep the core water level higher than Top of Active Fuel (TAF). The FLEX can ensure the peak cladding temperature (PCT) below than the criteria 1088.7 K. Finally, the FLEX can provide protection for nuclear power plant and make plant safety.Keywords: TRACE, RELAP5/MOD3.3, ELAP, FLEX
Procedia PDF Downloads 242659 Modeling and Simulation of Turbulence Induced in Nozzle Cavitation and Its Effects on Internal Flow in a High Torque Low Speed Diesel Engine
Authors: Ali Javaid, Rizwan Latif, Syed Adnan Qasim, Imran Shafi
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To control combustion inside a direct injection diesel engine, fuel atomization is the best tool. Controlling combustion helps in reducing emissions and improves efficiency. Cavitation is one of the most important factors that significantly affect the nature of spray before it injects into combustion chamber. Typical fuel injector nozzles are small and operate at a very high pressure, which limits the study of internal nozzle behavior especially in case of diesel engine. Simulating cavitation in a fuel injector will help in understanding the phenomenon and will assist in further development. There is a parametric variation between high speed and high torque low speed diesel engines. The objective of this study is to simulate internal spray characteristics for a low speed high torque diesel engine. In-nozzle cavitation has strong effects on the parameters e.g. mass flow rate, fuel velocity, and momentum flux of fuel that is to be injected into the combustion chamber. The external spray dynamics and subsequently the air – fuel mixing depends on a lot of the parameters of fuel injecting the nozzle. The approach used to model turbulence induced in – nozzle cavitation for high-torque low-speed diesel engine, is homogeneous equilibrium model. The governing equations were modeled using Matlab. Complete Model in question was extensively evaluated by performing 3-D time-dependent simulations on Open FOAM, which is an open source flow solver and implemented in CFD (Computational Fluid Dynamics). Results thus obtained will be analyzed for better evaporation in the near-nozzle region. The proposed analyses will further help in better engine efficiency, low emission, and improved fuel economy.Keywords: cavitation, HEM model, nozzle flow, open foam, turbulence
Procedia PDF Downloads 277658 Free Energy Computation of A G-Quadruplex-Ligand Structure: A Classical Molecular Dynamics and Metadynamics Simulation Study
Authors: Juan Antonio Mondragon Sanchez, Ruben Santamaria
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The DNA G-quadruplex is a four-stranded DNA structure formed by stacked planes of four base paired guanines (G-quartet). Guanine rich DNA sequences appear in many sites of genomic DNA and can potential form G-quadruplexes, such as those occurring at 3'-terminus of the human telomeric DNA. The formation and stabilization of a G-quadruplex by small ligands at the telomeric region can inhibit the telomerase activity. In turn, the ligands can be used to down regulate oncogene expression making G-quadruplex an attractive target for anticancer therapy. Many G-quadruplex ligands have been proposed with a planar core to facilitate the pi–pi stacking and electrostatic interactions with the G-quartets. However, many drug candidates are impossibilitated to discriminate a G-quadruplex from a double helix DNA structure. In this context, it is important to investigate the site topology for the interaction of a G-quadruplex with a ligand. In this work, we determine the free energy surface of a G-quadruplex-ligand to study the binding modes of the G-quadruplex (TG4T) with the daunomycin (DM) drug. The complex TG4T-DM is studied using classical molecular dynamics in combination with metadynamics simulations. The metadynamics simulations permit an enhanced sampling of the conformational space with a modest computational cost and obtain free energy surfaces in terms of the collective variables (CV). The free energy surfaces of TG4T-DM exhibit other local minima, indicating the presence of additional binding modes of daunomycin that are not observed in short MD simulations without the metadynamics approach. The results are compared with similar calculations on a different structure (the mutated mu-G4T-DM where the 5' thymines on TG4T-DM have been deleted). The results should be of help to design new G-quadruplex drugs, and understand the differences in the recognition topology sites of the duplex and quadruplex DNA structures in their interaction with ligands.Keywords: g-quadruplex, cancer, molecular dynamics, metadynamics
Procedia PDF Downloads 448