Search results for: Montecarlo simulation

Authors: Hamidreza Ahmadi, Majid Abbasalizadeh, Ghasem Yazdani, Masoud Ahmadi

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In this paper a special kind of aerodynamic system as a spoiler has been designed and tried to show effects of this devise on braking system of vehicle. Moreover, position of this spoiler has been considered in order to find optimum point from safety and highest rate of braking view for spoiler. Fluent software is our main tool to calculate rate of extra force that is produced by spoiler and this article has been tried to use various figures that are showed effects of spoiler at different speeds, angles and also heights. Other major points in this paper are static pressure of vehicle at different speed and statues. Undoubtedly, shape of spoiler would be very important, so in this investigation spoiler has been designed and proposed after a lot of simulation for different shape of spoiler. In the end, there is very important part as validation since these simulations must be validated by experimental way to prove our claims. In this case, a special kind of BMW has been simulated and results have been compared by experimental results that have been presented by BMW Company. Difference between simulation results and experimental results are very little and it could be a suitable validation for this project.

Keywords: drag force, down force, vehicle, spoiler

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Authors: Wheyming Song, Ssu-Ping Lin

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The primary advantage of package-on-package (PoP) packaging is that since it has less volume, it weighs less. But this is also related to its principal drawback, which is warpage. This research investigates how PoP package warpage patterns are affected by assembling process parameters, including substrate temperature, injection speed, injection temperature, and compound forces. We also investigate how warpage patterns are affected by the location of the silicon chip. The methodologies used in this research are design of experiment and warpage simulation via ANSYS. We propose a regression model to predict the warpage value as a function of substrate temperature, injection speed, injection temperature, and compound forces. Our results show that interaction effects exist between substrate temperature and compound forces and between injection speed and injection temperature. Therefore, determining the optimal values for substrate temperature, compound forces, injection speed, and injection temperature cannot be done individually. Also, our results show that the warpage patterns based on the location of silicon chips can be classified into 11 groups, with the largest warpage occurring at the left-most and right-most sides.

Keywords: package-on-package, warpage, design of experiment, simulation

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Authors: H. Oudira, A. Saifi

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The therapeutic utility of certain Auger emitters such as iodine-125 depends on their position within the cell nucleus . Or diagnostically, and to maintain as low as possible cell damage, it is preferable to have radionuclide localized outside the cell or at least the core. One solution to this problem is to consider markers capable of conveying anticancer drugs to the tumor site regardless of their location within the human body. The objective of this study is to simulate the impact of a complex such as bleomycin on single and double strand breaks in the DNA molecule. Indeed, this simulation consists of the following transactions: - Construction of BLM -Fe- DNA complex. - Simulation of the electron’s transport from the metastable state excitation of Fe 57 by the Monte Carlo method. - Treatment of chemical reactions in the considered environment by the diffusion equation. For physical, physico-chemical and finally chemical steps, the geometry of the complex is considered as a sphere of 50 nm centered on the binding site , and the mathematical method used is called step by step based on Monte Carlo codes.

Keywords: concentration, yield, radical species, bleomycin, excitation, DNA

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Authors: Mateus Silva Mendonça, Wender Pereira de Oliveira, Gabriel Heleno de Paula Araújo, Hiago Tenório Teixeira Santana Rocha, Augusto César Teixeira Malaquias, José Guilherme Coelho Baeta

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The stricter legislation and the greater demand of the population regard to gas emissions and their effects on the environment as well as on human health make the automotive industry reinforce research focused on reducing levels of contamination. This reduction can be achieved through the implementation of improvements in internal combustion engines in such a way that they promote the reduction of both specific fuel consumption and air pollutant emissions. These improvements can be obtained through numerical simulation, which is a technique that works together with experimental tests. The aim of this paper is to build, with support of the GT-Suite software, a one-dimensional model of a single-cylinder research engine to analyze the impact of the variation of swirl and tumble coefficients on the performance and on the air pollutant emissions of an engine. Initially, the discharge coefficient is calculated through the software Converge CFD 3D, given that it is an input parameter in GT-Power. Mesh sensitivity tests are made in 3D geometry built for this purpose, using the mass flow rate in the valve as a reference. In the one-dimensional simulation is adopted the non-predictive combustion model called Three Pressure Analysis (TPA) is, and then data such as mass trapped in cylinder, heat release rate, and accumulated released energy are calculated, aiming that the validation can be performed by comparing these data with those obtained experimentally. Finally, the swirl and tumble coefficients are introduced in their corresponding objects so that their influences can be observed when compared to the results obtained previously.

Keywords: 1D simulation, single-cylinder research engine, swirl coefficient, three pressure analysis, tumble coefficient

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Authors: Ping Xu, Gregory T. Golm, Guanghan (Frank) Liu

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In the presence of competing events, traditional survival analysis may not be appropriate and can result in biased estimates, as it assumes independence between competing events and the event of interest. Instead, competing risk analysis should be considered to correctly estimate the survival probability of the event of interest and the hazard ratio between treatment groups. The COVID-19 pandemic has provided a potential source of competing risks in clinical trials, as participants in trials may experienceCOVID-related competing events before the occurrence of the event of interest, for instance, death due to COVID-19, which can affect the incidence rate of the event of interest. We have performed simulation studies to compare multiple competing risk analysis models, including the cumulative incidence function, the sub-distribution hazard function, and the cause-specific hazard function, to the traditional survival analysis model under various scenarios. We also provide a general recommendation on conducting competing risk analysis in randomized clinical trials during the era of the COVID-19 pandemic based on the extensive simulation results.

Keywords: competing risk, survival analysis, simulations, randomized clinical trial, COVID-19 pandemic

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Authors: Palak J. Shukla, Atul K. Desai, Chentankumar D. Modhera

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For any country in the world, it has become a priority to protect the critical infrastructure from looming risks of terrorism. In any infrastructure system, the structural elements like lower floors, exterior columns, walls etc. are key elements which are the most susceptible to damage due to blast load. The present study revisits the state of art review of the design and analysis of reinforced concrete panels subjected to blast loading. Various aspects in association with blast loading on structure, i.e. estimation of blast load, experimental works carried out previously, the numerical simulation tools, various material models, etc. are considered for exploring the current practices adopted worldwide. Discussion on various parametric studies to investigate the effect of reinforcement ratios, thickness of slab, different charge weight and standoff distance is also made. It was observed that for the simulation of blast load, CONWEP blast function or equivalent numerical equations were successfully employed by many researchers. The study of literature indicates that the researches were carried out using experimental works and numerical simulation using well known generalized finite element methods, i.e. LS-DYNA, ABAQUS, AUTODYN. Many researchers recommended to use concrete damage model to represent concrete and plastic kinematic material model to represent steel under action of blast loads for most of the numerical simulations. Most of the studies reveal that the increase reinforcement ratio, thickness of slab, standoff distance was resulted in better blast resistance performance of reinforced concrete panel. The study summarizes the various research results and appends the present state of knowledge for the structures exposed to blast loading.

Keywords: blast phenomenon, experimental methods, material models, numerical methods

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Authors: Jayotpaul Chaudhuri, Lutz Goedeke, Torsten Hallenga, Peter Ehrhard

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Purification of gases from aerosols or airborne particles via filters is widely applied in the industry and in our daily lives. This separation especially in the micron and submicron size range is a necessary step to protect the environment and human health. Fibrous filters are often employed due to their low cost and high efficiency. For designing any filter the two most important performance parameters are capture efficiency and pressure drop. Since the capture efficiency is directly proportional to the pressure drop which leads to higher operating costs, a detailed investigation of the separation mechanism is required to optimize the filter designing, i.e., to have a high capture efficiency with a lower pressure drop. Therefore a two-dimensional flow simulation around a single fiber using Ansys CFX and Matlab is used to get insight into the separation process. Instead of simulating a solid fiber, the present Ansys CFX model uses a fictitious domain approach for the fiber by implementing a momentum loss model. This approach has been chosen to avoid creating a new mesh for different fiber sizes, thereby saving time and effort for re-meshing. In a first step, only the flow of the continuous fluid around the fiber is simulated in Ansys CFX and the flow field data is extracted and imported into Matlab and the particle trajectory is calculated in a Matlab routine. This calculation is a Lagrangian, one way coupled approach for particles with all relevant forces acting on it. The key parameters for the simulation in both Ansys CFX and Matlab are the porosity ε, the diameter ratio of particle and fiber D, the fluid Reynolds number Re, the Reynolds particle number Rep, the Stokes number St, the Froude number Fr and the density ratio of fluid and particle ρf/ρp. The simulation results were then compared to the single fiber theory from the literature.

Keywords: BBO-equation, capture efficiency, CFX, Matlab, fibrous filter, particle trajectory

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

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

Keywords: azimuthal thruster, dynamic positioning, embedded system, simulator dynamic positioning

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Authors: Liu Canqi, Zeng Junsheng

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This study identifies two typical bottlenecks that occur when a vehicle cannot change lanes: car following and car stopping. The ideas of traffic field and traffic mass are presented in this work. When there are other vehicles in front of the target vehicle within a particular distance, a force is created that affects the target vehicle's driving speed. The characteristics of the driver and the vehicle collectively determine the traffic mass; the driving speed of the vehicle and external variables have no bearing on this. From a physical level, this study examines the vehicle's bottleneck when following a car, identifies the outside factors that have an impact on how it drives, takes into account that the vehicle will transform kinetic energy into potential energy during deceleration, and builds a calculation model for traffic mass. The energy-time conversion coefficient is created from an economic standpoint utilizing the social average wage level and the average cost of motor fuel. Vissim simulation program measures the vehicle's deceleration distance and delays under the Wiedemann car-following model. The difference between the measured value of deceleration delay acquired by simulation and the theoretical value calculated by the model is compared using the conversion calculation model of traffic mass and deceleration delay. The experimental data demonstrate that the model is reliable since the error rate between the theoretical calculation value of the deceleration delay obtained by the model and the measured value of simulation results is less than 10%. The article's conclusion is that the traffic field has an impact on moving cars on the road and that physical and socioeconomic factors should be taken into account while studying vehicle-following behavior. The deceleration delay value of a vehicle's driving and traffic mass have a socioeconomic relationship that can be utilized to calculate the energy-time conversion coefficient when dealing with the bottleneck of cars stopping and starting.

Keywords: traffic field, social economics, traffic mass, bottleneck, deceleration delay

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Authors: Chunye Gong, Ming Tie, Jie Liu, Weimin Bao, Xinbiao Gan, Shengguo Li, Bo Yang, Xuguang Chen, Tiaojie Xiao, Yang Sun

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Large-scale CFD simulation relies on high-performance parallel computing, and the load balance is the key role which affects the parallel efficiency. This paper focuses on the load-balancing problem of parallel CFD simulation with structured mesh. A mathematical model for this load-balancing problem is presented. The genetic algorithm, fitness computing, two-level code are designed. Optimal selector, robust operator, and local optimization operator are designed. The properties of the presented genetic algorithm are discussed in-depth. The effects of optimal selector, robust operator, and local optimization operator are proved by experiments. The experimental results of different test sets, DLR-F4, and aircraft design applications show the presented load-balancing algorithm is robust, quickly converged, and is useful in real engineering problems.

Keywords: genetic algorithm, load-balancing algorithm, optimal variation, local optimization

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Authors: Andi Darmawan, Dewi Retno Sari Saputro, Purnami Widyaningsih

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Diabetes mellitus (DM) is a chronic disease in human that occurred if pancreas cannot produce enough of insulin hormone or the body uses ineffectively insulin hormone which causes increasing level of glucose in the blood, or it was called hyperglycemia. In Indonesia, DM is a serious disease on health because it can cause blindness, kidney disease, diabetic feet (gangrene), and stroke. The type of DM criteria can also be divided based on the main causes; they are DM type 1, type 2, and gestational. Diabetes type 1 or previously known as insulin-independent diabetes is due to a lack of production of insulin hormone. Diabetes type 2 or previously known as non-insulin dependent diabetes is due to ineffective use of insulin while gestational diabetes is a hyperglycemia that found during pregnancy. The most one type commonly found in patient is DM type 2. The main factors of this disease are genetic (A) and life style (E). Those disease with 2 factors can be constructed with additive genetic and unique environment (AE) model. In this article was discussed parameter estimation of AE model using Bayesian method and the inheritance character simulation on parent-offspring. On the AE model, there are response variable, predictor variables, and parameters were capable of representing the number of population on research. The population can be measured through a taken random sample. The response and predictor variables can be determined by sample while the parameters are unknown, so it was required to estimate the parameters based on the sample. Estimation of AE model parameters was obtained based on a joint posterior distribution. The simulation was conducted to get the value of genetic variance and life style variance. The results of simulation are 0.3600 for genetic variance and 0.0899 for life style variance. Therefore, the variance of genetic factor in DM type 2 is greater than life style.

Keywords: AE model, Bayesian method, diabetes mellitus type 2, genetic, life style

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Authors: Avinash Chaudhary, Akhilesh Gupta, Surendra Kumar, Ravi Kumar

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This paper presents the numerical study on Jatropha oil pool fire in a compartment. A fire experiment with jatropha oil was conducted in a compartment of size 4 m x 4 m x m to study the fire development and temperature distribution. Fuel is burned in the center of the compartment in a pool diameter of 0.5 m with an initial fuel depth of 0.045 m. Corner temperature in the compartment, doorway temperature and hot gas layer temperature at various locations are measured. Numerical simulations were carried out using Fire Dynamics Simulator (FDS) software at grid size of 0.05 m, 0.12 m and for performing simulation heat release rate of jatropha oil measured using mass loss method were inputted into FDS. Experimental results shows that like other fuel fires, the whole combustion process can be divided into four stages: initial stage, growth stage, steady profile or developed phase and decay stage. The fire behavior shows two zone profile where upper zone consists of mainly hot gases while lower zone is relatively at colder side. In this study, predicted temperatures from simulation are in good agreement in upper zone of compartment. Near the interface of hot and cold zone, deviations were reported between the simulated and experimental results which is probably due to the difference between the predictions of smoke layer height by FDS. Also, changing the grid size from 0.12 m to 0.05 m does not show any effect in temperatures at upper zone while in lower zone, grid size of 0.05 m showed satisfactory agreement with experimental results. Numerical results showed that calculated temperatures at various locations matched well with the experimental results. On the whole, an effective method is provided with reasonable results to study the burning characteristics of jatropha oil with numerical simulations.

Keywords: jatropha oil, compartment fire, heat release rate, FDS (fire dynamics simulator), numerical simulation

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Authors: Mahdi Motahari, Mojtaba Farzaneh, Armin Parsian Nejad

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The rapidly growing wind industry is highly expressing the need for education and training worldwide, particularly on the system level. Modelling and simulating wind generator system using Matlab-Simulink provides expert help in understanding wind systems engineering and system design. Working under Matlab-Simulink we present the integration of the developed WECS model with public electrical grid. A test of the calculated power and Cp related to the experimental equivalent data, using statistical analysis is performed. The statistical indicators of accuracy show better results of the presented method with RMSE: 21%, 22%, MBE : 0.77%, 0.12 % and MAE :3%, 4%.On the other hand we study its behavior when integrated in whole power system. Three level of wind speeds have been chosen: low with 5m/s as the mean value, medium with 8m/s as the mean value and high speed with 12m/s as the mean value. These allowed predicting and supervising the active power produced by the system, characterized respectively by the middle powers of -150 kW, -250kW and -480 kW which will be injected directly into the public electrical grid and the reactive power, characterized respectively by the middle powers of 60 kW, 180 kW and 320 kW and will be consumed by the wind generator.

Keywords: modelling, simulation, wind generator, fixed speed wind turbine, Matlab-Simulink

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Authors: Nader Pourmahmoud, Amir Hassanzadeh

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This article investigates the effects of inlet pressure in a newly introduced vortex tube which has been equipped with an additional vortex chamber. A 3-D compressible turbulent flow computation has been carried out toward analysis of complex flow field in this apparatus. Numerical results of flows are derived by utilizing the standard k-ε turbulence model for analyzing high rotating complex flow field. The present research has focused on cooling effect and given a characteristics curve for minimum cool temperature. In addition, the effect of inlet pressure for both chambers has been studied in details. To be presented numerical results show that the effect of inlet pressure in second chamber has more important role in improving the performance of the vortex tube than first one. By increasing the pressure in the second chamber, cold outlet temperature reaches a higher decrease. When both chambers are fed with high pressure fluid, best operation condition of vortex tube occurs. However, it is not possible to feed both chambers with high pressure due to the conditions of working environment.

Keywords: energy separation, inlet pressure, numerical simulation, vortex chamber, vortex tube

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Authors: M. Salmanpour, O. Nourani Zonouz

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In this research, a numerical simulation of an Electrohydrodynamic (EHD) actuator’s effects on the flow around a square cylinder by using a finite volume method has been investigated. This is one of the newest ways for controlling the fluid flows. Two plate electrodes are flush-mounted on the surface of the cylinder and one wire electrode is placed on the line with zero angle of attack relative to the stagnation point and excited with DC power supply. The discharge produces an electric force and changes the local momentum behaviors in the fluid layers. For this purpose, after selecting proper domain and boundary conditions, the electric field relating to the problem has been analyzed and then the results in the form of electrical body force have been entered in the governing equations of fluid field (Navier-Stokes equations). The effect of ionic wind resulted from the Electrohydrodynamic actuator, on the velocity, pressure and the wake behind cylinder has been considered. According to the results, it is observed that the fluid flow accelerates in the nearest wall of the frontal half of the cylinder and the pressure difference between frontal and hinder cylinder is increased.

Keywords: CFD, corona discharge, electro hydrodynamics, flow around square cylinders, simulation

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Authors: Jia-Shiun Chen, Quoc-Viet Huynh

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This work develops a flexible-body dynamic model of an all-terrain vehicle (ATV), capable of recovering dynamic stresses while the ATV travels on random bumpy roads. The fatigue life of components is forecasted as well. While considering the interaction between dynamic forces and structure deformation, the proposed model achieves a highly accurate structure stress prediction and fatigue life prediction. During the simulation, stress time history of the ATV structure is retrieved for life prediction. Finally, the hot sports of the ATV frame are located, and the frame life for combined road conditions is forecasted, i.e. 25833.6 hr. If the usage of vehicle is eight hours daily, the total vehicle frame life is 8.847 years. Moreover, the reaction force and deformation due to the dynamic motion can be described more accurately by using flexible body dynamics than by using rigid-body dynamics. Based on recommendations made in the product design stage before mass production, the proposed model can significantly lower development and testing costs.

Keywords: flexible-body dynamics, veicle, dynamics, fatigue, durability

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Authors: Sakshi Piplani, Ajit Kumar

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Valproic acid (VPA) is the first synthetic therapeutic agent used to treat epileptic disorders, which account for affecting nearly 1% world population. Teratogenicity caused by VPA has prompted the search for next generation drug with better efficacy and lower side effects. Recent studies have posed HDAC8 as direct target of VPA that causes the teratogenic effect in foetus. We have employed molecular dynamics (MD) and docking simulations to understand the binding mode of VPA and their analogues onto HDAC8. A total of twenty 3D-structures of human HDAC8 isoforms were selected using BLAST-P search against PDB. Multiple sequence alignment was carried out using ClustalW and PDB-3F07 having least missing and mutated regions was selected for study. The missing residues of loop region were constructed using MODELLER and energy was minimized. A set of 216 structural analogues (>90% identity) of VPA were obtained from Pubchem and ZINC database and their energy was optimized with Chemsketch software using 3-D CHARMM-type force field. Four major neurotransmitters (GABAt, SSADH, α-KGDH, GAD) involved in anticonvulsant activity were docked with VPA and its analogues. Out of 216 analogues, 75 were selected on the basis of lower binding energy and inhibition constant as compared to VPA, thus predicted to have anti-convulsant activity. Selected hHDAC8 structure was then subjected to MD Simulation using licenced version YASARA with AMBER99SB force field. The structure was solvated in rectangular box of TIP3P. The simulation was carried out with periodic boundary conditions and electrostatic interactions and treated with Particle mesh Ewald algorithm. pH of system was set to 7.4, temperature 323K and pressure 1atm respectively. Simulation snapshots were stored every 25ps. The MD simulation was carried out for 20ns and pdb file of HDAC8 structure was saved every 2ns. The structures were analysed using castP and UCSF Chimera and most stabilized structure (20ns) was used for docking study. Molecular docking of 75 selected VPA-analogues with PDB-3F07 was performed using AUTODOCK4.2.6. Lamarckian Genetic Algorithm was used to generate conformations of docked ligand and structure. The docking study revealed that VPA and its analogues have more affinity towards ‘hydrophobic active site channel’, due to its hydrophobic properties and allows VPA and their analogues to take part in van der Waal interactions with TYR24, HIS42, VAL41, TYR20, SER138, TRP137 while TRP137 and SER138 showed hydrogen bonding interaction with VPA-analogues. 14 analogues showed better binding affinity than VPA. ADMET SAR server was used to predict the ADMET properties of selected VPA analogues for predicting their druggability. On the basis of ADMET screening, 09 molecules were selected and are being used for in-vivo evaluation using Danio rerio model.

Keywords: HDAC8, docking, molecular dynamics simulation, valproic acid

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Authors: Farahnaz Karami

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Routing is an important, challenging task in mobile ad hoc networks due to node mobility, lack of central control, unstable links, and limited resources. An ant colony has been found to be an attractive technique for routing in Mobile Ad Hoc Networks (MANETs). However, existing swarm intelligence based routing protocols find an optimal path by considering only one or two route selection metrics without considering correlations among such parameters making them unsuitable lonely for routing real time applications. Fuzzy logic combines multiple route selection parameters containing uncertain information or imprecise data in nature, but does not have multipath routing property naturally in order to provide load balancing. The objective of this paper is to design a routing algorithm using fuzzy logic and ant colony that can solve some of routing problems in mobile ad hoc networks, such as nodes energy consumption optimization to increase network lifetime, link failures rate reduction to increase packet delivery reliability and providing load balancing to optimize available bandwidth. In proposed algorithm, the path information will be given to fuzzy inference system by ants. Based on the available path information and considering the parameters required for quality of service (QoS), the fuzzy cost of each path is calculated and the optimal paths will be selected. NS2.35 simulation tools are used for simulation and the results are compared and evaluated with the newest QoS based algorithms in MANETs according to packet delivery ratio, end-to-end delay and routing overhead ratio criterions. The simulation results show significant improvement in the performance of these networks in terms of decreasing end-to-end delay, and routing overhead ratio, and also increasing packet delivery ratio.

Keywords: mobile ad hoc networks, routing, quality of service, ant colony, fuzzy logic

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Authors: Loke Kean Koay, Mani Maran Ratnam

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A mechanically-resonant torsional spring scanner was developed in a recent study. Various methods were developed to improve the angular displacement of the scanner while maintaining the scanner frequency. However, the effects of rotor magnet radial position on scanner characteristics were not well investigated. In this study, the relationships between the magnet position and the scanner characteristics such as natural frequency, angular displacement and stress level were studied. A finite element model was created and an average deviation of 3.18% was found between the simulation and experimental results, qualifying the simulation results as a guide for further investigations. Three magnet positions on the transverse oscillating suspended plate were investigated by finite element analysis (FEA) and one of the positions were selected as the design position. The magnet position with the longest distance from the twist axis of the mirror was selected since it attains minimum stress level while exceeding the minimum critical flicker frequency and delivering the targeted angular displacement to the scanner.

Keywords: torsional scanner, design optimization, computer-aided design, magnet position variation

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Authors: Murali Aarthy, Sanjeev Kumar Singh

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High risk human papillomaviruses are highly associated with the carcinoma of the cervix and the other genital tumors. Cervical cancer develops through the multistep process in which increasingly severe premalignant dysplastic lesions called cervical intraepithelial neoplastic progress to invasive cancer. The oncoprotein E7 of human papillomavirus expressed in the lower epithelial layers drives the cells into S-phase creating an environment conducive for viral genome replication and cell proliferation. The replication of the virus occurs in the terminally differentiating epithelium and requires the activation of cellular DNA replication proteins. To date, no suitable drug molecule is available to treat HPV infection whereas identification of potential drug targets and development of novel anti-HPV chemotherapies with unique mode of actions are expected. Hence, our present study aimed to identify the potential inhibitors analogous to EGCG, a green tea molecule which is considered to be safe to use for mammalian systems. A 3D similarity search on the natural small molecule library from natural product database using EGCG identified 11 potential hits based on their similarity score. The structure based docking strategies were implemented in the potential hits and the key interacting residues of protein with compounds were identified through simulation studies and binding free energy calculations. The conformational changes between the apoprotein and the complex were analyzed with the simulation and the results demonstrated that the dynamical and structural effects observed in the protein were induced by the compounds and indicated the dominance to the oncoprotein. Overall, our study provides the basis for the structural insights of the identified potential hits and EGCG and hence, the analogous compounds identified can be potent inhibitors against the HPV 16 E7 oncoprotein.

Keywords: EGCG, oncoprotein, molecular dynamics simulation, analogues

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Authors: Muhammad Abu-Khaizaran, Ahmad Faza’, Tariq Othman, Yahia Yousef

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This paper presents a study to provide sufficient and reliable information about constructing a Photovoltaic energy profile of the Birzeit University campus (BZU) based on the weather forecast. The developed Photovoltaic energy profile helps to predict the energy yield of the Photovoltaic systems based on the weather forecast and hence helps planning energy production and consumption. Two models will be developed in this paper; a Clear Sky Irradiance model and a Cloud-Cover Radiation model to predict the irradiance for a clear sky day and a cloudy day, respectively. The adopted procedure for developing such models takes into consideration two levels of abstraction. First, irradiance and weather data were acquired by a sensory (measurement) system installed on the rooftop of the Information Technology College building at Birzeit University campus. Second, power readings of a fully operational 51kW commercial Photovoltaic system installed in the University at the rooftop of the adjacent College of Pharmacy-Nursing and Health Professions building are used to validate the output of a simulation model and to help refine its structure. Based on a comparison between a mathematical model, which calculates Clear Sky Irradiance for the University location and two sets of accumulated measured data, it is found that the simulation system offers an accurate resemblance to the installed PV power station on clear sky days. However, these comparisons show a divergence between the expected energy yield and actual energy yield in extreme weather conditions, including clouding and soiling effects. Therefore, a more accurate prediction model for irradiance that takes into consideration weather factors, such as relative humidity and cloudiness, which affect irradiance, was developed; Cloud-Cover Radiation Model (CRM). The equivalent mathematical formulas implement corrections to provide more accurate inputs to the simulation system. The results of the CRM show a very good match with the actual measured irradiance during a cloudy day. The developed Photovoltaic profile helps in predicting the output energy yield of the Photovoltaic system installed at the University campus based on the predicted weather conditions. The simulation and practical results for both models are in a very good match.

Keywords: clear-sky irradiance model, cloud-cover radiation model, photovoltaic, weather forecast

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Authors: Vipulkumar Jagodana

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Recently the use of renewable sources has increased, these sources include fuel cell, photo voltaic, and wind turbine. Islanding occurs when one portion of grid is isolated from remaining grid. Use of the renewable sources can provide continuous power to isolated portion in islanding condition. One of the common renewable sources is wind generation using wind turbine. The efficiency of wind generation can be increased in combination with conventional sources. When islanding occurs, few parameters change which may be frequency, voltage, active power, and harmonics. According to large change in one of these parameters islanding is detected. In this paper, two passive methods Rate of Change of Frequency (ROCOF) and Rate of change of Power (ROCOP) have been implemented for islanding detection of small wind-turbine. Islanding detection of both methods have been simulated in PSCAD. Simulation results show at different islanding inception angle response of ROCOF and ROCOP.

Keywords: islanding, adopted methods, PSCAD simulation, comparison

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Authors: Giulio Mangano, Alberto De Marco, Giovanni Zenezini

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The concept of City Logistics (CL) has emerged to improve the impacts of last mile freight distribution in urban areas. In this paper, a System Dynamics (SD) model exploring the dynamics of the diffusion of a ICT platform for CL management across different populations is proposed. For the development of the model two sources have been used. On the one hand, the major diffusion variables and feedback loops are derived from a literature review of existing diffusion models. On the other hand, the parameters are represented by the value propositions delivered by the platform as a response to some of the users’ needs. To extract the most important value propositions the Business Model Canvas approach has been used. Such approach in fact focuses on understanding how a company can create value for her target customers. These variables and parameters are thus translated into a SD diffusion model with three different populations namely municipalities, logistics service providers, and own account carriers. Results show that, the three populations under analysis fully adopt the platform within the simulation time frame, highlighting a strong demand by different stakeholders for CL projects aiming at carrying out more efficient urban logistics operations.

Keywords: city logistics, simulation, system dynamics, business model

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Authors: M.Sivaramakrishnaiah, D. S .Nasan, P. V. Subhanjeneyulu, J. A. Sandeep Kumar, N. Sreenivasulu, B. V. Amarnath Reddy, B. Veeralingam

Abstract:

Design, numerical simulation, fabrication, and physical experimentation of the Tesla’s Bladeless centripetal turbine for generating electrical power are presented in this research paper. 29 Pressurized air combined with water via a nozzle system is made to pass tangentially through a set of parallel smooth discs surfaces, which impart rotational motion to the discs fastened common shaft for the power generation. The power generated depends upon the fluid speed parameter leaving the nozzle inlet. Physically due to laminar boundary layer phenomena at smooth disc surface, the high speed fluid layers away from the plate moving against the low speed fluid layers nearer to the plate develop a tangential drag from the viscous shear forces. This compels the nearer layers to drag along with the high layers causing the disc to spin. Solid Works design software and fluid mechanics and machine elements design theories was used to compute mechanical design specifications of turbine parts like 48 mm diameter discs, common shaft, central exhaust, plenum chamber, swappable nozzle inlets, etc. Also, ANSYS CFX 2018 was used for the numerical 2 simulation of the physical phenomena encountered in the turbine working. When various numerical simulation and physical experimental results were verified, there is good agreement between them 6, both quantitatively and qualitatively. The sources of input and size of the blades may affect the power generated and turbine efficiency, respectively. The results may change if there is a change in the fluid flowing between the discs. The inlet fluid pressure versus turbine efficiency and the number of discs versus turbine power studies based on both results were carried out to develop the 8 relationships between the inlet and outlet parameters of the turbine. The present research work obtained the turbine efficiency in the range of 7-10%, and for this range; the electrical power output generated was 50-60 W.

Keywords: tesla turbine, cohesion type bladeless turbine, boundary layer theory, cohesion type bladeless turbine, tangential fluid flow, viscous and adhesive forces, plenum chamber, pico hydro systems

Procedia PDF Downloads 87

Authors: Adil Loya, Ali Haider, Arslan A. Ghaffor, Abubaker Siddique

Abstract:

Simulation and modelling of Unmanned Aero Vehicle (UAV) has gained wide popularity in front of aerospace community. The demand of designing and modelling optimized control system for UAV has increased ten folds since last decade. The reason is next generation warfare is dependent on unmanned technologies. Therefore, this research focuses on the simulation of nonlinear UAV dynamics on Simulink and its integration with Flightgear. There has been lots of research on implementation of optimizing control using Simulink, however, there are fewer known techniques to simulate these dynamics over Flightgear and a tedious technique of acquiring data has been tackled in this research horizon. Sending data to Flightgear is easy but receiving it from Simulink is not that straight forward, i.e. we can only receive control data on the output. However, in this research we have managed to get the data out from the Flightgear by implementation of level 2 s-function block within Simulink. Moreover, the results captured from Flightgear over a Universal Datagram Protocol (UDP) communication are then compared with the attitude signal that were sent previously. This provide useful information regarding the difference in outputs attained from Simulink to Flightgear. It was found that values received on Simulink were in high agreement with that of the Flightgear output. And complete study has been conducted in a discrete way.

Keywords: aerospace, flight control, flightgear, communication, Simulink

Procedia PDF Downloads 286

Authors: Elmongi Elbellili, Ben Lauwens, Daan Huybrechs

Abstract:

The increasing complexity of modern engineering systems presents a challenge to the digital simulation of these systems which usually can be represented by differential equations. The Linearly Implicit Quantized State System (LIQSS) offers an alternative approach to traditional numerical integration techniques for solving Ordinary Differential Equations (ODEs). This method proved effective for handling discontinuous and large stiff systems. However, the inherent discrete nature of LIQSS may introduce oscillations that result in unnecessary computational steps. The current oscillation detection mechanism relies on a condition that checks the significance of the derivatives, but it could be further improved. This paper describes a different cycle detection mechanism and presents the outcomes using LIQSS order one in simulating the Advection Diffusion problem. The efficiency of this new cycle detection mechanism is verified by comparing the performance of the current solver against the new version as well as a reference solution using a Runge-Kutta method of order14.

Keywords: numerical integration, quantized state systems, ordinary differential equations, stiffness, cycle detection, simulation

Procedia PDF Downloads 60

Authors: M. S. Jouini, A. Al-Sumaiti, M. Tembely, K. Rahimov

Abstract:

Characterizing rock properties of carbonate reservoirs is highly challenging because of rock heterogeneities revealed at several length scales. In the last two decades, the Digital Rock Physics (DRP) approach was implemented successfully in sandstone rocks reservoirs in order to understand rock properties behaviour at the pore scale. This approach uses 3D X-ray Microtomography images to characterize pore network and also simulate rock properties from these images. Even though, DRP is able to predict realistic rock properties results in sandstone reservoirs it is still suffering from a lack of clear workflow in carbonate rocks. The main challenge is the integration of properties simulated at different scales in order to obtain the effective rock property of core plugs. In this paper, we propose several approaches to characterize absolute permeability in some carbonate core plugs samples using multi-scale numerical simulation workflow. In this study, we propose a procedure to simulate porosity and absolute permeability of a carbonate rock sample using textures of Micro-Computed Tomography images. First, we discretize X-Ray Micro-CT image into a regular grid. Then, we use a textural parametric model to classify each cell of the grid using supervised classification. The main parameters are first and second order statistics such as mean, variance, range and autocorrelations computed from sub-bands obtained after wavelet decomposition. Furthermore, we fill permeability property in each cell using two strategies based on numerical simulation values obtained locally on subsets. Finally, we simulate numerically the effective permeability using Darcy’s law simulator. Results obtained for studied carbonate sample shows good agreement with the experimental property.

Keywords: multiscale modeling, permeability, texture, micro-tomography images

Procedia PDF Downloads 183

Authors: Mauricio Becerra Fernández, Olga Rosana Romero Quiroga, Elsa Cristina González La Rotta

Abstract:

The logistics facilities design and construction is one of the strategic decisions that critically affects the performance of the company, from the economic perspective and relationship with customers. The case study company is the Colombian logistic sector leader, with over 60 years of experience, with sales of about one hundred twenty million dollars at the end of 2014. The preliminary design for the warehouse layout and operation includes a customer that provides approximately 17% of the profits of the company, considering the possibility of moving two forklifts in the warehouse halls. Some changes were not consider in previous stages of design, operations required forklift with different characteristics, whose size, do not allow the circulation of more than a forklift at a time. Therefore, it is necessary to assess the impact of this restriction on the warehouse operation, so decision makers implement actions to achieve efficient operation. The problem is addressed by recognizing logistics processes, which develop in a warehouse, collection of processes information behavior, the simulation of the current situation using ProModel software, model validation, making adjustments required, experiments design, conclusions and recommendations for the company.

Keywords: design, discrete events simulation, forklift allocation, logistics facilities, warehouse

Procedia PDF Downloads 303

Authors: Daniel Martin Fellows, Sean P. Walton, Jennifer Thompson, Oubay Hassan, Ella Quigley, Kevin Tinkham

Abstract:

Fire performance is a crucial aspect to consider when designing cladding products, and testing this performance is extremely expensive. Appropriate use of numerical simulation of fire performance has the potential to reduce the total number of fire tests required when designing a product by eliminating poor-performing design ideas early in the design phase. Due to the complexity of fire and the large spectrum of failures it can cause, multi-disciplinary models are needed to capture the complex fire behavior and its structural effects on its surroundings. Working alongside Tata Steel U.K., the authors have focused on completing a coupled CFD-FEA simulation model suited to test Polyisocyanurate (PIR) based sandwich panel products to gain confidence before costly experimental standards testing. The sandwich panels are part of a thermally insulating façade system primarily for large non-domestic buildings. The work presented in this paper compares two coupling methodologies of a replicated physical experimental standards test LPS 1181-1, carried out by Tata Steel U.K. The two coupling methodologies that are considered within this research are; one-way and two-way. A one-way coupled analysis consists of importing thermal data from the CFD solver into the FEA solver. A two-way coupling analysis consists of continuously importing the updated changes in thermal data, due to the fire's behavior, to the FEA solver throughout the simulation. Likewise, the mechanical changes will also be updated back to the CFD solver to include geometric changes within the solution. For CFD calculations, a solver called Fire Dynamic Simulator (FDS) has been chosen due to its adapted numerical scheme to focus solely on fire problems. Validation of FDS applicability has been achieved in past benchmark cases. In addition, an FEA solver called ABAQUS has been chosen to model the structural response to the fire due to its crushable foam plasticity model, which can accurately model the compressibility of PIR foam. An open-source code called FDS-2-ABAQUS is used to couple the two solvers together, using several python modules to complete the process, including failure checks. The coupling methodologies and experimental data acquired from Tata Steel U.K are compared using several variables. The comparison data includes; gas temperatures, surface temperatures, and mechanical deformation of the panels. Conclusions are drawn, noting improvements to be made on the current coupling open-source code FDS-2-ABAQUS to make it more applicable to Tata Steel U.K sandwich panel products. Future directions for reducing the computational cost of the simulation are also considered.

Keywords: fire engineering, numerical coupling, sandwich panels, thermo fluids

Procedia PDF Downloads 90

Authors: Samuel Ahamefula

Abstract:

Turbulent motion is a highly nonlinear and complex phenomenon, and its modelling is still very challenging. In this study, we developed a hybrid computational approach to accurately simulate fluid turbulence phenomenon. The focus is coupling and transitioning between Direct Numerical Simulation (DNS) and Large Eddy Simulating Wall Models (LES-WM) regions. In the framework, high-order fidelity fluid dynamical methods are utilized to simulate the unsteady compressible Navier-Stokes equations in the Eulerian format on the unstructured moving grids. The coupling and transitioning of DNS and LES-WM are conducted through the linearly staggered Dirichlet-Neumann coupling scheme. The high-fidelity framework is verified and validated based on namely, DNS ability for capture full range of turbulent scales, giving accurate results and LES-WM efficiency in simulating near-wall turbulent boundary layer by using wall models.

Keywords: computational methods, turbulence modelling, turbulence entropy, navier-stokes equations

Procedia PDF Downloads 101