Search results for: molecular docking and simulation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 6902

Search results for: molecular docking and simulation

6152 CFD Simulation and Investigation of Critical Two-Phase Flow Rate in Wellhead Choke

Authors: Alireza Rafie Boldaji, Ahmad Saboonchi

Abstract:

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

Keywords: CFD, two-phase, choke, critical

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6151 Isolation and Molecular Identification of Two Fungal Strains Capable of Degrading hydrocarbon Contaminants on Saudi Arabian Environment

Authors: Amr A. EL Hanafy, Yasir Anwar, Saleh A. Mohamed, Saleh Mohamed Saleh Al-Garni, Jamal S. M. Sabir , Osama A. H. Abu Zinadah, Mohamed Morsi Ahmed

Abstract:

In the vicinity of the red sea about 15 fungi species were isolated from oil contaminated sites. On the basis of aptitude to degrade the crude oil and DCPIP assay, two fungal isolates were selected amongst 15 oil degrading strains. Analysis of ITS-1, ITS-2 and amplicon pyrosequencing studies of fungal diversity revealed that these strains belong to Penicillium and Aspergillus species. Two strains that proved to be the most efficient in degrading crude oil was Aspergillus niger (54 %) and Penicillium commune (48 %) Subsequent to two weeks of cultivation in BHS medium the degradation rate were recorded by using spectrophotometer and GC-MS. Hence, it is cleared that these fungal strains has the capability of degradation and can be utilized for cleaning the Saudi Arabian environment.

Keywords: fungal strains, hydrocarbon contaminants, molecular identification, biodegradation, GC-MS

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6150 Evaluating the Feasibility of Magnetic Induction to Cross an Air-Water Boundary

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

Abstract:

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

Keywords: magnetic induction, FDTD, underwater communication, Sommerfeld

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6149 Compensation of Power Quality Disturbances Using DVR

Authors: R. Rezaeipour

Abstract:

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

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

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6148 Process Simulation of 1-Butene Separation from C4 Mixture by Extractive Distillation

Authors: Muhammad Naeem, Abdulrahman A. Al-Rabiah, Wasif Mughees

Abstract:

Technical mixture of C4 containing 1-butene and n-butane are very close to each other with regard to their boiling points i.e. -6.3°C for 1-butene and -1°C for n-butane. Extractive distillation process is used for the separation of 1-butene from the existing mixture of C4. The solvent is the essential of extractive distillation, and an appropriate solvent plays an important role in the process economy of extractive distillation. Aspen Plus has been applied for the separation of these hydrocarbons as a simulator. Moreover, NRTL activity coefficient model was used in the simulation. This model indicated that the material balances in this separation process were accurate for several solvent flow rates. Mixture of acetonitrile and water used as a solvent and 99% pure 1-butene was separated. This simulation proposed the ratio of the feed to solvent as 1: 7.9 and 15 plates for the solvent recovery column. Previously feed to solvent ratio was more than this and the number of proposed plates were 30, which shows that the separation process can be economized.

Keywords: extractive distillation, 1-butene, aspen plus, ACN solvent

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6147 Prediction and Reduction of Cracking Issue in Precision Forging of Engine Valves Using Finite Element Method

Authors: Xi Yang, Bulent Chavdar, Alan Vonseggern, Taylan Altan

Abstract:

Fracture in hot precision forging of engine valves was investigated in this paper. The entire valve forging procedure was described and the possible cause of the fracture was proposed. Finite Element simulation was conducted for the forging process, with commercial Finite Element code DEFORMTM. The effects of material properties, the effect of strain rate and temperature were considered in the FE simulation. Two fracture criteria were discussed and compared, based on the accuracy and reliability of the FE simulation results. The selected criterion predicted the fracture location and shows the trend of damage increasing with good accuracy, which matches the experimental observation. Additional modification of the punch shapes was proposed to further reduce the tendency of fracture in forging. Finite Element comparison shows a great potential of such application in the mass production.

Keywords: hotforging, engine valve, fracture, tooling

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6146 Behaviour of Non-local Correlations and Quantum Information Theoretic Measures in Frustrated Molecular Wheels

Authors: Amit Tribedi

Abstract:

Genuine Quantumness present in Quantum Systems is the resource for implementing Quantum Information and Computation Protocols which can outperform the classical counterparts. These Quantumness measures encompass non-local ones known as quantum entanglement (QE) and quantum information theoretic (QIT) ones, e.g. Quantum Discord (QD). In this paper, some well-known measures of QE and QD in some wheel-like frustrated molecular magnetic systems have been studied. One of the systems has already been synthesized using coordination chemistry, and the other is hypothetical, where the dominant interaction is the spin-spin exchange interaction. Exact analytical methods and exact numerical diagonalization methods have been used. Some counter-intuitive non-trivial features, like non-monotonicity of quantum correlations with temperature, persistence of multipartite entanglement over bipartite ones etc. indicated by the behaviour of the correlations and the QIT measures have been found. The measures, being operational ones, can be used to realize the resource of Quantumness in experiments.

Keywords: 0D Magnets, discord, entanglement, frustration

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6145 Simulation-Based Learning in the Exercise Science Curriculum: Peer Role Play vs Professional Simulated Patient

Authors: Nathan Reeves

Abstract:

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

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

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6144 The Application of Simulation Techniques to Enhance Nitroglycerin Production Efficiency: A Case Study of the Military Explosive Factory in Nakhon Sawan Province

Authors: Jeerasak Wisatphan, Nara Samattapapong

Abstract:

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

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

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6143 Improving Trainings of Mineral Processing Operators Through Gamification and Modelling and Simulation

Authors: Pedro A. S. Bergamo, Emilia S. Streng, Jan Rosenkranz, Yousef Ghorbani

Abstract:

Within the often-hazardous mineral industry, simulation training has speedily gained appreciation as an important method of increasing site safety and productivity through enhanced operator skill and knowledge. Performance calculations related to froth flotation, one of the most important concentration methods, is probably the hardest topic taught during the training of plant operators. Currently, most training teach those skills by traditional methods like slide presentations and hand-written exercises with a heavy focus on memorization. To optimize certain aspects of these pieces of training, we developed “MinFloat”, which teaches the operation formulas of the froth flotation process with the help of gamification. The simulation core based on a first-principles flotation model was implemented in Unity3D and an instructor tutoring system was developed, which presents didactic content and reviews the selected answers. The game was tested by 25 professionals with extensive experience in the mining industry based on a questionnaire formulated for training evaluations. According to their feedback, the game scored well in terms of quality, didactic efficacy and inspiring character. The feedback of the testers on the main target audience and the outlook of the mentioned solution is presented. This paper aims to provide technical background on the construction of educational games for the mining industry besides showing how feedback from experts can more efficiently be gathered thanks to new technologies such as online forms.

Keywords: training evaluation, simulation based training, modelling, and simulation, froth flotation

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6142 Study the Sloshing Phenomenon in the Tank Filled Partially with Liquid Using Computational Fluid Dynamics (CFD) Simulation

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

Abstract:

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

Keywords: CFD, sloshing, VOF, multiphase

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6141 Numerical Simulation of the Flow Channel in the Curved Plane Oil Skimmer

Authors: Xing Feng, Yuanbin Li

Abstract:

Oil spills at sea can cause severe marine environmental damage, including bringing huge hazards to living resources and human beings. In situ burning or chemical dispersant methods can be used to handle the oil spills sometimes, but these approaches will bring secondary pollution and fail in some situations. Oil recovery techniques have also been developed to recover oil using oil skimmer equipment installed on ships, while the hydrodynamic process of the oil flowing through the oil skimmer is very complicated and important for evaluating the recovery efficiency. Based on this, a two-dimensional numerical simulation platform for simulating the hydrodynamic process of the oil flowing through the oil skimmer is established based on the Navier-Stokes equations for viscous, incompressible fluid. Finally, the influence of the design of the flow channel in the curved plane oil skimmer on the hydrodynamic process of the oil flowing through the oil skimmer is investigated based on the established simulation platform.

Keywords: curved plane oil skimmer, flow channel, CFD, VOF

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6140 Simulation-Based Optimization of a Non-Uniform Piezoelectric Energy Harvester with Stack Boundary

Authors: Alireza Keshmiri, Shahriar Bagheri, Nan Wu

Abstract:

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

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

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6139 Impact of Wheel-Housing on Aerodynamic Drag and Effect on Energy Consumption on an Bus

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

Abstract:

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

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

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6138 Simulation-Based Validation of Safe Human-Robot-Collaboration

Authors: Titanilla Komenda

Abstract:

Human-machine-collaboration defines a direct interaction between humans and machines to fulfil specific tasks. Those so-called collaborative machines are used without fencing and interact with humans in predefined workspaces. Even though, human-machine-collaboration enables a flexible adaption to variable degrees of freedom, industrial applications are rarely found. The reasons for this are not technical progress but rather limitations in planning processes ensuring safety for operators. Until now, humans and machines were mainly considered separately in the planning process, focusing on ergonomics and system performance respectively. Within human-machine-collaboration, those aspects must not be seen in isolation from each other but rather need to be analysed in interaction. Furthermore, a simulation model is needed that can validate the system performance and ensure the safety for the operator at any given time. Following on from this, a holistic simulation model is presented, enabling a simulative representation of collaborative tasks – including both, humans and machines. The presented model does not only include a geometry and a motion model of interacting humans and machines but also a numerical behaviour model of humans as well as a Boole’s probabilistic sensor model. With this, error scenarios can be simulated by validating system behaviour in unplanned situations. As these models can be defined on the basis of Failure Mode and Effects Analysis as well as probabilities of errors, the implementation in a collaborative model is discussed and evaluated regarding limitations and simulation times. The functionality of the model is shown on industrial applications by comparing simulation results with video data. The analysis shows the impact of considering human factors in the planning process in contrast to only meeting system performance. In this sense, an optimisation function is presented that meets the trade-off between human and machine factors and aids in a successful and safe realisation of collaborative scenarios.

Keywords: human-machine-system, human-robot-collaboration, safety, simulation

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6137 Analysis of Information Sharing and Capacity Constraint on Backlog Bullwhip Effect in Two Level Supply Chain

Authors: Matloub Hussaina

Abstract:

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

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

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6136 Chemometric Estimation of Inhibitory Activity of Benzimidazole Derivatives by Linear Least Squares and Artificial Neural Networks Modelling

Authors: Sanja O. Podunavac-Kuzmanović, Strahinja Z. Kovačević, Lidija R. Jevrić, Stela Jokić

Abstract:

The subject of this paper is to correlate antibacterial behavior of benzimidazole derivatives with their molecular characteristics using chemometric QSAR (Quantitative Structure–Activity Relationships) approach. QSAR analysis has been carried out on the inhibitory activity of benzimidazole derivatives against Staphylococcus aureus. The data were processed by linear least squares (LLS) and artificial neural network (ANN) procedures. The LLS mathematical models have been developed as a calibration models for prediction of the inhibitory activity. The quality of the models was validated by leave one out (LOO) technique and by using external data set. High agreement between experimental and predicted inhibitory acivities indicated the good quality of the derived models. These results are part of the CMST COST Action No. CM1306 "Understanding Movement and Mechanism in Molecular Machines".

Keywords: Antibacterial, benzimidazoles, chemometric, QSAR.

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6135 Study of a Photovoltaic System Using MPPT Buck-Boost Converter

Authors: A. Bouchakour, L. Zaghba, M. Brahami, A. Borni

Abstract:

The work presented in this paper present the design and the simulation of a centrifugal pump coupled to a photovoltaic (PV) generator via a MPPT controller. The PV system operating is just done in sunny period by using water storage instead of electric energy storage. The process concerns the modelling, identification and simulation of a photovoltaic pumping system, the centrifugal pump is driven by an asynchronous three-phase voltage inverter sine triangle PWM motor through. Two configurations were simulated. For the first, it is about the alimentation of the motor pump group from electrical power supply. For the second, the pump unit is connected directly to the photovoltaic panels by integration of a MPPT control. A code of simulation of the solar pumping system was initiated under the Matlab-Simulink environment. Very convivial and flexible graphic interfaces allow an easy use of the code and knowledge of the effects of change of the sunning and temperature on the pumping system.

Keywords: photovoltaic generator, chopper, electrical motor, centrifugal pump

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6134 Folding of β-Structures via the Polarized Structure-Specific Backbone Charge (PSBC) Model

Authors: Yew Mun Yip, Dawei Zhang

Abstract:

Proteins are the biological machinery that executes specific vital functions in every cell of the human body by folding into their 3D structures. When a protein misfolds from its native structure, the machinery will malfunction and lead to misfolding diseases. Although in vitro experiments are able to conclude that the mutations of the amino acid sequence lead to incorrectly folded protein structures, these experiments are unable to decipher the folding process. Therefore, molecular dynamic (MD) simulations are employed to simulate the folding process so that our improved understanding of the folding process will enable us to contemplate better treatments for misfolding diseases. MD simulations make use of force fields to simulate the folding process of peptides. Secondary structures are formed via the hydrogen bonds formed between the backbone atoms (C, O, N, H). It is important that the hydrogen bond energy computed during the MD simulation is accurate in order to direct the folding process to the native structure. Since the atoms involved in a hydrogen bond possess very dissimilar electronegativities, the more electronegative atom will attract greater electron density from the less electronegative atom towards itself. This is known as the polarization effect. Since the polarization effect changes the electron density of the two atoms in close proximity, the atomic charges of the two atoms should also vary based on the strength of the polarization effect. However, the fixed atomic charge scheme in force fields does not account for the polarization effect. In this study, we introduce the polarized structure-specific backbone charge (PSBC) model. The PSBC model accounts for the polarization effect in MD simulation by updating the atomic charges of the backbone hydrogen bond atoms according to equations derived between the amount of charge transferred to the atom and the length of the hydrogen bond, which are calculated from quantum-mechanical calculations. Compared to other polarizable models, the PSBC model does not require quantum-mechanical calculations of the peptide simulated at every time-step of the simulation and maintains the dynamic update of atomic charges, thereby reducing the computational cost and time while accounting for the polarization effect dynamically at the same time. The PSBC model is applied to two different β-peptides, namely the Beta3s/GS peptide, a de novo designed three-stranded β-sheet whose structure is folded in vitro and studied by NMR, and the trpzip peptides, a double-stranded β-sheet where a correlation is found between the type of amino acids that constitute the β-turn and the β-propensity.

Keywords: hydrogen bond, polarization effect, protein folding, PSBC

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6133 Study of Flow-Induced Noise Control Effects on Flat Plate through Biomimetic Mucus Injection

Authors: Chen Niu, Xuesong Zhang, Dejiang Shang, Yongwei Liu

Abstract:

Fishes can secrete high molecular weight fluid on their body skin to enable their rapid movement in the water. In this work, we employ a hybrid method that combines Computational Fluid Dynamics (CFD) and Finite Element Method (FEM) to investigate the effects of different mucus viscosities and injection velocities on fluctuation pressure in the boundary layer and flow-induced structural vibration noise of a flat plate model. To accurately capture the transient flow distribution on the plate surface, we use Large Eddy Simulation (LES) while the mucus inlet is positioned at a sufficient distance from the model to ensure effective coverage. Mucus injection is modeled using the Volume of Fluid (VOF) method for multiphase flow calculations. The results demonstrate that mucus control of pulsating pressure effectively reduces flow-induced structural vibration noise, providing an approach for controlling flow-induced noise in underwater vehicles.

Keywords: mucus, flow control, noise control, flow-induced noise

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6132 Unit Root Tests Based On the Robust Estimator

Authors: Wararit Panichkitkosolkul

Abstract:

The unit root tests based on the robust estimator for the first-order autoregressive process are proposed and compared with the unit root tests based on the ordinary least squares (OLS) estimator. The percentiles of the null distributions of the unit root test are also reported. The empirical probabilities of Type I error and powers of the unit root tests are estimated via Monte Carlo simulation. Simulation results show that all unit root tests can control the probability of Type I error for all situations. The empirical power of the unit root tests based on the robust estimator are higher than the unit root tests based on the OLS estimator.

Keywords: autoregressive, ordinary least squares, type i error, power of the test, Monte Carlo simulation

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6131 Numerical Simulation of Phase Transfer during Cryosurgery for an Irregular Tumor Using Hybrid Approach

Authors: Rama Bhargava

Abstract:

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

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

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6130 Integrative Omics-Portrayal Disentangles Molecular Heterogeneity and Progression Mechanisms of Cancer

Authors: Binder Hans

Abstract:

Cancer is no longer seen as solely a genetic disease where genetic defects such as mutations and copy number variations affect gene regulation and eventually lead to aberrant cell functioning which can be monitored by transcriptome analysis. It has become obvious that epigenetic alterations represent a further important layer of (de-)regulation of gene activity. For example, aberrant DNA methylation is a hallmark of many cancer types, and methylation patterns were successfully used to subtype cancer heterogeneity. Hence, unraveling the interplay between different omics levels such as genome, transcriptome and epigenome is inevitable for a mechanistic understanding of molecular deregulation causing complex diseases such as cancer. This objective requires powerful downstream integrative bioinformatics methods as an essential prerequisite to discover the whole genome mutational, transcriptome and epigenome landscapes of cancer specimen and to discover cancer genesis, progression and heterogeneity. Basic challenges and tasks arise ‘beyond sequencing’ because of the big size of the data, their complexity, the need to search for hidden structures in the data, for knowledge mining to discover biological function and also systems biology conceptual models to deduce developmental interrelations between different cancer states. These tasks are tightly related to cancer biology as an (epi-)genetic disease giving rise to aberrant genomic regulation under micro-environmental control and clonal evolution which leads to heterogeneous cellular states. Machine learning algorithms such as self organizing maps (SOM) represent one interesting option to tackle these bioinformatics tasks. The SOMmethod enables recognizing complex patterns in large-scale data generated by highthroughput omics technologies. It portrays molecular phenotypes by generating individualized, easy to interpret images of the data landscape in combination with comprehensive analysis options. Our image-based, reductionist machine learning methods provide one interesting perspective how to deal with massive data in the discovery of complex diseases, gliomas, melanomas and colon cancer on molecular level. As an important new challenge, we address the combined portrayal of different omics data such as genome-wide genomic, transcriptomic and methylomic ones. The integrative-omics portrayal approach is based on the joint training of the data and it provides separate personalized data portraits for each patient and data type which can be analyzed by visual inspection as one option. The new method enables an integrative genome-wide view on the omics data types and the underlying regulatory modes. It is applied to high and low-grade gliomas and to melanomas where it disentangles transversal and longitudinal molecular heterogeneity in terms of distinct molecular subtypes and progression paths with prognostic impact.

Keywords: integrative bioinformatics, machine learning, molecular mechanisms of cancer, gliomas and melanomas

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6129 Short-Term Physiological Evaluation of Augmented Reality System for Thanatophobia Psychotherapy

Authors: Kais Siala, Mohamed Kharrat, Mohamed Abid

Abstract:

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

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

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6128 Effectiveness of Earthing System in Vertical Configurations

Authors: S. Yunus, A. Suratman, N. Mohamad Nor, M. Othman

Abstract:

This paper presents the measurement and simulation results by Finite Element Method (FEM) for earth resistance (RDC) for interconnected vertical ground rod configurations. The soil resistivity was measured using the Wenner four-pin Method, and RDC was measured using the Fall of Potential (FOP) method, as outlined in the standard. Genetic Algorithm (GA) is employed to interpret the soil resistivity to that of a 2-layer soil model. The same soil resistivity data that were obtained by Wenner four-pin method were used in FEM for simulation. This paper compares the results of RDC obtained by FEM simulation with the real measurement at field site. A good agreement was seen for RDC obtained by measurements and FEM. This shows that FEM is a reliable software to be used for design of earthing systems. It is also found that the parallel rod system has a better performance compared to a similar setup using a grid layout.

Keywords: earthing system, earth electrodes, finite element method, genetic algorithm, earth resistances

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6127 A Discrete Event Simulation Model For Airport Runway Operations Optimization (Case Study)

Authors: Awad Khireldin, Colin Law

Abstract:

Runways are the major infrastructure of airports around the world. Efficient operations of runways are key to ensure that airports are running smoothly with minimal delays. There are many factors that affect the efficiency of runway operations, such as the aircraft wake separation, runways system configuration, the fleet mix, and the runways separation distance. This paper aims to address how to maximize runway operations using a Discrete Event Simulation model. A case study of Cairo International Airport (CIA) is developed to maximize the utilizing of three parallel runways using a simulation model. Different scenarios have been designed where every runway could be assigned for arrival, departure, or mixed operations. A benchmarking study was also included to compare the actual to the proposed results to spot the potential improvements. The simulation model shows that there is a significant difference in utilization and delays between the actual and the proposed ones, there are several recommendations that can be provided to airport management, in the short and long term, to increase the efficiency and to reduce the delays. By including the recommendation with different operations scenarios, such as upgrading the airport slot Coordination from Level 1 to Level 2 in the short term. In the long run, discuss the possibilities to increase the International Air Transport association (IATA) slot coordination to Level 3 as more flights are expected to be handled by the airport. Technological advancements such as radar in the approach full airside simulation model could improve the airport performance where the airport is recommended to review the standard operations procedures with the appropriate authorities. Also, the airport can adopt a future operational plan to accommodate the forecasted additional traffic density in case of adding a fourth terminal building to increase the airport capacity.

Keywords: airport performance, runway, discrete event simulation, capacity, airside

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6126 Speed Control of Brushless DC Motor Using PI Controller in MATLAB Simulink

Authors: Do Chi Thanh, Dang Ngoc Huy

Abstract:

Nowadays, there are more and more variable speed drive systems in small-scale and large-scale applications such as the electric vehicle industry, household appliances, medical equipment, and other industrial fields led to the development of BLDC (Brushless DC) motors. BLDC drive has many advantages, such as higher efficiency, better speed torque characteristics, high power density, and low maintenance cost compared to other conventional motors. Most BLDC motors use a proportional-integral (PI) controller and a pulse width modulation (PWM) scheme for speed control. This article describes the simulation model of BLDC motor drive control with the help of MATLAB - SIMULINK simulation software. The built simulation model includes a BLDC motor dynamic block, Hall sensor signal generation block, inverter converter block, and PI controller.

Keywords: brushless DC motor, BLDC, six-step inverter, PI speed

Procedia PDF Downloads 70
6125 Numerical Simulation of Precast Concrete Panels for Airfield Pavement

Authors: Josef Novák, Alena Kohoutková, Vladimír Křístek, Jan Vodička

Abstract:

Numerical analysis software belong to the main tools for simulating the real behavior of various concrete structures and elements. In comparison with experimental tests, they offer an affordable way to study the mechanical behavior of structures under various conditions. The contribution deals with a precast element of an innovative airfield pavement system which is being developed within an ongoing scientific project. The proposed system consists a two-layer surface course of precast concrete panels positioned on a two-layer base of fiber-reinforced concrete with recycled aggregate. As the panels are supposed to be installed directly on the hardened base course, imperfections at the interface between the base course and surface course are expected. Considering such circumstances, three various behavior patterns could be established and considered when designing the precast element. Enormous costs of full-scale experiments force to simulate the behavior of the element in a numerical analysis software using finite element method. The simulation was conducted on a nonlinear model in order to obtain such results which could fully compensate results from the experiments. First, several loading schemes were considered with the aim to observe the critical one which was used for the simulation later on. The main objective of the simulation was to optimize reinforcement of the element subject to quasi-static loading from airplanes. When running the simulation several parameters were considered. Namely, it concerns geometrical imperfections, manufacturing imperfections, stress state in reinforcement, stress state in concrete and crack width. The numerical simulation revealed that the precast element should be heavily reinforced to fulfill all the demands assumed. The main cause of using high amount of reinforcement is the size of the imperfections which could occur at real structure. Improving manufacturing quality, the installation of the precast panels on a fresh base course or using a bedding layer underneath the surface course belong to the main steps how to reduce the size of imperfections and consequently lower the consumption of reinforcement.

Keywords: nonlinear analysis, numerical simulation, precast concrete, pavement

Procedia PDF Downloads 252
6124 Power Integrity Analysis of Power Delivery System in High Speed Digital FPGA Board

Authors: Anil Kumar Pandey

Abstract:

Power plane noise is the most significant source of signal integrity (SI) issues in a high-speed digital design. In this paper, power integrity (PI) analysis of multiple power planes in a power delivery system of a 12-layer high-speed FPGA board is presented. All 10 power planes of HSD board are analyzed separately by using 3D Electromagnetic based PI solver, then the transient simulation is performed on combined PI data of all planes along with voltage regulator modules (VRMs) and 70 current drawing chips to get the board level power noise coupling on different high-speed signals. De-coupling capacitors are placed between power planes and ground to reduce power noise coupling with signals.

Keywords: power integrity, power-aware signal integrity analysis, electromagnetic simulation, channel simulation

Procedia PDF Downloads 432
6123 Simulation of Surface Runoff in Mahabad Dam Basin, Iran

Authors: Leila Khosravi

Abstract:

A major part of the drinking water in North West of Iran is supplied from Mahabad reservoir 80 km northwest of Mahabad. This reservoir collects water from 750 km-catchment which is undergoing accelerated changes due to deforestation and urbanization. The main objective of this study is to develop a catchment modeling platform which translates ongoing land-use changes, soil data, precipitation and evaporation into surface runoff of the river discharging into the reservoir: Soil and Water Assessment Tool, SWAT, model along with hydro -meteorological records of 1997–2011. A variety of statistical indices were used to evaluate the simulation results for both calibration and validation periods; among them, the robust Nash–Sutcliffe coefficients were found to be 0.52 and 0.62 in the calibration and validation periods, respectively. This project has developed a reliable modeling platform with the benchmark land physical conditions of the Mahabad dam basin.

Keywords: simulation, surface runoff, Mahabad dam, SWAT model

Procedia PDF Downloads 203