Search results for: computational modeling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5413

Search results for: computational modeling

5263 Modeling Exponential Growth Activity Using Technology: A Research with Bachelor of Business Administration Students

Authors: V. Vargas-Alejo, L. E. Montero-Moguel

Abstract:

Understanding the concept of function has been important in mathematics education for many years. In this study, the models built by a group of five business administration and accounting undergraduate students when carrying out a population growth activity are analyzed. The theoretical framework is the Models and Modeling Perspective. The results show how the students included tables, graphics, and algebraic representations in their models. Using technology was useful to interpret, describe, and predict the situation. The first model, the students built to describe the situation, was linear. After that, they modified and refined their ways of thinking; finally, they created exponential growth. Modeling the activity was useful to deep on mathematical concepts such as covariation, rate of change, and exponential function also to differentiate between linear and exponential growth.

Keywords: covariation reasoning, exponential function, modeling, representations

Procedia PDF Downloads 94
5262 Numerical Study of Off-Design Performance of a Highly Loaded Low Pressure Turbine Cascade

Authors: Shidvash Vakilipour, Mehdi Habibnia, Rouzbeh Riazi, Masoud Mohammadi, Mohammad H. Sabour

Abstract:

The flow field passing through a highly loaded low pressure (LP) turbine cascade is numerically investigated at design and off-design conditions. The Field Operation And Manipulation (OpenFOAM) platform is used as the computational Fluid Dynamics (CFD) tool. Firstly, the influences of grid resolution on the results of k-ε, k-ω, and LES turbulence models are investigated and compared with those of experimental measurements. A numerical pressure under-shoot is appeared near the end of blade pressure surface which is sensitive to grid resolution and flow turbulence modeling. The LES model is able to resolve separation on a coarse and fine grid resolutions. Secondly, the off-design flow condition is modeled by negative and positive inflow incidence angles. The numerical experiments show that a separation bubble generated on blade pressure side is predicted by LES. The total pressure drop is also been calculated at incidence angle between -20◦ and +8◦. The minimum total pressure drop is obtained by k-ω and LES at the design point.

Keywords: low pressure turbine, off-design performance, openFOAM, turbulence modeling, flow separation

Procedia PDF Downloads 331
5261 2D CFD-PBM Coupled Model of Particle Growth in an Industrial Gas Phase Fluidized Bed Polymerization Reactor

Authors: H. Kazemi Esfeh, V. Akbari, M. Ehdaei, T. N. G. Borhani, A. Shamiri, M. Najafi

Abstract:

In an industrial fluidized bed polymerization reactor, particle size distribution (PSD) plays a significant role in the reactor efficiency evaluation. The computational fluid dynamic (CFD) models coupled with population balance equation (CFD-PBM) have been extensively employed to investigate the flow behavior in the poly-disperse multiphase fluidized bed reactors (FBRs) utilizing ANSYS Fluent code. In this study, an existing CFD-PBM/ DQMOM coupled modeling framework has been used to highlight its potential to analyze the industrial-scale gas phase polymerization reactor. The predicted results reveal an acceptable agreement with the observed industrial data in terms of pressure drop and bed height. The simulated results also indicate that the higher particle growth rate can be achieved for bigger particles. Hence, the 2D CFD-PBM/DQMOM coupled model can be used as a reliable tool for analyzing and improving the design and operation of the gas phase polymerization FBRs.

Keywords: computational fluid dynamics, population balance equation, fluidized bed polymerization reactor, direct quadrature method of moments

Procedia PDF Downloads 340
5260 Integrating and Evaluating Computational Thinking in an Undergraduate Marine Science Course

Authors: Dana Christensen

Abstract:

Undergraduate students, particularly in the environmental sciences, have difficulty displaying quantitative skills in their laboratory courses. Students spend time sampling in the field, often using new methods, and are expected to make sense of the data they collect. Computational thinking may be used to navigate these new experiences. We developed a curriculum for the marine science department at a small liberal arts college in the Northeastern United States based on previous computational thinking frameworks. This curriculum incorporates marine science data sets with specific objectives and topics selected by the faculty at the College. The curriculum was distributed to all students enrolled in introductory marine science classes as a mandatory module. Two pre-tests and post-tests will be used to quantitatively assess student progress on both content-based and computational principles. Student artifacts are being collected with each lesson to be coded for content-specific and computational-specific items in qualitative assessment. There is an overall gap in marine science education research, especially curricula that focus on computational thinking and associated quantitative assessment. The curricula itself, the assessments, and our results may be modified and applied to other environmental science courses due to the nature of the inquiry-based laboratory components that use quantitative skills to understand nature.

Keywords: marine science, computational thinking, curriculum assessment, quantitative skills

Procedia PDF Downloads 31
5259 Fluid-Structure Interaction Study of Fluid Flow past Marine Turbine Blade Designed by Using Blade Element Theory and Momentum Theory

Authors: Abu Afree Andalib, M. Mezbah Uddin, M. Rafiur Rahman, M. Abir Hossain, Rajia Sultana Kamol

Abstract:

This paper deals with the analysis of flow past the marine turbine blade which is designed by using the blade element theory and momentum theory for the purpose of using in the field of renewable energy. The designed blade is analyzed for various parameters using FSI module of Ansys. Computational Fluid Dynamics is used for the study of fluid flow past the blade and other fluidic phenomena such as lift, drag, pressure differentials, energy dissipation in water. Finite Element Analysis (FEA) module of Ansys was used to analyze the structural parameter such as stress and stress density, localization point, deflection, force propagation. Fine mesh is considered in every case for more accuracy in the result according to computational machine power. The relevance of design, search and optimization with respect to complex fluid flow and structural modeling is considered and analyzed. The relevancy of design and optimization with respect to complex fluid for minimum drag force using Ansys Adjoint Solver module is analyzed as well. The graphical comparison of the above-mentioned parameter using CFD and FEA and subsequently FSI technique is illustrated and found the significant conformity between both the results.

Keywords: blade element theory, computational fluid dynamics, finite element analysis, fluid-structure interaction, momentum theory

Procedia PDF Downloads 268
5258 Lexical Bundles in the Alexiad of Anna Comnena: Computational and Discourse Analysis Approach

Authors: Georgios Alexandropoulos

Abstract:

The purpose of this study is to examine the historical text of Alexiad by Anna Comnena using computational tools for the extraction of lexical bundles containing the name of her father, Alexius Comnenus. For this reason, in this research we apply corpus linguistics techniques for the automatic extraction of lexical bundles and through them we will draw conclusions about how these lexical bundles serve her support provided to her father.

Keywords: lexical bundles, computational literature, critical discourse analysis, Alexiad

Procedia PDF Downloads 595
5257 Modeling of Erosion and Sedimentation Impacts from off-Road Vehicles in Arid Regions

Authors: Abigail Rosenberg, Jennifer Duan, Michael Poteuck, Chunshui Yu

Abstract:

The Barry M. Goldwater Range, West in southwestern Arizona encompasses 2,808 square kilometers of Sonoran Desert. The hyper-arid range has an annual rainfall of less than 10 cm with an average high temperature of 41 degrees Celsius in July to an average low of 4 degrees Celsius in January. The range shares approximately 60 kilometers of the international border with Mexico. A majority of the range is open for recreational use, primarily off-highway vehicles. Because of its proximity to Mexico, the range is also heavily patrolled by U.S. Customs and Border Protection seeking to intercept and apprehend inadmissible people and illicit goods. Decades of off-roading and Border Patrol activities have negatively impacted this sensitive desert ecosystem. To assist the range program managers, this study is developing a model to identify erosion prone areas and calibrate the model’s parameters using the Automated Geospatial Watershed Assessment modeling tool.

Keywords: arid lands, automated geospatial watershed assessment, erosion modeling, sedimentation modeling, watershed modeling

Procedia PDF Downloads 338
5256 Uplift Modeling Approach to Optimizing Content Quality in Social Q/A Platforms

Authors: Igor A. Podgorny

Abstract:

TurboTax AnswerXchange is a social Q/A system supporting users working on federal and state tax returns. Content quality and popularity in the AnswerXchange can be predicted with propensity models using attributes of the question and answer. Using uplift modeling, we identify features of questions and answers that can be modified during the question-asking and question-answering experience in order to optimize the AnswerXchange content quality. We demonstrate that adding details to the questions always results in increased question popularity that can be used to promote good quality content. Responding to close-ended questions assertively improve content quality in the AnswerXchange in 90% of cases. Answering knowledge questions with web links increases the likelihood of receiving a negative vote from 60% of the askers. Our findings provide a rationale for employing the uplift modeling approach for AnswerXchange operations.

Keywords: customer relationship management, human-machine interaction, text mining, uplift modeling

Procedia PDF Downloads 225
5255 Modeling of Silicon Window Layers for Solar Cells Based SIGE

Authors: Meriem Boukais, B. Dennai, A. Ould- Abbas

Abstract:

The efficiency of SiGe solar cells might be improved by a wide-band-gap window layer. In this work we were simulated using the one dimensional simulation program called analysis of microelectronic and photonic structures (AMPS-1D). In the modeling, the thickness of silicon window was varied from 80 to 150 nm. The rest of layer’s thicknesses were kept constant, by varying thickness of window layer the simulated device performance was demonstrate in the form of current-voltage (I-V) characteristics and quantum efficiency (QE).

Keywords: modeling, SiGe, AMPS-1D, quantum efficiency, conversion, efficiency

Procedia PDF Downloads 687
5254 Nonlinear Modeling of the PEMFC Based on NNARX Approach

Authors: Shan-Jen Cheng, Te-Jen Chang, Kuang-Hsiung Tan, Shou-Ling Kuo

Abstract:

Polymer Electrolyte Membrane Fuel Cell (PEMFC) is such a time-vary nonlinear dynamic system. The traditional linear modeling approach is hard to estimate structure correctly of PEMFC system. From this reason, this paper presents a nonlinear modeling of the PEMFC using Neural Network Auto-regressive model with eXogenous inputs (NNARX) approach. The multilayer perception (MLP) network is applied to evaluate the structure of the NNARX model of PEMFC. The validity and accuracy of NNARX model are tested by one step ahead relating output voltage to input current from measured experimental of PEMFC. The results show that the obtained nonlinear NNARX model can efficiently approximate the dynamic mode of the PEMFC and model output and system measured output consistently.

Keywords: PEMFC, neural network, nonlinear modeling, NNARX

Procedia PDF Downloads 351
5253 An Approach for Modeling CMOS Gates

Authors: Spyridon Nikolaidis

Abstract:

A modeling approach for CMOS gates is presented based on the use of the equivalent inverter. A new model for the inverter has been developed using a simplified transistor current model which incorporates the nanoscale effects for the planar technology. Parametric expressions for the output voltage are provided as well as the values of the output and supply current to be compatible with the CCS technology. The model is parametric according the input signal slew, output load, transistor widths, supply voltage, temperature and process. The transistor widths of the equivalent inverter are determined by HSPICE simulations and parametric expressions are developed for that using a fitting procedure. Results for the NAND gate shows that the proposed approach offers sufficient accuracy with an average error in propagation delay about 5%.

Keywords: CMOS gate modeling, inverter modeling, transistor current mode, timing model

Procedia PDF Downloads 402
5252 Evaluation of Numerical Modeling of Jet Grouting Design Using in situ Loading Test

Authors: Reza Ziaie Moayed, Ehsan Azini

Abstract:

Jet grouting (JG) is one of the methods of improving and increasing the strength and bearing of soil in which the high pressure water or grout is injected through the nozzles into the soil. During this process, a part of the soil and grout particles comes out of the drill borehole, and the other part is mixed up with the grout in place, as a result of this process, a mass of modified soil is created. The purpose of this method is to change the soil into a mixture of soil and cement, commonly known as "soil-cement". In this paper, first, the principles of high pressure injection and then the effective parameters in the JG method are described. Then, the tests on the samples taken from the columns formed from the excavation around the soil-cement columns, as well as the static loading test on the created column, are discussed. In the other part of this paper, the soil behavior models for numerical modeling in PLAXIS software are mentioned. The purpose of this paper is to evaluate the results of numerical modeling based on in-situ static loading tests. The results indicate an acceptable agreement between the results of the tests mentioned and the modeling results. Also, modeling with this software as an appropriate option for technical feasibility can be used to soil improvement using JG.

Keywords: jet grouting column, soil improvement, numerical modeling, in-situ loading test

Procedia PDF Downloads 107
5251 AER Model: An Integrated Artificial Society Modeling Method for Cloud Manufacturing Service Economic System

Authors: Deyu Zhou, Xiao Xue, Lizhen Cui

Abstract:

With the increasing collaboration among various services and the growing complexity of user demands, there are more and more factors affecting the stable development of the cloud manufacturing service economic system (CMSE). This poses new challenges to the evolution analysis of the CMSE. Many researchers have modeled and analyzed the evolution process of CMSE from the perspectives of individual learning and internal factors influencing the system, but without considering other important characteristics of the system's individuals (such as heterogeneity, bounded rationality, etc.) and the impact of external environmental factors. Therefore, this paper proposes an integrated artificial social model for the cloud manufacturing service economic system, which considers both the characteristics of the system's individuals and the internal and external influencing factors of the system. The model consists of three parts: the Agent model, environment model, and rules model (Agent-Environment-Rules, AER): (1) the Agent model considers important features of the individuals, such as heterogeneity and bounded rationality, based on the adaptive behavior mechanisms of perception, action, and decision-making; (2) the environment model describes the activity space of the individuals (real or virtual environment); (3) the rules model, as the driving force of system evolution, describes the mechanism of the entire system's operation and evolution. Finally, this paper verifies the effectiveness of the AER model through computational and experimental results.

Keywords: cloud manufacturing service economic system (CMSE), AER model, artificial social modeling, integrated framework, computing experiment, agent-based modeling, social networks

Procedia PDF Downloads 49
5250 Accelerated Evaluation of Structural Reliability under Tsunami Loading

Authors: Sai Hung Cheung, Zhe Shao

Abstract:

It is of our great interest to quantify the risk to structural dynamic systems due to earthquake-induced tsunamis in view of recent earthquake-induced tsunamis in Padang, 2004 and Tohoku, 2011 which brought huge losses of lives and properties. Despite continuous advancement in computational simulation of the tsunami and wave-structure interaction modeling, it still remains computationally challenging to evaluate the reliability of a structural dynamic system when uncertainties related to the system and its modeling are taken into account. The failure of the structure in a tsunami-wave-structural system is defined as any response quantities of the system exceeding specified thresholds during the time when the structure is subjected to dynamic wave impact due to earthquake-induced tsunamis. In this paper, an approach based on a novel integration of a recently proposed moving least squares response surface approach for stochastic sampling and the Subset Simulation algorithm is proposed. The effectiveness of the proposed approach is discussed by comparing its results with those obtained from the Subset Simulation algorithm without using the response surface approach.

Keywords: response surface, stochastic simulation, structural reliability tsunami, risk

Procedia PDF Downloads 646
5249 3D Modeling Approach for Cultural Heritage Structures: The Case of Virgin of Loreto Chapel in Cusco, Peru

Authors: Rony Reátegui, Cesar Chácara, Benjamin Castañeda, Rafael Aguilar

Abstract:

Nowadays, heritage building information modeling (HBIM) is considered an efficient tool to represent and manage information of cultural heritage (CH). The basis of this tool relies on a 3D model generally obtained from a cloud-to-BIM procedure. There are different methods to create an HBIM model that goes from manual modeling based on the point cloud to the automatic detection of shapes and the creation of objects. The selection of these methods depends on the desired level of development (LOD), level of information (LOI), grade of generation (GOG), as well as on the availability of commercial software. This paper presents the 3D modeling of a stone masonry chapel using Recap Pro, Revit, and Dynamo interface following a three-step methodology. The first step consists of the manual modeling of simple structural (e.g., regular walls, columns, floors, wall openings, etc.) and architectural (e.g., cornices, moldings, and other minor details) elements using the point cloud as reference. Then, Dynamo is used for generative modeling of complex structural elements such as vaults, infills, and domes. Finally, semantic information (e.g., materials, typology, state of conservation, etc.) and pathologies are added within the HBIM model as text parameters and generic models families, respectively. The application of this methodology allows the documentation of CH following a relatively simple to apply process that ensures adequate LOD, LOI, and GOG levels. In addition, the easy implementation of the method as well as the fact of using only one BIM software with its respective plugin for the scan-to-BIM modeling process means that this methodology can be adopted by a larger number of users with intermediate knowledge and limited resources since the BIM software used has a free student license.

Keywords: cloud-to-BIM, cultural heritage, generative modeling, HBIM, parametric modeling, Revit

Procedia PDF Downloads 118
5248 Fire and Explosion Consequence Modeling Using Fire Dynamic Simulator: A Case Study

Authors: Iftekhar Hassan, Sayedil Morsalin, Easir A Khan

Abstract:

Accidents involving fire occur frequently in recent times and their causes showing a great deal of variety which require intervention methods and risk assessment strategies are unique in each case. On September 4, 2020, a fire and explosion occurred in a confined space caused by a methane gas leak from an underground pipeline in Baitus Salat Jame mosque during Night (Esha) prayer in Narayanganj District, Bangladesh that killed 34 people. In this research, this incident is simulated using Fire Dynamics Simulator (FDS) software to analyze and understand the nature of the accident and associated consequences. FDS is an advanced computational fluid dynamics (CFD) system of fire-driven fluid flow which solves numerically a large eddy simulation form of the Navier–Stokes’s equations for simulation of the fire and smoke spread and prediction of thermal radiation, toxic substances concentrations and other relevant parameters of fire. This study focuses on understanding the nature of the fire and consequence evaluation due to thermal radiation caused by vapor cloud explosion. An evacuation modeling was constructed to visualize the effect of evacuation time and fractional effective dose (FED) for different types of agents. The results were presented by 3D animation, sliced pictures and graphical representation to understand fire hazards caused by thermal radiation or smoke due to vapor cloud explosion. This study will help to design and develop appropriate respond strategy for preventing similar accidents.

Keywords: consequence modeling, fire and explosion, fire dynamics simulation (FDS), thermal radiation

Procedia PDF Downloads 193
5247 Numerical Study of UV Irradiation Effect on Air Disinfection Systems

Authors: H. Shokouhmand, M. Degheh, B. Sajadi, H. Sobhani

Abstract:

The induct ultraviolet germicidal irradiation (UVGI) systems are broadly used nowadays and their utilization is widened every day. Even though these systems are not applicable individually, they are very suitable supplements for the traditional filtration systems. The amount of inactivated microorganisms is dependent on the air velocity, lamp power, fluence rate distribution, and also germicidal susceptibility of microorganisms. In this paper, these factors are investigated utilizing an air-microorganism two-phase numerical model. The eulerian-lagrangian method was used to have more detailed information on the history of each particle. The UVGI system was modeled in three steps including: 1) modeling the air flow, 2) modeling the discrete phase of particles, 3) modeling the UV intensity field, and 4) modeling the particle inactivation. The results from modeling different lamp arrangements and powers showed that the system functions better at more homogeneous irradiation distribution. Since increasing the air flow rate of the device results in increasing of particle inactivation rate, the optimal air velocity shall be adjusted in accordance with the microorganism production rate, and the air quality requirement using the curves represented in this paper.

Keywords: CFD, microorganism, two-phase flow, ultraviolet germicidal irradiation

Procedia PDF Downloads 294
5246 Agent-Based Modeling to Simulate the Dynamics of Health Insurance Markets

Authors: Haripriya Chakraborty

Abstract:

The healthcare system in the United States is considered to be one of the most inefficient and expensive systems when compared to other developed countries. Consequently, there are persistent concerns regarding the overall functioning of this system. For instance, the large number of uninsured individuals and high premiums are pressing issues that are shown to have a negative effect on health outcomes with possible life-threatening consequences. The Affordable Care Act (ACA), which was signed into law in 2010, was aimed at improving some of these inefficiencies. This paper aims at providing a computational mechanism to examine some of these inefficiencies and the effects that policy proposals may have on reducing these inefficiencies. Agent-based modeling is an invaluable tool that provides a flexible framework to model complex systems. It can provide an important perspective into the nature of some interactions that occur and how the benefits of these interactions are allocated. In this paper, we propose a novel and versatile agent-based model with realistic assumptions to simulate the dynamics of a health insurance marketplace that contains a mixture of private and public insurers and individuals. We use this model to analyze the characteristics, motivations, payoffs, and strategies of these agents. In addition, we examine the effects of certain policies, including some of the provisions of the ACA, aimed at reducing the uninsured rate and the cost of premiums to move closer to a system that is more equitable and improves health outcomes for the general population. Our test results confirm the usefulness of our agent-based model in studying this complicated issue and suggest some implications for public policies aimed at healthcare reform.

Keywords: agent-based modeling, healthcare reform, insurance markets, public policy

Procedia PDF Downloads 113
5245 Accidental Compartment Fire Dynamics: Experiment, Computational Fluid Dynamics Weakness and Expert Interview Analysis

Authors: Timothy Onyenobi

Abstract:

Accidental fires and its dynamic as it relates to building compartmentation and the impact of the compartment morphology, is still an on-going area of study; especially with the use of computational fluid dynamics (CFD) modeling methods. With better knowledge on this subject come better solution recommendations by fire engineers. Interviews were carried out for this study where it was identified that the response perspectives to accidental fire were different with the fire engineer providing qualitative data which is based on “what is expected in real fires” and the fire fighters provided information on “what actually obtains in real fires”. This further led to a study and analysis of two real and comprehensively instrumented fire experiments: the Open Plan Office Project by National Institute of Standard and Technology (NIST) USA (to study time to flashover) and the TF2000 project by the Building Research Establishment (BRE) UK (to test for conformity with Building Regulation requirements). The findings from the analysis of the experiments revealed the relative yet critical weakness of fire prediction using a CFD model (usually used by fire engineers) as well as explained the differences in response perspectives of the fire engineers and firefighters from the interview analysis.

Keywords: CFD, compartment fire, experiment, fire fighters, fire engineers

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5244 Fractional-Order Modeling of GaN High Electron Mobility Transistors for Switching Applications

Authors: Anwar H. Jarndal, Ahmed S. Elwakil

Abstract:

In this paper, a fraction-order model for pad parasitic effect of GaN HEMT on Si substrate is developed and validated. Open de-embedding structure is used to characterize and de-embed substrate loading parasitic effects. Unbiased device measurements are implemented to extract parasitic inductances and resistances. The model shows very good simulation for S-parameter measurements under different bias conditions. It has been found that this approach can improve the simulation of intrinsic part of the transistor, which is very important for small- and large-signal modeling process.

Keywords: fractional-order modeling, GaNHEMT, si-substrate, open de-embedding structure

Procedia PDF Downloads 328
5243 Bathymetric Change of Brahmaputra River and Its Influence on Flooding Scenario

Authors: Arup Kumar Sarma, Rohan Kar

Abstract:

The development of physical model of River like Brahmaputra, which finds its origin in the Chema Yundung glacier of Tibet and flows through India and Bangladesh, is always expensive and very much time consuming. With the advancement of computational technique, mathematical modeling has found wide application. MIKE 21C is one such commercial software, developed by Danish Hydraulic Institute (DHI), with the depth-averaged approach and a two-dimensional curvilinear finite-difference model, which is capable of modeling hydrodynamic and morphological processes with some limitations. The main purpose of this study are to generate bathymetry of the River Brahmaputra starting from “Sadia” at upstream to “Dhubri,” at downstream stretching a distance of approximately 695 km, for four different years: 1957, 1971, 1977, and 1981 over the grid generated in the MIKE 21C and to carry out the hydrodynamic simulation for these years to analyze the effect of bathymetry change on the surface water elevation. The study has established that bathymetric change can influence the flood level significantly in some of the river reaches and therefore the modification or updating of regular bathymetry is very much essential for the reliable flood routing in alluvial rivers.

Keywords: bathymetry, brahmaputra river, hydrodynamic model, surface water elevation

Procedia PDF Downloads 423
5242 A Comprehensive Method of Fault Detection and Isolation based on Testability Modeling Data

Authors: Junyou Shi, Weiwei Cui

Abstract:

Testability modeling is a commonly used method in testability design and analysis of system. A dependency matrix will be obtained from testability modeling, and we will give a quantitative evaluation about fault detection and isolation. Based on the dependency matrix, we can obtain the diagnosis tree. The tree provides the procedures of the fault detection and isolation. But the dependency matrix usually includes built-in test (BIT) and manual test in fact. BIT runs the test automatically and is not limited by the procedures. The method above cannot give a more efficient diagnosis and use the advantages of the BIT. A Comprehensive method of fault detection and isolation is proposed. This method combines the advantages of the BIT and Manual test by splitting the matrix. The result of the case study shows that the method is effective.

Keywords: fault detection, fault isolation, testability modeling, BIT

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5241 Bio-Guided of Active New Alkaloids from Alstonia Brassi Toxicity Antitumour Activity in Silico and Molecular Modeling

Authors: Mesbah Khaled, Bouraoui Ouissal, Benkiniouar Rachid, Belkhiri Lotfi

Abstract:

Alstonia, which are tropical plants with a wide geographical distribution, have been divided into different sections by different authors based on previous studies of several species within the genus. Monachino divides Alstonia into 5 sections, while Pichon divides it into 3 sections. Several plants belonging to this genus, such as Alstonia brassii, have been used in traditional folk medicine to treat ailments such as fever, malaria and dysentery]. Previous studies focusing on the chemical composition of these plants have successfully identified indol alkaloids with cytotoxic, anti-diabetic and anti-inflammatory properties. The newly discovered monomers are structurally similar to the backbones of picralin, affinisin and macrolin. On the other hand, all recently isolated dimeric compounds have a macrolin moiety. In this study, a computational analysis was performed on a series of novel molecules, including both monomeric and dimeric compounds with different structural frameworks. This investigation represents the first computational study of these molecules using an in silico approach incorporating 2D-QSAR data. The analysis involved various computational techniques, including 2D-QSAR modelling, molecular docking studies and subsequent validation by molecular dynamics simulation and assessment of ADMET properties. The chemical composition was identified by 1D and 2D NMR. Eight new alkaloids were isolated, 5 monomers and 3 dimers. In this section, we focus on the biological activity of 4 new alkaloids belonging to two different skeletons, the affinisine skeleton.

Keywords: affinisine, talcarpine, macroline, cytotoxicity, alkaloids

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5240 Predicting Loss of Containment in Surface Pipeline using Computational Fluid Dynamics and Supervised Machine Learning Model to Improve Process Safety in Oil and Gas Operations

Authors: Muhammmad Riandhy Anindika Yudhy, Harry Patria, Ramadhani Santoso

Abstract:

Loss of containment is the primary hazard that process safety management is concerned within the oil and gas industry. Escalation to more serious consequences all begins with the loss of containment, starting with oil and gas release from leakage or spillage from primary containment resulting in pool fire, jet fire and even explosion when reacted with various ignition sources in the operations. Therefore, the heart of process safety management is avoiding loss of containment and mitigating its impact through the implementation of safeguards. The most effective safeguard for the case is an early detection system to alert Operations to take action prior to a potential case of loss of containment. The detection system value increases when applied to a long surface pipeline that is naturally difficult to monitor at all times and is exposed to multiple causes of loss of containment, from natural corrosion to illegal tapping. Based on prior researches and studies, detecting loss of containment accurately in the surface pipeline is difficult. The trade-off between cost-effectiveness and high accuracy has been the main issue when selecting the traditional detection method. The current best-performing method, Real-Time Transient Model (RTTM), requires analysis of closely positioned pressure, flow and temperature (PVT) points in the pipeline to be accurate. Having multiple adjacent PVT sensors along the pipeline is expensive, hence generally not a viable alternative from an economic standpoint.A conceptual approach to combine mathematical modeling using computational fluid dynamics and a supervised machine learning model has shown promising results to predict leakage in the pipeline. Mathematical modeling is used to generate simulation data where this data is used to train the leak detection and localization models. Mathematical models and simulation software have also been shown to provide comparable results with experimental data with very high levels of accuracy. While the supervised machine learning model requires a large training dataset for the development of accurate models, mathematical modeling has been shown to be able to generate the required datasets to justify the application of data analytics for the development of model-based leak detection systems for petroleum pipelines. This paper presents a review of key leak detection strategies for oil and gas pipelines, with a specific focus on crude oil applications, and presents the opportunities for the use of data analytics tools and mathematical modeling for the development of robust real-time leak detection and localization system for surface pipelines. A case study is also presented.

Keywords: pipeline, leakage, detection, AI

Procedia PDF Downloads 145
5239 Binarized-Weight Bilateral Filter for Low Computational Cost Image Smoothing

Authors: Yu Zhang, Kohei Inoue, Kiichi Urahama

Abstract:

We propose a simplified bilateral filter with binarized coefficients for accelerating it. Its computational cost is further decreased by sampling pixels. This computationally low cost filter is useful for smoothing or denoising images by using mobile devices with limited computational power.

Keywords: bilateral filter, binarized-weight bilateral filter, image smoothing, image denoising, pixel sampling

Procedia PDF Downloads 447
5238 Computational Fluid Dynamicsfd Simulations of Air Pollutant Dispersion: Validation of Fire Dynamic Simulator Against the Cute Experiments of the Cost ES1006 Action

Authors: Virginie Hergault, Siham Chebbah, Bertrand Frere

Abstract:

Following in-house objectives, Central laboratory of Paris police Prefecture conducted a general review on models and Computational Fluid Dynamics (CFD) codes used to simulate pollutant dispersion in the atmosphere. Starting from that review and considering main features of Large Eddy Simulation, Central Laboratory Of Paris Police Prefecture (LCPP) postulates that the Fire Dynamics Simulator (FDS) model, from National Institute of Standards and Technology (NIST), should be well suited for air pollutant dispersion modeling. This paper focuses on the implementation and the evaluation of FDS in the frame of the European COST ES1006 Action. This action aimed at quantifying the performance of modeling approaches. In this paper, the CUTE dataset carried out in the city of Hamburg, and its mock-up has been used. We have performed a comparison of FDS results with wind tunnel measurements from CUTE trials on the one hand, and, on the other, with the models results involved in the COST Action. The most time-consuming part of creating input data for simulations is the transfer of obstacle geometry information to the format required by SDS. Thus, we have developed Python codes to convert automatically building and topographic data to the FDS input file. In order to evaluate the predictions of FDS with observations, statistical performance measures have been used. These metrics include the fractional bias (FB), the normalized mean square error (NMSE) and the fraction of predictions within a factor of two of observations (FAC2). As well as the CFD models tested in the COST Action, FDS results demonstrate a good agreement with measured concentrations. Furthermore, the metrics assessment indicate that FB and NMSE meet the tolerance acceptable.

Keywords: numerical simulations, atmospheric dispersion, cost ES1006 action, CFD model, cute experiments, wind tunnel data, numerical results

Procedia PDF Downloads 106
5237 Homology Modelling of Beta Defensin 3 of Bos taurus and Its Docking Studies with Molecules Responsible for Formation of Biofilm

Authors: Ravinder Singh, Ankita Gurao, Saroj Bandhan, Sudhir Kumar Kashyap

Abstract:

The Bos taurus Beta defensin 3 is a defensin peptide secreted by neutrophils and epithelial that exhibits anti-microbial activity. It is one of the crucial components forming an innate defense against intra mammary infections in livestock. The beta defensin 3 by virtue of its anti-microbial activity inhibits major mastitis pathogens including Staphylococcus aureus and Pseudomonas aeruginosa etc, which are also responsible for biofilm formation leading to antibiotic resistance phenomenon. Therefore, the defensin may prove as a non-conventional option to treat mastitis. In this study, computational analysis has been performed including sequence comparison among species and homology modeling of Bos taurus beta defensin 3 protein. The assessments of protein structure were done using the protein structure and model assessment tools integrated in Swiss Model server, which employs various local and global quality evaluation parameters. Further, molecular docking was also carried out between the defensin peptide and the components of biofilm to gain insight into various interactions and structural differences crucial for functionality of this protein.

Keywords: beta defensin 3, bos taurus, docking, homology modeling

Procedia PDF Downloads 265
5236 Designing Stochastic Non-Invasively Applied DC Pulses to Suppress Tremors in Multiple Sclerosis by Computational Modeling

Authors: Aamna Lawrence, Ashutosh Mishra

Abstract:

Tremors occur in 60% of the patients who have Multiple Sclerosis (MS), the most common demyelinating disease that affects the central and peripheral nervous system, and are the primary cause of disability in young adults. While pharmacological agents provide minimal benefits, surgical interventions like Deep Brain Stimulation and Thalamotomy are riddled with dangerous complications which make non-invasive electrical stimulation an appealing treatment of choice for dealing with tremors. Hence, we hypothesized that if the non-invasive electrical stimulation parameters (mainly frequency) can be computed by mathematically modeling the nerve fibre to take into consideration the minutest details of the axon morphologies, tremors due to demyelination can be optimally alleviated. In this computational study, we have modeled the random demyelination pattern in a nerve fibre that typically manifests in MS using the High-Density Hodgkin-Huxley model with suitable modifications to account for the myelin. The internode of the nerve fibre in our model could have up to ten demyelinated regions each having random length and myelin thickness. The arrival time of action potentials traveling the demyelinated and the normally myelinated nerve fibre between two fixed points in space was noted, and its relationship with the nerve fibre radius ranging from 5µm to 12µm was analyzed. It was interesting to note that there were no overlaps between the arrival time for action potentials traversing the demyelinated and normally myelinated nerve fibres even when a single internode of the nerve fibre was demyelinated. The study gave us an opportunity to design DC pulses whose frequency of application would be a function of the random demyelination pattern to block only the delayed tremor-causing action potentials. The DC pulses could be delivered to the peripheral nervous system non-invasively by an electrode bracelet that would suppress any shakiness beyond it thus paving the way for wearable neuro-rehabilitative technologies.

Keywords: demyelination, Hodgkin-Huxley model, non-invasive electrical stimulation, tremor

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5235 A Timed and Colored Petri Nets for Modeling and Verify Cloud System Elasticity

Authors: Walid Louhichi, Mouhebeddine Berrima, Narjes Ben Rajed

Abstract:

Elasticity is the essential property of cloud computing. As the name suggests, it constitutes the ability of a cloud system to adjust resource provisioning in relation to fluctuating workload. There are two types of elasticity operations, vertical and horizontal. In this work, we are interested in horizontal scaling, which is ensured by two mechanisms; scaling in and scaling out. Following the sizing of the system, we can adopt scaling in in the event of over-supply and scaling out in the event of under-supply. In this paper, we propose a formal model, based on colored and temporized Petri nets, for the modeling of the duplication and the removal of a virtual machine from a server. This model is based on formal Petri Nets modeling language. The proposed models are edited, verified, and simulated with two examples implemented in CPNtools, which is a modeling tool for colored and timed Petri nets.

Keywords: cloud computing, elasticity, elasticity controller, petri nets, scaling in, scaling out

Procedia PDF Downloads 124
5234 Aerodynamic Analysis by Computational Fluids Dynamics in Building: Case Study

Authors: Javier Navarro Garcia, Narciso Vazquez Carretero

Abstract:

Eurocode 1, part 1-4, wind actions, includes in its article 1.5 the possibility of using numerical calculation methods to obtain information on the loads acting on a building. On the other hand, the analysis using computational fluids dynamics (CFD) in aerospace, aeronautical, and industrial applications is already in widespread use. The application of techniques based on CFD analysis on the building to study its aerodynamic behavior now opens a whole alternative field of possibilities for civil engineering and architecture; optimization of the results with respect to those obtained by applying the regulations, the possibility of obtaining information on pressures, speeds at any point of the model for each moment, the analysis of turbulence and the possibility of modeling any geometry or configuration. The present work compares the results obtained on a building, with respect to its aerodynamic behavior, from a mathematical model based on the analysis by CFD with the results obtained by applying Eurocode1, part1-4, wind actions. It is verified that the results obtained by CFD techniques suppose an optimization of the wind action that acts on the building with respect to the wind action obtained by applying the Eurocode1, part 1-4, wind actions. In order to carry out this verification, a 45m high square base truncated pyramid building has been taken. The mathematical model on CFD, based on finite volumes, has been calculated using the FLUENT commercial computer application using a scale-resolving simulation (SRS) type large eddy simulation (LES) turbulence model for an atmospheric boundary layer wind with turbulent component in the direction of the flow.

Keywords: aerodynamic, CFD, computacional fluids dynamics, computational mechanics

Procedia PDF Downloads 116