Search results for: modeling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3758

Search results for: modeling

3578 Micro Grids, Solution to Power Off-Grid Areas in Pakistan

Authors: M. Naveed Iqbal, Sheza Fatima, Noman Shabbir

Abstract:

In the presence of energy crisis in Pakistan, off-grid remote areas are not on priority list. The use of new large scale coal fired power plants will also make this situation worst. Therefore, the greatest challenge in our society is to explore new ways to power off grid remote areas with renewable energy sources. It is time for a sustainable energy policy which puts consumers, the environment, human health, and peace first. The renewable energy is one of the biggest growing sectors of the energy industry. Therefore, the large scale use of micro grid is thus described here with modeling, simulation, planning and operating of the micro grid. The goal of this research paper is to go into detail of a library of major components of micro grid. The introduction will go through the detail view of micro grid definition. Then, the simulation of Micro Grid in MATLAB/ Simulink including the Photo Voltaic Cell will be described with the detailed modeling. The simulation with the design and modeling will be introduced too.

Keywords: micro grids, distribution generation, PV, off-grid operations

Procedia PDF Downloads 269
3577 Petri Net Modeling and Simulation of a Call-Taxi System

Authors: T. Godwin

Abstract:

A call-taxi system is a type of taxi service where a taxi could be requested through a phone call or mobile app. A schematic functioning of a call-taxi system is modeled using Petri net, which provides the necessary conditions for a taxi to be assigned by a dispatcher to pick a customer as well as the conditions for the taxi to be released by the customer. A Petri net is a graphical modeling tool used to understand sequences, concurrences, and confluences of activities in the working of discrete event systems. It uses tokens on a directed bipartite multi-graph to simulate the activities of a system. The Petri net model is translated into a simulation model and a call-taxi system is simulated. The simulation model helps in evaluating the operation of a call-taxi system based on the fleet size as well as the operating policies for call-taxi assignment and empty call-taxi repositioning. The developed Petri net based simulation model can be used to decide the fleet size as well as the call-taxi assignment policies for a call-taxi system.

Keywords: call-taxi, discrete event system, petri net, simulation modeling

Procedia PDF Downloads 388
3576 Finite Element Modeling Techniques of Concrete in Steel and Concrete Composite Members

Authors: J. Bartus, J. Odrobinak

Abstract:

The paper presents a nonlinear analysis 3D model of composite steel and concrete beams with web openings using the Finite Element Method (FEM). The core of the study is the introduction of basic modeling techniques comprehending the description of material behavior, appropriate elements selection, and recommendations for overcoming problems with convergence. Results from various finite element models are compared in the study. The main objective is to observe the concrete failure mechanism and its influence on the structural performance of numerical models of the beams at particular load stages. The bearing capacity of beams, corresponding deformations, stresses, strains, and fracture patterns were determined. The results show how load-bearing elements consisting of concrete parts can be analyzed using FEM software with various options to create the most suitable numerical model. The paper demonstrates the versatility of Ansys software usage for structural simulations.

Keywords: Ansys, concrete, modeling, steel

Procedia PDF Downloads 89
3575 Advancements in Mathematical Modeling and Optimization for Control, Signal Processing, and Energy Systems

Authors: Zahid Ullah, Atlas Khan

Abstract:

This abstract focuses on the advancements in mathematical modeling and optimization techniques that play a crucial role in enhancing the efficiency, reliability, and performance of these systems. In this era of rapidly evolving technology, mathematical modeling and optimization offer powerful tools to tackle the complex challenges faced by control, signal processing, and energy systems. This abstract presents the latest research and developments in mathematical methodologies, encompassing areas such as control theory, system identification, signal processing algorithms, and energy optimization. The abstract highlights the interdisciplinary nature of mathematical modeling and optimization, showcasing their applications in a wide range of domains, including power systems, communication networks, industrial automation, and renewable energy. It explores key mathematical techniques, such as linear and nonlinear programming, convex optimization, stochastic modeling, and numerical algorithms, that enable the design, analysis, and optimization of complex control and signal processing systems. Furthermore, the abstract emphasizes the importance of addressing real-world challenges in control, signal processing, and energy systems through innovative mathematical approaches. It discusses the integration of mathematical models with data-driven approaches, machine learning, and artificial intelligence to enhance system performance, adaptability, and decision-making capabilities. The abstract also underscores the significance of bridging the gap between theoretical advancements and practical applications. It recognizes the need for practical implementation of mathematical models and optimization algorithms in real-world systems, considering factors such as scalability, computational efficiency, and robustness. In summary, this abstract showcases the advancements in mathematical modeling and optimization techniques for control, signal processing, and energy systems. It highlights the interdisciplinary nature of these techniques, their applications across various domains, and their potential to address real-world challenges. The abstract emphasizes the importance of practical implementation and integration with emerging technologies to drive innovation and improve the performance of control, signal processing, and energy.

Keywords: mathematical modeling, optimization, control systems, signal processing, energy systems, interdisciplinary applications, system identification, numerical algorithms

Procedia PDF Downloads 68
3574 Predicting Stack Overflow Accepted Answers Using Features and Models with Varying Degrees of Complexity

Authors: Osayande Pascal Omondiagbe, Sherlock a Licorish

Abstract:

Stack Overflow is a popular community question and answer portal which is used by practitioners to solve technology-related challenges during software development. Previous studies have shown that this forum is becoming a substitute for official software programming languages documentation. While tools have looked to aid developers by presenting interfaces to explore Stack Overflow, developers often face challenges searching through many possible answers to their questions, and this extends the development time. To this end, researchers have provided ways of predicting acceptable Stack Overflow answers by using various modeling techniques. However, less interest is dedicated to examining the performance and quality of typically used modeling methods, and especially in relation to models’ and features’ complexity. Such insights could be of practical significance to the many practitioners that use Stack Overflow. This study examines the performance and quality of various modeling methods that are used for predicting acceptable answers on Stack Overflow, drawn from 2014, 2015 and 2016. Our findings reveal significant differences in models’ performance and quality given the type of features and complexity of models used. Researchers examining classifiers’ performance and quality and features’ complexity may leverage these findings in selecting suitable techniques when developing prediction models.

Keywords: feature selection, modeling and prediction, neural network, random forest, stack overflow

Procedia PDF Downloads 99
3573 Modeling Continuous Flow in a Curved Channel Using Smoothed Particle Hydrodynamics

Authors: Indri Mahadiraka Rumamby, R. R. Dwinanti Rika Marthanty, Jessica Sjah

Abstract:

Smoothed particle hydrodynamics (SPH) was originally created to simulate nonaxisymmetric phenomena in astrophysics. However, this method still has several shortcomings, namely the high computational cost required to model values with high resolution and problems with boundary conditions. The difficulty of modeling boundary conditions occurs because the SPH method is influenced by particle deficiency due to the integral of the kernel function being truncated by boundary conditions. This research aims to answer if SPH modeling with a focus on boundary layer interactions and continuous flow can produce quantifiably accurate values with low computational cost. This research will combine algorithms and coding in the main program of meandering river, continuous flow algorithm, and solid-fluid algorithm with the aim of obtaining quantitatively accurate results on solid-fluid interactions with the continuous flow on a meandering channel using the SPH method. This study uses the Fortran programming language for modeling the SPH (Smoothed Particle Hydrodynamics) numerical method; the model is conducted in the form of a U-shaped meandering open channel in 3D, where the channel walls are soil particles and uses a continuous flow with a limited number of particles.

Keywords: smoothed particle hydrodynamics, computational fluid dynamics, numerical simulation, fluid mechanics

Procedia PDF Downloads 77
3572 Handling Complexity of a Complex System Design: Paradigm, Formalism and Transformations

Authors: Hycham Aboutaleb, Bruno Monsuez

Abstract:

Current systems' complexity has reached a degree that requires addressing conception and design issues while taking into account environmental, operational, social, legal, and financial aspects. Therefore, one of the main challenges is the way complex systems are specified and designed. The exponentially growing effort, cost, and time investment of complex systems in modeling phase emphasize the need for a paradigm, a framework, and an environment to handle the system model complexity. For that, it is necessary to understand the expectations of the human user of the model and his limits. This paper presents a generic framework for designing complex systems, highlights the requirements a system model needs to fulfill to meet human user expectations, and suggests a graph-based formalism for modeling complex systems. Finally, a set of transformations are defined to handle the model complexity.

Keywords: higraph-based, formalism, system engineering paradigm, modeling requirements, graph-based transformations

Procedia PDF Downloads 361
3571 Hypergraph for System of Systems modeling

Authors: Haffaf Hafid

Abstract:

Hypergraphs, after being used to model the structural organization of System of Sytems (SoS) at macroscopic level, has recent trends towards generalizing this powerful representation at different stages of complex system modelling. In this paper, we first describe different applications of hypergraph theory, and step by step, introduce multilevel modeling of SoS by means of integrating Constraint Programming Langages (CSP) dealing with engineering system reconfiguration strategy. As an application, we give an A.C.T Terminal controlled by a set of Intelligent Automated Vehicle.

Keywords: hypergraph model, structural analysis, bipartite graph, monitoring, system of systems, reconfiguration analysis, hypernetwork

Procedia PDF Downloads 449
3570 A Novel Algorithm for Parsing IFC Models

Authors: Raninder Kaur Dhillon, Mayur Jethwa, Hardeep Singh Rai

Abstract:

Information technology has made a pivotal progress across disparate disciplines, one of which is AEC (Architecture, Engineering and Construction) industry. CAD is a form of computer-aided building modulation that architects, engineers and contractors use to create and view two- and three-dimensional models. The AEC industry also uses building information modeling (BIM), a newer computerized modeling system that can create four-dimensional models; this software can greatly increase productivity in the AEC industry. BIM models generate open source IFC (Industry Foundation Classes) files which aim for interoperability for exchanging information throughout the project lifecycle among various disciplines. The methods developed in previous studies require either an IFC schema or MVD and software applications, such as an IFC model server or a Building Information Modeling (BIM) authoring tool, to extract a partial or complete IFC instance model. This paper proposes an efficient algorithm for extracting a partial and total model from an Industry Foundation Classes (IFC) instance model without an IFC schema or a complete IFC model view definition (MVD).

Keywords: BIM, CAD, IFC, MVD

Procedia PDF Downloads 257
3569 Hominin Niche in the Times of Climate Change

Authors: Emilia Hunt, Sally C. Reynolds, Fiona Coward, Fabio Parracho Silva, Philip Hopley

Abstract:

Ecological niche modeling is widely used in conservation studies, but application to the extinct hominin species is a relatively new approach. Being able to understand what ecological niches were occupied by respective hominin species provides a new perspective into influences on evolutionary processes. Niche separation or overlap can tell us more about specific requirements of the species within the given timeframe. Many of the ancestral species lived through enormous climate changes: glacial and interglacial periods, changes in rainfall, leading to desertification or flooding of regions and displayed impressive levels of adaptation necessary for their survival. This paper reviews niche modeling methodologies and their application to hominin studies. Traditional conservation methods might not be directly applicable to extinct species and are not comparable to hominins. Hominin niche also includes aspects of technologies, use of fire and extended communication, which are not traditionally used in building conservation models. Future perspectives on how to improve niche modeling for extinct hominin species will be discussed.

Keywords: hominin niche, climate change, evolution, adaptation, ecological niche modelling

Procedia PDF Downloads 153
3568 Assessing the Impact of Urbanization on Flood Risk: A Case Study

Authors: Talha Ahmed, Ishtiaq Hassan

Abstract:

Urban areas or metropolitan is portrayed by the very high density of population due to the result of these economic activities. Some critical elements, such as urban expansion and climate change, are driving changes in cities with exposure to the incidence and impacts of pluvial floods. Urban communities are recurrently developed by huge spaces by which water cannot enter impermeable surfaces, such as man-made permanent surfaces and structures, which do not cause the phenomena of infiltration and percolation. Urban sprawl can result in increased run-off volumes, flood stage and flood extents during heavy rainy seasons. The flood risks require a thorough examination of all aspects affecting to severe an event in order to accurately estimate their impacts and other risk factors associated with them. For risk evaluation and its impact due to urbanization, an integrated hydrological modeling approach is used on the study area in Islamabad (Pakistan), focusing on a natural water body that has been adopted in this research. The vulnerability of the physical elements at risk in the research region is analyzed using GIS and SOBEK. The supervised classification of land use containing the images from 1980 to 2020 is used. The modeling of DEM with selected return period is used for modeling a hydrodynamic model for flood event inundation. The selected return periods are 50,75 and 100 years which are used in flood modeling. The findings of this study provided useful information on high-risk places and at-risk properties.

Keywords: urbanization, flood, flood risk, GIS

Procedia PDF Downloads 138
3567 Analytical Modeling of Equivalent Magnetic Circuit in Multi-segment and Multi-barrier Synchronous Reluctance Motor

Authors: Huai-Cong Liu,Tae Chul Jeong,Ju Lee

Abstract:

This paper describes characteristic analysis of a synchronous reluctance motor (SynRM)’s rotor with the Multi-segment and Multi-layer structure. The magnetic-saturation phenomenon in SynRM is often appeared. Therefore, when modeling analysis of SynRM the calculation of nonlinear magnetic field needs to be considered. An important influence factor on the convergence process is how to determine the relative permeability. An improved method, which ensures the calculation, is convergence by linear iterative method for saturated magnetic field. If there are inflection points on the magnetic curve,an optimum convergence method of solution for nonlinear magnetic field was provided. Then the equivalent magnetic circuit is calculated, and d,q-axis inductance can be got. At last, this process is applied to design a 7.5Kw SynRM and its validity is verified by comparing with the result of finite element method (FEM) and experimental test data.

Keywords: SynRM, magnetic-saturation, magnetic circuit, analytical modeling

Procedia PDF Downloads 463
3566 A Domain Specific Modeling Language Semantic Model for Artefact Orientation

Authors: Bunakiye R. Japheth, Ogude U. Cyril

Abstract:

Since the process of transforming user requirements to modeling constructs are not very well supported by domain-specific frameworks, it became necessary to integrate domain requirements with the specific architectures to achieve an integrated customizable solutions space via artifact orientation. Domain-specific modeling language specifications of model-driven engineering technologies focus more on requirements within a particular domain, which can be tailored to aid the domain expert in expressing domain concepts effectively. Modeling processes through domain-specific language formalisms are highly volatile due to dependencies on domain concepts or used process models. A capable solution is given by artifact orientation that stresses on the results rather than expressing a strict dependence on complicated platforms for model creation and development. Based on this premise, domain-specific methods for producing artifacts without having to take into account the complexity and variability of platforms for model definitions can be integrated to support customizable development. In this paper, we discuss methods for the integration capabilities and necessities within a common structure and semantics that contribute a metamodel for artifact-orientation, which leads to a reusable software layer with concrete syntax capable of determining design intents from domain expert. These concepts forming the language formalism are established from models explained within the oil and gas pipelines industry.

Keywords: control process, metrics of engineering, structured abstraction, semantic model

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3565 Conceptual Model of a Residential Waste Collection System Using ARENA Software

Authors: Bruce G. Wilson

Abstract:

The collection of municipal solid waste at the curbside is a complex operation that is repeated daily under varying circumstances around the world. There have been several attempts to develop Monte Carlo simulation models of the waste collection process dating back almost 50 years. Despite this long history, the use of simulation modeling as a planning or optimization tool for waste collection is still extremely limited in practice. Historically, simulation modeling of waste collection systems has been hampered by the limitations of computer hardware and software and by the availability of representative input data. This paper outlines the development of a Monte Carlo simulation model that overcomes many of the limitations contained in previous models. The model uses a general purpose simulation software program that is easily capable of modeling an entire waste collection network. The model treats the stops on a waste collection route as a queue of work to be processed by a collection vehicle (or server). Input data can be collected from a variety of sources including municipal geographic information systems, global positioning system recorders on collection vehicles, and weigh scales at transfer stations or treatment facilities. The result is a flexible model that is sufficiently robust that it can model the collection activities in a large municipality, while providing the flexibility to adapt to changing conditions on the collection route.

Keywords: modeling, queues, residential waste collection, Monte Carlo simulation

Procedia PDF Downloads 365
3564 Outdoor Visible Light Communication Channel Modeling under Fog and Smoke Conditions

Authors: Véronique Georlette, Sebastien Bette, Sylvain Brohez, Nicolas Point, Veronique Moeyaert

Abstract:

Visible light communication (VLC) is a communication technology that is part of the optical wireless communication (OWC) family. It uses the visible and infrared spectrums to send data. For now, this technology has widely been studied for indoor use-cases, but it is sufficiently mature nowadays to consider the outdoor environment potentials. The main outdoor challenges are the meteorological conditions and the presence of smoke due to fire or pollutants in urban areas. This paper proposes a methodology to assess the robustness of an outdoor VLC system given the outdoor conditions. This methodology is put into practice in two realistic scenarios, a VLC bus stop, and a VLC streetlight. The methodology consists of computing the power margin available in the system, given all the characteristics of the VLC system and its surroundings. This is done thanks to an outdoor VLC communication channel simulator developed in Python. This simulator is able to quantify the effects of fog and smoke thanks to models taken from environmental and fire engineering scientific literature as well as the optical power reaching the receiver. These two phenomena impact the communication by increasing the total attenuation of the medium. The main conclusion drawn in this paper is that the levels of attenuation due to fog and smoke are in the same order of magnitude. The attenuation of fog being the highest under the visibility of 1 km. This gives a promising prospect for the deployment of outdoor VLC uses-cases in the near future.

Keywords: channel modeling, fog modeling, meteorological conditions, optical wireless communication, smoke modeling, visible light communication

Procedia PDF Downloads 111
3563 Effect of Plasticizer Additives on the Mechanical Properties of Cement Composite: A Molecular Dynamics Analysis

Authors: R. Mohan, V. Jadhav, A. Ahmed, J. Rivas, A. Kelkar

Abstract:

Cementitious materials are an excellent example of a composite material with complex hierarchical features and random features that range from nanometer (nm) to millimeter (mm) scale. Multi-scale modeling of complex material systems requires starting from fundamental building blocks to capture the scale relevant features through associated computational models. In this paper, molecular dynamics (MD) modeling is employed to predict the effect of plasticizer additive on the mechanical properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown molecular configuration of CSH, a representative configuration widely accepted in the field of mineral Jennite is employed. The effectiveness of the Molecular Dynamics modeling to understand the predictive influence of material chemistry changes based on molecular/nanoscale models is demonstrated.

Keywords: cement composite, mechanical properties, molecular dynamics, plasticizer additives

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3562 The Influence of Contact Models on Discrete Element Modeling of the Ballast Layer Subjected to Cyclic Loading

Authors: Peyman Aela, Lu Zong, Guoqing Jing

Abstract:

Recently, there has been growing interest in numerical modeling of ballast railway tracks. A commonly used mechanistic modeling approach for ballast is the discrete element method (DEM). Up to now, the effects of the contact model on ballast particle behavior have not been precisely examined. In this regard, selecting the appropriate contact model is mainly associated with the particle characteristics and the loading condition. Since ballast is cohesionless material, different contact models, including the linear spring, Hertz-Mindlin, and Hysteretic models, could be used to calculate particle-particle or wall-particle contact forces. Moreover, the simulation of a dynamic test is vital to investigate the effect of damping parameters on the ballast deformation. In this study, ballast box tests were simulated by DEM to examine the influence of different contact models on the mechanical behavior of the ballast layer under cyclic loading. This paper shows how the contact model can affect the deformation and damping of a ballast layer subjected to cyclic loading in a ballast box.

Keywords: ballast, contact model, cyclic loading, DEM

Procedia PDF Downloads 142
3561 Knowledge Representation and Inconsistency Reasoning of Class Diagram Maintenance in Big Data

Authors: Chi-Lun Liu

Abstract:

Requirements modeling and analysis are important in successful information systems' maintenance. Unified Modeling Language (UML) class diagrams are useful standards for modeling information systems. To our best knowledge, there is a lack of a systems development methodology described by the organism metaphor. The core concept of this metaphor is adaptation. Using the knowledge representation and reasoning approach and ontologies to adopt new requirements are emergent in recent years. This paper proposes an organic methodology which is based on constructivism theory. This methodology is a knowledge representation and reasoning approach to analyze new requirements in the class diagrams maintenance. The process and rules in the proposed methodology automatically analyze inconsistencies in the class diagram. In the big data era, developing an automatic tool based on the proposed methodology to analyze large amounts of class diagram data is an important research topic in the future.

Keywords: knowledge representation, reasoning, ontology, class diagram, software engineering

Procedia PDF Downloads 201
3560 Comparative Analysis of 3-Story Residential Design for a Passive Low Environmental Impact House and Conventional House Using Energy Modeling and Life Cycle Assessment: Case Study Caja PH

Authors: Hanan Wehbi, Tahar Messadi

Abstract:

The increasing demand for energy, and growing concerns for the environment, have led to a greater focus on building energy efficiency and sustainability. Energy modeling and life cycle assessment (LCA) have become essential tools for evaluating building environmental impact and energy performance. This study utilizes Building Information Modeling (BIM) integrated with Energy simulation and LCA, combining two simulation tools, Energy Plus, and Tally, in conjunction with the Revit platform to analyze energy performance during the operational stage and estimate embodied-environmental impacts of a new, low environmental impact house, the Caja PH. The research aims to evaluate energy performance improvements for 3 houses, each with a respective material envelope tested and embodied carbon impacts assessed. The scope of this study will begin with the modeling of a conventional house as the baseline for energy use and embodied carbon emission. The baseline will then be compared to 1) Caja PH, a three-story residential Passive House which is currently under construction, and 2) the modified baseline house to comply with the HERS rating and ASHRAE 90.1 standards. All three houses are tested under the same climatic region. In the end, this work, which is comprised of many phases, serves as a pilot study that will pave the way for the design and construction development of a net zero energy and net zero emission prototypical house in the adopted climate region. The ultimate aim is to offer a blueprint of guidelines for the sustainable design of future residential buildings.

Keywords: energy modeling, sustainable buildings, energy efficiency, life cycle assessment, GHG emission, NZE construction, passive house, residential buildings

Procedia PDF Downloads 57
3559 Object Oriented Software Engineering Approach to Industrial Information System Design and Implementation

Authors: Issa Hussein Manita

Abstract:

This paper presents an example of industrial information system design and implementation (IIDC), the most common software engineering design steps that are applied to the different design stages. We are going through the life cycle of software system development. We start by a study of system requirement and end with testing and delivering system, going by system design and coding, program integration and system integration step. The most modern software design tools available used in the design this includes, but not limited to, Unified Modeling Language (UML), system modeling, SQL server side application, uses case analysis, design and testing as applied to information processing systems. The system is designed to perform tasks specified by the client with real data. By the end of the implementation of the system, default or user defined acceptance policy to provide an overall score as an indication of the system performance is used. To test the reliability of he designed system, it is tested in different environment and different work burden such as multi-user environment.

Keywords: software engineering, design, system requirement, integration, unified modeling language

Procedia PDF Downloads 534
3558 Modeling of a Concentrating Photovoltaic Module with and without Cooling System

Authors: Intissar Benrhouma, Marta Victoria, Ignacio Anton, Bechir Chaouachi

Abstract:

Concentrating photovoltaic systems CPV use optical elements, such as Fresnel lenses, to concentrate solar intensity. The concentrated solar energy is delivered to the solar cell from 20 to 100 W/cm². Some of this energy is converted to electricity, while the rest must be disposed of as a residual heat. Solar cells cooling should be a necessary part of CPV modeling because these systems allowed increasing the power received by the cell. This high power can rise the electrons’ potential causing the heating of the cell, which reduces the global module’s efficiency. This work consists of modeling a concentrating photovoltaic module with and without a cooling system. We have established a theoretical model based on energy balances carried out on a photovoltaic module using solar radiation concentration cells. Subsequently, we developed a calculation program on Matlab which allowed us to simulate the functioning of this module. The obtained results show that the addition of a cooling system to the module improves greatly the performance of our CPV system.

Keywords: solar energy, photovoltaic, concentration, cooling, performance improvement

Procedia PDF Downloads 365
3557 Finite Element Method as a Solution Procedure for Problems in Tissue Biomechanics

Authors: Momoh Omeiza Sheidu

Abstract:

Finite element method as a method of providing solutions to problems in computational bio mechanics provides a framework for modeling the function of tissues that integrates structurally from cell to organ system and functionally across the physiological processes that affect tissue mechanics or are regulated by mechanical forces. In this paper, we present an integrative finite element strategy for solution to problems in tissue bio mechanics as a case study.

Keywords: finite element, biomechanics, modeling, computational biomechanics

Procedia PDF Downloads 459
3556 Quantitative Structure-Property Relationship Study of Base Dissociation Constants of Some Benzimidazoles

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

Abstract:

Benzimidazoles are a group of compounds with significant antibacterial, antifungal and anticancer activity. The studied compounds consist of the main benzimidazole structure with different combinations of substituens. This study is based on the two-dimensional and three-dimensional molecular modeling and calculation of molecular descriptors (physicochemical and lipophilicity descriptors) of structurally diverse benzimidazoles. Molecular modeling was carried out by using ChemBio3D Ultra version 14.0 software. The obtained 3D models were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. The obtained set of molecular descriptors was used in principal component analysis (PCA) of possible similarities and dissimilarities among the studied derivatives. After the molecular modeling, the quantitative structure-property relationship (QSPR) analysis was applied in order to get the mathematical models which can be used in prediction of pKb values of structurally similar benzimidazoles. The obtained models are based on statistically valid multiple linear regression (MLR) equations. The calculated cross-validation parameters indicate the high prediction ability of the established QSPR models. This study is financially supported by COST action CM1306 and the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina.

Keywords: benzimidazoles, chemometrics, molecular modeling, molecular descriptors, QSPR

Procedia PDF Downloads 245
3555 Numerical Modeling of Air Pollution with PM-Particles and Dust

Authors: N. Gigauri, A. Surmava, L. Intskirveli, V. Kukhalashvili, S. Mdivani

Abstract:

The subject of our study is atmospheric air pollution with numerical modeling. In the presented article, as the object of research, there is chosen city Tbilisi, the capital of Georgia, with a population of one and a half million and a difficult terrain. The main source of pollution in Tbilisi is currently vehicles and construction dust. The concentrations of dust and PM (Particulate Matter) were determined in the air of Tbilisi and in its vicinity. There are estimated their monthly maximum, minimum, and average concentrations. Processes of dust propagation in the atmosphere of the city and its surrounding territory are modelled using a 3D regional model of atmospheric processes and an admixture transfer-diffusion equation. There were taken figures of distribution of the polluted cloud and dust concentrations in different areas of the city at different heights and at different time intervals with the background stationary westward and eastward wind. It is accepted that the difficult terrain and mountain-bar circulation affect the deformation of the cloud and its spread, there are determined time periods when the dust concentration in the city is greater than MAC (Maximum Allowable Concentration, MAC=0.5 mg/m³).

Keywords: air pollution, dust, numerical modeling, PM-particles

Procedia PDF Downloads 102
3554 Modeling and Prediction of Hot Deformation Behavior of IN718

Authors: M. Azarbarmas, J. M. Cabrera, J. Calvo, M. Aghaie-Khafri

Abstract:

The modeling of hot deformation behavior for unseen conditions is important in metal-forming. In this study, the hot deformation of IN718 has been characterized in the temperature range 950-1100 and strain rate range 0.001-0.1 s-1 using hot compression tests. All stress-strain curves showed the occurrence of dynamic recrystallization. These curves were implemented quantitatively in mathematics, and then constitutive equation indicating the relationship between the flow stress and hot deformation parameters was obtained successfully.

Keywords: compression test, constitutive equation, dynamic recrystallization, hot working

Procedia PDF Downloads 388
3553 Computational Material Modeling for Mechanical Properties Prediction of Nanoscale Carbon Based Cementitious Materials

Authors: Maryam Kiani, Abdul Basit Kiani

Abstract:

At larger scales, the performance of cementitious materials is impacted by processes occurring at the nanometer scale. These materials boast intricate hierarchical structures with random features that span from the nanometer to millimeter scale. It is fascinating to observe how the nanoscale processes influence the overall behavior and characteristics of these materials. By delving into and manipulating these processes, scientists and engineers can unlock the potential to create more durable and sustainable infrastructure and construction materials. It's like unraveling a hidden tapestry of secrets that hold the key to building stronger and more resilient structures. The present work employs simulations as the computational modeling methodology to predict mechanical properties for carbon/silica based cementitious materials at the molecular/nano scale level. Studies focused on understanding the effect of higher mechanical properties of cementitious materials with carbon silica nanoparticles via Material Studio materials modeling.

Keywords: nanomaterials, SiO₂, carbon black, mechanical properties

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3552 Molecular Modeling a Tool for Postulating the Mechanism of Drug Interaction: Glimepiride Alters the Pharmacokinetics of Sildenafil Citrate in Diabetic Nephropathy Animals

Authors: Alok Shiomurti Tripathi, Ajay Kumar Timiri, Papiya Mitra Mazumder, Anil Chandewar

Abstract:

The present study evaluates the possible drug interaction between glimepiride (GLIM) and sildenafil citrate (SIL) in streptozotocin (STZ) induced in diabetic nephropathic (DN) animals and also postulates the possible mechanism of interaction by molecular modeling studies. Diabetic nephropathy was induced by single dose of STZ (60 mg/kg, ip) and confirms it by assessing the blood and urine biochemical parameters on 28th day of its induction. Selected DN animals were used for the drug interaction between GLIM (0.5mg/kg, p.o.) and SIL (2.5 mg/kg, p.o.) after 29th and 70th day of protocol. Drug interaction were assessed by evaluating the plasma drug concentration using HPLC-UV and also determine the change in the biochemical parameter in blood and urine. Mechanism of the interaction was postulated by molecular modeling study using Maestro module of Schrodinger software. DN was confirmed as there was significant alteration in the blood and urine biochemical parameter in STZ treated groups. The concentration of SIL increased significantly (p<0.001) in rat plasma when co administered with GLIM after 70th day of protocol. Molecular modelling study revealed few important interactions with rat serum albumin and CYP2C9.GLIM has strong hydrophobic interaction with binding site residues of rat serum albumin compared to SIL. Whereas, for CYP2C9, GLIM has strong hydrogen bond with polar contacts and hydrophobic interactions than SIL. Present study concludes that bioavailability of SIL increases when co-administered chronically with GLIM in the management of DN animals and mechanism has been supported by molecular modeling studies.

Keywords: diabetic nephropathy, glimepiride, sildenafil citrate, pharmacokinetics, homology modeling, schrodinger

Procedia PDF Downloads 332
3551 Modeling and Simulation Frameworks for Cloud Computing Environment: A Critical Evaluation

Authors: Abul Bashar

Abstract:

The recent surge in the adoption of cloud computing systems by various organizations has brought forth the challenge of evaluating their performance. One of the major issues faced by the cloud service providers and customers is to assess the ability of cloud computing systems to provide the desired services in accordance to the QoS and SLA constraints. To this end, an opportunity exists to develop means to ensure that the desired performance levels of such systems are met under simulated environments. This will eventually minimize the service disruptions and performance degradation issues during the commissioning and operational phase of cloud computing infrastructure. However, it is observed that several simulators and modelers are available for simulating the cloud computing systems. Therefore, this paper presents a critical evaluation of the state-of-the-art modeling and simulation frameworks applicable to cloud computing systems. It compares the prominent simulation frameworks in terms of the API features, programming flexibility, operating system requirements, supported services, licensing needs and popularity. Subsequently, it provides recommendations regarding the choice of the most appropriate framework for researchers, administrators and managers of cloud computing systems.

Keywords: cloud computing, modeling framework, performance evaluation, simulation tools

Procedia PDF Downloads 445
3550 Modeling of Building a Conceptual Scheme for Multimodal Freight Transportation Information System

Authors: Gia Surguladze, Nino Topuria, Lily Petriashvili, Giorgi Surguladze

Abstract:

Modeling of building processes of a multimodal freight transportation support information system is discussed based on modern CASE technologies. Functional efficiencies of ports in the eastern part of the Black Sea are analyzed taking into account their ecological, seasonal, resource usage parameters. By resources, we mean capacities of berths, cranes, automotive transport, as well as work crews and neighbouring airports. For the purpose of designing database of computer support system for Managerial (Logistics) function, using Object-Role Modeling (ORM) tool (NORMA – Natural ORM Architecture) is proposed, after which Entity Relationship Model (ERM) is generated in automated process. The software is developed based on Process-Oriented and Service-Oriented architecture, in Visual Studio.NET environment.

Keywords: seaport resources, business-processes, multimodal transportation, CASE technology, object-role model, entity relationship model, SOA

Procedia PDF Downloads 385
3549 Transportation Accidents Mortality Modeling in Thailand

Authors: W. Sriwattanapongse, S. Prasitwattanaseree, S. Wongtrangan

Abstract:

The transportation accidents mortality is a major problem that leads to loss of human lives, and economic. The objective was to identify patterns of statistical modeling for estimating mortality rates due to transportation accidents in Thailand by using data from 2000 to 2009. The data was taken from the death certificate, vital registration database. The number of deaths and mortality rates were computed classifying by gender, age, year and region. There were 114,790 cases of transportation accidents deaths. The highest average age-specific transport accident mortality rate is 3.11 per 100,000 per year in males, Southern region and the lowest average age-specific transport accident mortality rate is 1.79 per 100,000 per year in females, North-East region. Linear, poisson and negative binomial models were chosen for fitting statistical model. Among the models fitted, the best was chosen based on the analysis of deviance and AIC. The negative binomial model was clearly appropriate fitted.

Keywords: transportation accidents, mortality, modeling, analysis of deviance

Procedia PDF Downloads 204