Search results for: non-linear dynamics
3495 Surface Characterization and Femtosecond-Nanosecond Transient Absorption Dynamics of Bioconjugated Gold Nanoparticles: Insight into the Warfarin Drug-Binding Site of Human Serum Albumin
Authors: Osama K. Abou-Zied, Saba A. Sulaiman
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We studied the spectroscopy of 25-nm diameter gold nanoparticles (AuNPs), coated with human serum albumin (HSA) as a model drug carrier. The morphology and coating of the AuNPs were examined using transmission electron microscopy and dynamic light scattering. Resonance energy transfer from the sole tryptophan of HSA (Trp214) to the AuNPs was observed in which the fluorescence quenching of Trp214 is dominated by a static mechanism. Using fluorescein (FL) to probe the warfarin drug-binding site in HSA revealed the unchanged nature of the binding cavity on the surface of the AuNPs, indicating the stability of the protein structure on the metal surface. The transient absorption results of the surface plasmonic resonance (SPR) band of the AuNPs show three ultrafast dynamics that are involved in the relaxation process after excitation at 460 nm. The three decay components were assigned to the electron-electron (~ 400 fs), electron-phonon (~ 2.0 ps) and phonon-phonon (200–250 ps) interactions. These dynamics were not changed upon coating the AuNPs with HSA which indicates the chemical and physical stability of the AuNPs upon bioconjugation. Binding of FL in HSA did not have any measurable effect on the bleach recovery dynamics of the SPR band, although both FL and AuNPs were excited at 460 nm. The current study is important for a better understanding of the physical and dynamical properties of protein-coated metal nanoparticles which are expected to help in optimizing their properties for critical applications in nanomedicine.Keywords: gold nanoparticles, human serum albumin, fluorescein, femtosecond transient absorption
Procedia PDF Downloads 3333494 Using Computational Fluid Dynamics to Model and Design a Preventative Application for Strong Wind
Authors: Ming-Hwi Yao, Su-Szu Yang
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Typhoons are one of the major types of disasters that affect Taiwan each year and that cause severe damage to agriculture. Indeed, the damage exacted during a typical typhoon season can be up to $1 billion, and is responsible for nearly 75% of yearly agricultural losses. However, there is no consensus on how to reduce the damage caused by the strong winds and heavy precipitation engendered by typhoons. One suggestion is the use of windbreak nets, which are a low-cost and easy-to-use disaster mitigation strategy for crop production. In the present study, we conducted an evaluation to determine the optimal conditions of a windbreak net by using a computational fluid dynamics (CFD) model. This model may be used as a reference for crop protection. The results showed that CFD simulation validated windbreak nets of different mesh sizes and heights in the experimental area; thus, CFD is an efficient tool for evaluating the effectiveness of windbreak nets. Specifically, the effective wind protection length and height were found to be 6 and 1.3 times the length and height of the windbreak net, respectively. During a real typhoon, maximum wind gusts of 18 m s-1 can be reduced to 4 m s-1 by using a windbreak net that has a 70% blocking rate. In short, windbreak nets are significantly effective in protecting typhoon-affected areas.Keywords: computational fluid dynamics, disaster, typhoon, windbreak net
Procedia PDF Downloads 1913493 Hypercomplex Dynamics and Turbulent Flows in Sobolev and Besov Functional Spaces
Authors: Romulo Damasclin Chaves dos Santos, Jorge Henrique de Oliveira Sales
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This paper presents a rigorous study of advanced functional spaces, with a focus on Sobolev and Besov spaces, to investigate key aspects of fluid dynamics, including the regularity of solutions to the Navier-Stokes equations, hypercomplex bifurcations, and turbulence. We offer a comprehensive analysis of Sobolev embedding theorems in fractional spaces and apply bifurcation theory within quaternionic dynamical systems to better understand the complex behaviors in fluid systems. Additionally, the research delves into energy dissipation mechanisms in turbulent flows through the framework of Besov spaces. Key mathematical tools, such as interpolation theory, Littlewood-Paley decomposition, and energy cascade models, are integrated to develop a robust theoretical approach to these problems. By addressing challenges related to the existence and smoothness of solutions, this work contributes to the ongoing exploration of the open Navier-Stokes problem, providing new insights into the intricate relationship between fluid dynamics and functional spaces.Keywords: navier-stokes equations, hypercomplex bifurcations, turbulence, sobolev and besov space
Procedia PDF Downloads 143492 Nonlinear Response of Infinite Beams on a Multilayer Tensionless Extensible Geosynthetic – Reinforced Earth Bed under Moving Load
Authors: K. Karuppasamy
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In this paper analysis of an infinite beam resting on multilayer tensionless extensible geosynthetic reinforced granular fill - poor soil system overlying soft soil strata under moving the load with constant velocity is presented. The beam is subjected to a concentrated load moving with constant velocity. The upper reinforced granular bed is modeled by a rough membrane embedded in Pasternak shear layer overlying a series of compressible nonlinear Winkler springs representing the underlying the very poor soil. The multilayer tensionless extensible geosynthetic layer has been assumed to deform such that at the interface the geosynthetic and the soil have some deformation. Nonlinear behavior of granular fill and the very poor soil has been considered in the analysis by means of hyperbolic constitutive relationships. Governing differential equations of the soil foundation system have been obtained and solved with the help of appropriate boundary conditions. The solution has been obtained by employing finite difference method by means of Gauss-Siedel iterative scheme. Detailed parametric study has been conducted to study the influence of various parameters on the response of soil – foundation system under consideration by means of deflection and bending moment in the beam and tension mobilized in the geosynthetic layer. These parameters include the magnitude of applied load, the velocity of the load, damping, the ultimate resistance of the poor soil and granular fill layer. The range of values of parameters has been considered as per Indian Railways conditions. This study clearly observed that the comparisons of multilayer tensionless extensible geosynthetic reinforcement with poor foundation soil and magnitude of applied load, relative compressibility of granular fill and ultimate resistance of poor soil has significant influence on the response of soil – foundation system. However, for the considered range of velocity, the response has been found to be insensitive towards velocity. The ultimate resistance of granular fill layer has also been found to have no significant influence on the response of the system.Keywords: infinite beams, multilayer tensionless extensible geosynthetic, granular layer, moving load and nonlinear behavior of poor soil
Procedia PDF Downloads 4383491 Numerical Simulation of the Bond Behavior Between Concrete and Steel Reinforcing Bars in Specialty Concrete
Authors: Camille A. Issa, Omar Masri
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In the study, the commercial finite element software Abaqus was used to develop a three-dimensional nonlinear finite element model capable of simulating the pull-out test of reinforcing bars from underwater concrete. The results of thirty-two pull-out tests that have different parameters were implemented in the software to study the effect of the concrete cover, the bar size, the use of stirrups, and the compressive strength of concrete. The interaction properties used in the model provided accurate results in comparison with the experimental bond-slip results, thus the model has successfully simulated the pull-out test. The results of the finite element model are used to better understand and visualize the distribution of stresses in each component of the model, and to study the effect of the various parameters used in this study including the role of the stirrups in preventing the stress from reaching to the sides of the specimens.Keywords: pull-out test, bond strength, underwater concrete, nonlinear finite element analysis, abaqus
Procedia PDF Downloads 4423490 Molecular Dynamics Study on Mechanical Responses of Circular Graphene Nanoflake under Nanoindentation
Authors: Jeong-Won Kang
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Graphene, a single-atom sheet, has been considered as the most promising material for making future nanoelectromechanical systems as well as purely electrical switching with graphene transistors. Graphene-based devices have advantages in scaled-up device fabrication due to the recent progress in large area graphene growth and lithographic patterning of graphene nanostructures. Here we investigated its mechanical responses of circular graphene nanoflake under the nanoindentation using classical molecular dynamics simulations. A correlation between the load and the indentation depth was constructed. The nanoindented force in this work was applied to the center point of the circular graphene nanoflake and then, the resonance frequency could be tuned by a nanoindented depth. We found the hardening or the softening of the graphene nanoflake during its nanoindented-deflections, and such properties were recognized by the shift of the resonance frequency. The calculated mechanical parameters in the force vs deflection plot were in good agreement with previous experimental and theoretical works. This proposed schematics can detect the pressure via the deflection change or/and the resonance frequency shift, and also have great potential for versatile applications in nanoelectromechanical systems.Keywords: graphene, pressure sensor, circular graphene nanoflake, molecular dynamics
Procedia PDF Downloads 3873489 Mass Transfer Studies of Carbon Dioxide Absorption in Sodium Hydroxide in Millichannels
Authors: A. Durgadevi, S. Pushpavanam
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In this work, absorption studies are done by conducting experiments of 99.9 (v/v%) pure CO₂ with various concentrations of sodium hydroxide solutions in a T-junction glass circular milli-channel. The gas gets absorbed in the aqueous phase resulting in the shrinking of slugs. This phenomenon is used to develop a lumped parameter model. Using this model, the chemical dissolution dynamics and the mass transfer characteristics of the CO₂-NaOH system is analysed. The liquid side mass transfer coefficient is determined with the help of the experimental data.Keywords: absorption, dissolution dynamics, lumped parameter model, milli-channel, mass transfer coefficient
Procedia PDF Downloads 2843488 Molecular Dynamics Simulation of Free Vibration of Graphene Sheets
Authors: Seyyed Feisal Asbaghian Namin, Reza Pilafkan, Mahmood Kaffash Irzarahimi
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TThis paper considers vibration of single-layered graphene sheets using molecular dynamics (MD) and nonlocal elasticity theory. Based on the MD simulations, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), an open source software, is used to obtain fundamental frequencies. On the other hand, governing equations are derived using nonlocal elasticity and first order shear deformation theory (FSDT) and solved using generalized differential quadrature method (GDQ). The small-scale effect is applied in governing equations of motion by nonlocal parameter. The effect of different side lengths, boundary conditions and nonlocal parameter are inspected for aforementioned methods. Results are obtained from MD simulations is compared with those of the nonlocal elasticity theory to calculate appropriate values for the nonlocal parameter. The nonlocal parameter value is suggested for graphene sheets with various boundary conditions. Furthermore, it is shown that the nonlocal elasticity approach using classical plate theory (CLPT) assumptions overestimates the natural frequencies.Keywords: graphene sheets, molecular dynamics simulations, fundamental frequencies, nonlocal elasticity theory, nonlocal parameter
Procedia PDF Downloads 5213487 Second Order MIMO Sliding Mode Controller for Nonlinear Modeled Wind Turbine
Authors: Alireza Toloei, Ahmad R. Saffary, Reza Ghasemi
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Due to the growing need for energy and limited fossil resources, the use of renewable energy, particularly wind is strongly favored. We all wind energy can’t be saved. Betz law, 59% of the total kinetic energy of the wind turbine is extracting. Therefore turbine control to achieve maximum performance and maintain stable conditions seem necessary. In this article, we plan for a horizontal axis wind turbine variable-speed variable-pitch nonlinear controller to obtain maximum output power. The model presented in this article, including a wide range of wind turbines are horizontal axis. However, the parameters used in this model is from Vestas V29 225 kW wind turbine. We designed second order sliding mode controller, which was robust in the face of changes in wind speed and it eliminated chattering by using of super twisting algorithm. Finally, using MATLAB software to simulate the results we considered the accuracy of the simulation results.Keywords: non linear controller, robust, sliding mode, kinetic energy
Procedia PDF Downloads 4993486 The System Dynamics Research of China-Africa Trade, Investment and Economic Growth
Authors: Emma Serwaa Obobisaa, Haibo Chen
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International trade and outward foreign direct investment are important factors which are generally recognized in the economic growth and development. Though several scholars have struggled to reveal the influence of trade and outward foreign direct investment (FDI) on economic growth, most studies utilized common econometric models such as vector autoregression and aggregated the variables, which for the most part prompts, however, contradictory and mixed results. Thus, there is an exigent need for the precise study of the trade and FDI effect of economic growth while applying strong econometric models and disaggregating the variables into its separate individual variables to explicate their respective effects on economic growth. This will guarantee the provision of policies and strategies that are geared towards individual variables to ensure sustainable development and growth. This study, therefore, seeks to examine the causal effect of China-Africa trade and Outward Foreign Direct Investment on the economic growth of Africa using a robust and recent econometric approach such as system dynamics model. Our study impanels and tests an ensemble of a group of vital variables predominant in recent studies on trade-FDI-economic growth causality: Foreign direct ınvestment, international trade and economic growth. Our results showed that the system dynamics method provides accurate statistical inference regarding the direction of the causality among the variables than the conventional method such as OLS and Granger Causality predominantly used in the literature as it is more robust and provides accurate, critical values.Keywords: economic growth, outward foreign direct investment, system dynamics model, international trade
Procedia PDF Downloads 1083485 Raman Scattering Broadband Spectrum Generation in Compact Yb-Doped Fiber Laser
Authors: Yanrong Song, Zikai Dong, Runqin Xu, Jinrong Tian, Kexuan Li
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Nonlinear polarization rotation (NPR) technique has become one of the main techniques to achieve mode-locked fiber lasers for its compactness, implementation, and low cost. In this paper, we demonstrate a compact mode-locked Yb-doped fiber laser based on NPR technique in the all normal dispersion (ANDi) regime. In the laser cavity, there are no physical filter and polarization controller in laser cavity. Mode-locked pulse train is achieved in ANDi regime based on NPR technique. The fiber birefringence induced filtering effect is the mainly reason for mode-locking. After that, an extra 20 m long single-mode fiber is inserted in two different positions, dissipative soliton operation and noise like pulse operations are achieved correspondingly. The nonlinear effect is obviously enhanced in the noise like pulse regime and broadband spectrum generated owing to enhanced stimulated Raman scattering effect. When the pump power is 210 mW, the central wavelength is 1030 nm, and the corresponding 1st order Raman scattering stokes wave generates and locates at 1075 nm. When the pump power is 370 mW, the 1st and 2nd order Raman scattering stokes wave generate and locate at 1080 nm, 1126 nm respectively. When the pump power is 600 mW, the Raman continuum is generated with cascaded multi-order stokes waves, and the spectrum extends to 1188 nm. The total flat spectrum is from 1000nm to 1200nm. The maximum output average power and pulse energy are 18.0W and 14.75nJ, respectively.Keywords: fiber laser, mode-locking, nonlinear polarization rotation, Raman scattering
Procedia PDF Downloads 2213484 Computational Fluid Dynamics Simulations of Thermal and Flow Fields inside a Desktop Personal Computer Cabin
Authors: Mohammad Salehi, Mohammad Erfan Doraki
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In this paper, airflow analysis inside a desktop computer case is performed by simulating computational fluid dynamics. The purpose is to investigate the cooling process of the central processing unit (CPU) with thermal capacities of 80 and 130 watts. The airflow inside the computer enclosure, selected from the microATX model, consists of the main components of heat production such as CPU, hard disk drive, CD drive, floppy drive, memory card and power supply unit; According to the amount of thermal power produced by the CPU with 80 and 130 watts of power, two different geometries have been used for a direct and radial heat sink. First, the independence of the computational mesh and the validation of the solution were performed, and after ensuring the correctness of the numerical solution, the results of the solution were analyzed. The simulation results showed that changes in CPU temperature and other components linearly increased with increasing CPU heat output. Also, the ambient air temperature has a significant effect on the maximum processor temperature.Keywords: computational fluid dynamics, CPU cooling, computer case simulation, heat sink
Procedia PDF Downloads 1233483 A Fractional Derivative Model to Quantify Non-Darcy Flow in Porous and Fractured Media
Authors: Golden J. Zhang, Dongbao Zhou
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Darcy’s law is the fundamental theory in fluid dynamics and engineering applications. Although Darcy linearity was found to be valid for slow, viscous flow, non-linear and non-Darcian flow has been well documented under both small and large velocity fluid flow. Various classical models were proposed and used widely to quantify non-Darcian flow, including the well-known Forchheimer, Izbash, and Swartzendruber models. Applications, however, revealed limitations of these models. Here we propose a general model built upon the Caputo fractional derivative to quantify non-Darcian flow for various flows (laminar to turbulence).Real-world applications and model comparisons showed that the new fractional-derivative model, which extends the fractional model proposed recently by Zhou and Yang (2018), can capture the non-Darcian flow in the relatively small velocity in low-permeability deposits and the relatively high velocity in high-permeability sand. A scale effect was also identified for non-Darcian flow in fractured rocks. Therefore, fractional calculus may provide an efficient tool to improve classical models to quantify fluid dynamics in aquatic environments.Keywords: fractional derivative, darcy’s law, non-darcian flow, fluid dynamics
Procedia PDF Downloads 1263482 The Application of Extend Spectrum-Based Pushover Analysis for Seismic Evaluation of Reinforced Concrete Wall Structures
Authors: Yang Liu
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Reinforced concrete (RC) shear wall structures are one of the most popular and efficient structural forms for medium- and high-rise buildings to resist the action of earthquake loading. Thus, it is of great significance to evaluate the seismic demands of the RC shear walls. In this paper, the application of the extend spectrum-based pushover analysis (ESPA) method on the seismic evaluation of the shear wall structure is presented. The ESPA method includes a nonlinear consecutive pushover analysis procedure and a linear elastic modal response analysis procedure to consider the combination of modes in both elastic and inelastic cases. It is found from the results of case study that the ESPA method can predict the seismic performance of shear wall structures, including internal forces and deformations very well.Keywords: reinforced concrete shear wall, seismic performance, high mode effect, nonlinear analysis
Procedia PDF Downloads 1573481 Validating the Micro-Dynamic Rule in Opinion Dynamics Models
Authors: Dino Carpentras, Paul Maher, Caoimhe O'Reilly, Michael Quayle
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Opinion dynamics is dedicated to modeling the dynamic evolution of people's opinions. Models in this field are based on a micro-dynamic rule, which determines how people update their opinion when interacting. Despite the high number of new models (many of them based on new rules), little research has been dedicated to experimentally validate the rule. A few studies started bridging this literature gap by experimentally testing the rule. However, in these studies, participants are forced to express their opinion as a number instead of using natural language. Furthermore, some of these studies average data from experimental questions, without testing if differences existed between them. Indeed, it is possible that different topics could show different dynamics. For example, people may be more prone to accepting someone's else opinion regarding less polarized topics. In this work, we collected data from 200 participants on 5 unpolarized topics. Participants expressed their opinions using natural language ('agree' or 'disagree') and the certainty of their answer, expressed as a number between 1 and 10. To keep the interaction based on natural language, certainty was not shown to other participants. We then showed to the participant someone else's opinion on the same topic and, after a distraction task, we repeated the measurement. To produce data compatible with standard opinion dynamics models, we multiplied the opinion (encoded as agree=1 and disagree=-1) with the certainty to obtain a single 'continuous opinion' ranging from -10 to 10. By analyzing the topics independently, we observed that each one shows a different initial distribution. However, the dynamics (i.e., the properties of the opinion change) appear to be similar between all topics. This suggested that the same micro-dynamic rule could be applied to unpolarized topics. Another important result is that participants that change opinion tend to maintain similar levels of certainty. This is in contrast with typical micro-dynamics rules, where agents move to an average point instead of directly jumping to the opposite continuous opinion. As expected, in the data, we also observed the effect of social influence. This means that exposing someone with 'agree' or 'disagree' influenced participants to respectively higher or lower values of the continuous opinion. However, we also observed random variations whose effect was stronger than the social influence’s one. We even observed cases of people that changed from 'agree' to 'disagree,' even if they were exposed to 'agree.' This phenomenon is surprising, as, in the standard literature, the strength of the noise is usually smaller than the strength of social influence. Finally, we also built an opinion dynamics model from the data. The model was able to explain more than 80% of the data variance. Furthermore, by iterating the model, we were able to produce polarized states even starting from an unpolarized population. This experimental approach offers a way to test the micro-dynamic rule. This also allows us to build models which are directly grounded on experimental results.Keywords: experimental validation, micro-dynamic rule, opinion dynamics, update rule
Procedia PDF Downloads 1623480 Multibody Constrained Dynamics of Y-Method Installation System for a Large Scale Subsea Equipment
Authors: Naeem Ullah, Menglan Duan, Mac Darlington Uche Onuoha
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The lowering of subsea equipment into the deep waters is a challenging job due to the harsh offshore environment. Many researchers have introduced various installation systems to deploy the payload safely into the deep oceans. In general practice, dual floating vessels are not employed owing to the prevalent safety risks and hazards caused by ever-increasing dynamical effects sourced by mutual interaction between the bodies. However, while keeping in the view of the optimal grounds, such as economical one, the Y-method, the two conventional tugboats supporting the equipment by the two independent strands connected to a tri-plate above the equipment, has been employed to study multibody dynamics of the dual barge lifting operations. In this study, the two tugboats and the suspended payload (Y-method) are deployed for the lowering of subsea equipment into the deep waters as a multibody dynamic system. The two-wire ropes are used for the lifting and installation operation by this Y-method installation system. 6-dof (degree of freedom) for each body are considered to establish coupled 18-dof multibody model by embedding technique or velocity transformation technique. The fundamental and prompt advantage of this technique is that the constraint forces can be eliminated directly, and no extra computational effort is required for the elimination of the constraint forces. The inertial frame of reference is taken at the surface of the water as the time-independent frame of reference, and the floating frames of reference are introduced in each body as the time-dependent frames of reference in order to formulate the velocity transformation matrix. The local transformation of the generalized coordinates to the inertial frame of reference is executed by applying the Euler Angle approach. The spherical joints are articulated amongst the multibody as the kinematic joints. The hydrodynamic force, the two-strand forces, the hydrostatic force, and the mooring forces are taken into consideration as the external forces. The radiation force of the hydrodynamic force is obtained by employing the Cummins equation. The wave exciting part of the hydrodynamic force is obtained by using force response amplitude operators (RAOs) that are obtained by the commercial solver ‘OpenFOAM’. The strand force is obtained by considering the wire rope as an elastic spring. The nonlinear hydrostatic force is obtained by the pressure integration technique at each time step of the wave movement. The mooring forces are evaluated by using Faltinsen analytical approach. ‘The Runge Kutta Method’ of Fourth-Order is employed to evaluate the coupled equations of motion obtained for 18-dof multibody model. The results are correlated with the simulated Orcaflex Model. Moreover, the results from Orcaflex Model are compared with the MOSES Model from previous studies. The MBDS of single barge lifting operation from the former studies are compared with the MBDS of the established dual barge lifting operation. The dynamics of the dual barge lifting operation are found larger in magnitude as compared to the single barge lifting operation. It is noticed that the traction at the top connection point of the cable decreases with the increase in the length, and it becomes almost constant after passing through the splash zone.Keywords: dual barge lifting operation, Y-method, multibody dynamics, shipbuilding, installation of subsea equipment, shipbuilding
Procedia PDF Downloads 2033479 The Effect of Masonry Infills on the Seismic Response of Reinforced Concrete Structures
Authors: Mohammad Reza Ameri, Ali Massumi, Behnam Mahboubi
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The performance of masonry infilled frames during the past earthquakes shows that the infill panels play a major role as earthquake-resistant elements. The present study examines the influence of infill panels on seismic behavior of RC frame structures. For this purpose, several low- and mid-rise RC frames (two-, four-, seven-, and ten story) were numerically investigated. Reinforced masonry infill panels were then placed within the frames and the models were subjected to several nonlinear incremental static and dynamic analyses. The results of analyses showed that the use of reinforced masonry infill panels in RC frame structures can have beneficial effects on structural performance. It was confirmed that the use of masonry infill panels results in an increment in strength and stiffness of the framed buildings, followed by a reduction in displacement demand for the structural systems.Keywords: reinforced masonry infill panels, nonlinear static analysis, incremental dynamic analysis, low-rise reinforced concrete frames, mid-rise reinforced concrete frames
Procedia PDF Downloads 3203478 Unraveling the Enigma of Military Coups through the Lens of State Fragility: A Qualitative Exploration of the Malian and Burkinabe Case
Authors: Deretha Bester
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This article explores the recent military coups in Mali (August 2020) and Burkina Faso (January 2022), utilizing qualitative case study analyses to examine the pre-coup domestic contextual conditions that precipitated the events. By framing the research through the conceptual lens of state fragility, the research identifies key political, economic, and societal factors that converge to create an environment conducive for coups to occur. From the analyses, the study discusses several patterns that emerged, all revealing the significance of the core functions of governance. Through an in-depth exploration that brings the state back into the coup debate, the study provides rich insights into the complex dynamics of military intervention in political affairs, highlighting the urgency of understanding the underlying domestic factors that can lead to radical political changes. By illuminating these intricate dynamics, the article seeks to provide detailed insights needed to fully understand the challenges moulding the region's political terrain.Keywords: governance failures, military coups, political dynamics, Sahel region, state fragility
Procedia PDF Downloads 643477 Mapping Structurally Significant Areas of G-CSF during Thermal Degradation with NMR
Authors: Mark-Adam Kellerman
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Proteins are capable of exploring vast mutational spaces. This makes it difficult for protein engineers to devise rational methods to improve stability and function via mutagenesis. Deciding which residues to mutate requires knowledge of the characteristics they elicit. We probed the characteristics of residues in granulocyte-colony stimulating factor (G-CSF) using a thermal melt (from 295K to 323K) to denature it in a 700 MHz Bruker spectrometer. These characteristics included dynamics, micro-environmental changes experienced/ induced during denaturing and structure-function relationships. 15N-1H HSQC experiments were performed at 2K increments along with this thermal melt. We observed that dynamic residues that also undergo a lot of change in their microenvironment were predominantly in unstructured regions. Moreover, we were able to identify four residues (G4, A6, T133 and Q134) that we class as high priority targets for mutagenesis, given that they all appear in both the top 10% of measures for environmental changes and dynamics (∑Δ and ∆PI). We were also able to probe these NMR observables and combine them with molecular dynamics (MD) to elucidate what appears to be an opening motion of G-CSFs binding site III. V48 appears to be pivotal to this opening motion, which also seemingly distorts the loop region between helices A and B. This observation is in agreement with previous findings that the conformation of this loop region becomes altered in an aggregation-prone state of G-CSF. Hence, we present here an approach to profile the characteristics of residues in order to highlight their potential as rational mutagenesis targets and their roles in important conformational changes. These findings present not only an opportunity to effectively make biobetters, but also open up the possibility to further understand epistasis and machine learn residue behaviours.Keywords: protein engineering, rational mutagenesis, NMR, molecular dynamics
Procedia PDF Downloads 2553476 Enhanced Optical Nonlinearity in Bismuth Borate Glass: Effect of Size of Nanoparticles
Authors: Shivani Singla, Om Prakash Pandey, Gopi Sharma
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Metallic nanoparticle doped glasses has lead to rapid development in the field of optics. Large third order non-linearity, ultrafast time response, and a wide range of resonant absorption frequencies make these metallic nanoparticles more important in comparison to their bulk material. All these properties are highly dependent upon the size, shape, and surrounding environment of the nanoparticles. In a quest to find a suitable material for optical applications, several efforts have been devoted to improve the properties of such glasses in the past. In the present study, bismuth borate glass doped with different size gold nanoparticles (AuNPs) has been prepared using the conventional melt-quench technique. Synthesized glasses are characterized by X-ray diffraction (XRD) and Fourier Transformation Infrared spectroscopy (FTIR) to observe the structural modification in the glassy matrix with the variation in the size of the AuNPs. Glasses remain purely amorphous in nature even after the addition of AuNPs, whereas FTIR proposes that the main structure contains BO₃ and BO₄ units. Field emission scanning electron microscopy (FESEM) confirms the existence and variation in the size of AuNPs. Differential thermal analysis (DTA) depicts that prepared glasses are thermally stable and are highly suitable for the fabrication of optical fibers. The nonlinear optical parameters (nonlinear absorption coefficient and nonlinear refractive index) are calculated out by using the Z-scan technique with a Ti: sapphire laser at 800 nm. It has been concluded that the size of the nanoparticles highly influences the structural thermal and optical properties system.Keywords: bismuth borate glass, different size, gold nanoparticles, nonlinearity
Procedia PDF Downloads 1223475 Insect Outbreaks, Harvesting and Wildfire in Forests: Mathematical Models for Coupling Disturbances
Authors: M. C. A. Leite, B. Chen-Charpentier, F. Agusto
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A long-term goal of sustainable forest management is a relatively stable source of wood and a stable forest age-class structure has become the goal of many forest management practices. In the absence of disturbances, this forest management goal could easily be achieved. However, in the face of recurring insect outbreaks and other disruptive processes forest planning becomes more difficult, requiring knowledge of the effects on the forest of a wide variety of environmental factors (e.g., habitat heterogeneity, fire size and frequency, harvesting, insect outbreaks, and age distributions). The association between distinct forest disturbances and the potential effect on forest dynamics is a complex matter, particularly when evaluated over time and at large scale, and is not well understood. However, gaining knowledge in this area is crucial for a sustainable forest management. Mathematical modeling is a tool that can be used to broader the understanding in this area. In this talk we will introduce mathematical models formulation incorporating the effect of insect outbreaks either as a single disturbance in the forest population dynamics or coupled with other disturbances: either wildfire or harvesting. The results and ecological insights will be discussed.Keywords: age-structured forest population, disturbances interaction, harvesting insects outbreak dynamics, mathematical modeling
Procedia PDF Downloads 5253474 Real-Time Radar Tracking Based on Nonlinear Kalman Filter
Authors: Milca F. Coelho, K. Bousson, Kawser Ahmed
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To accurately track an aerospace vehicle in a time-critical situation and in a highly nonlinear environment, is one of the strongest interests within the aerospace community. The tracking is achieved by estimating accurately the state of a moving target, which is composed of a set of variables that can provide a complete status of the system at a given time. One of the main ingredients for a good estimation performance is the use of efficient estimation algorithms. A well-known framework is the Kalman filtering methods, designed for prediction and estimation problems. The success of the Kalman Filter (KF) in engineering applications is mostly due to the Extended Kalman Filter (EKF), which is based on local linearization. Besides its popularity, the EKF presents several limitations. To address these limitations and as a possible solution to tracking problems, this paper proposes the use of the Ensemble Kalman Filter (EnKF). Although the EnKF is being extensively used in the context of weather forecasting and it is being recognized for producing accurate and computationally effective estimation on systems with a very high dimension, it is almost unknown by the tracking community. The EnKF was initially proposed as an attempt to improve the error covariance calculation, which on the classic Kalman Filter is difficult to implement. Also, in the EnKF method the prediction and analysis error covariances have ensemble representations. These ensembles have sizes which limit the number of degrees of freedom, in a way that the filter error covariance calculations are a lot more practical for modest ensemble sizes. In this paper, a realistic simulation of a radar tracking was performed, where the EnKF was applied and compared with the Extended Kalman Filter. The results suggested that the EnKF is a promising tool for tracking applications, offering more advantages in terms of performance.Keywords: Kalman filter, nonlinear state estimation, optimal tracking, stochastic environment
Procedia PDF Downloads 1473473 Effect of Channel Variation of Two-Dimensional Water Tunnel to Study Fluid Dynamics Phenomenon
Authors: Rizka Yunita, Mas Aji Rizki Wijayanto
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Computational fluid dynamics (CFD) is the solution to explain how fluid dynamics behavior. In this work, we obtain the effect of channel width of two-dimensional fluid visualization. Using a horizontal water tunnel and flowing soap film, we got a visualization of continuous film that can be observe a graphical overview of the flow that occurs on a space or field in which the fluid flow. The horizontal water tunnel we used, divided into three parts, expansion area, parallel area that used to test the data, and contraction area. The width of channel is the boundary of parallel area with the originally width of 7.2 cm, and the variation of channel width we observed is about 1 cm and its times. To compute the velocity, vortex shedding, and other physical parameters of fluid, we used the cyclinder circular as an obstacle to create a von Karman vortex in fluid and analyzed that phenomenon by using Particle Imaging Velocimetry (PIV) method and comparing Reynolds number and Strouhal number from the visualization we got. More than width the channel, the film is more turbulent and have a separation zones that occurs of uncontinuous flowing fluid.Keywords: flow visualization, width of channel, vortex, Reynolds number, Strouhal number
Procedia PDF Downloads 3793472 Evaluation of Diagnosis Performance Based on Pairwise Model Construction and Filtered Data
Authors: Hyun-Woo Cho
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It is quite important to utilize right time and intelligent production monitoring and diagnosis of industrial processes in terms of quality and safety issues. When compared with monitoring task, fault diagnosis represents the task of finding process variables responsible causing a specific fault in the process. It can be helpful to process operators who should investigate and eliminate root causes more effectively and efficiently. This work focused on the active use of combining a nonlinear statistical technique with a preprocessing method in order to implement practical real-time fault identification schemes for data-rich cases. To compare its performance to existing identification schemes, a case study on a benchmark process was performed in several scenarios. The results showed that the proposed fault identification scheme produced more reliable diagnosis results than linear methods. In addition, the use of the filtering step improved the identification results for the complicated processes with massive data sets.Keywords: diagnosis, filtering, nonlinear statistical techniques, process monitoring
Procedia PDF Downloads 2443471 A Controlled Mathematical Model for Population Dynamics in an Infested Honeybees Colonies
Authors: Chakib Jerry, Mounir Jerry
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In this paper, a mathematical model of infested honey bees colonies is formulated in order to investigate Colony Collapse Disorder in a honeybee colony. CCD, as it is known, is a major problem on honeybee farms because of the massive decline in colony numbers. We introduce to the model a control variable which represents forager protection. We study the controlled model to derive conditions under which the bee colony can fight off epidemic. Secondly we study the problem of minimizing prevention cost under model’s dynamics constraints.Keywords: honey bee, disease transmission model, disease control honeybees, optimal control
Procedia PDF Downloads 4263470 Kinetics of Acetaminophen Based Oscillatory Chemical Reaction with and without Ferroin as Catalyst: An Inorganic Prototype Model for Paracetamol-Ethanol Syndrome
Authors: Nadeem Bashir, Ghulam Mustafa Peerzada
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The present study pertains to the nonlinear behavior of acetaminophen based uncatalyzed Belousov-Zhabotinsky (BZ) oscillator and its dynamics in the presence of Ferroin as the catalyst. The role of free metal ions as catalysts was examined and the results compared with corresponding complexed catalysts. Free metal ions were found to be sluggish with respect to the evolution of the oscillatory regime as compared to complexed ones. Effect of change of the ligand moiety of the catalyst complex on the oscillatory parameters was monitored. Since ethanol potentiates the hepatotoxicity caused by acetaminophen in-vivo, it is thought to understand this interaction by virtue of causing perturbation of the acetaminophen based oscillator with different concentrations of the ethanol with and without ferroin as the catalyst. Another dimension to the ethanol effect was added by perturbation of the system with ethanol at different stages of the reaction so as to get an idea whether it is acetaminophen or some reactive intermediate generated in the reaction system which reacts with ethanol. Further, the ferroin-catalyzed oscillator is taken as a prototype inorganic model of the acetaminophen-ethanol syndrome, as ferroin and HOBr were inorganic replacements to Cyt P450 and NADPH in the alcohol metabolism.Keywords: Belousov-Zhabotinsky reaction, ferroin, Paracetamol-Ethanol syndrome, kinetics
Procedia PDF Downloads 5313469 Nonlinear Aerodynamic Parameter Estimation of a Supersonic Air to Air Missile by Using Artificial Neural Networks
Authors: Tugba Bayoglu
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Aerodynamic parameter estimation is very crucial in missile design phase, since accurate high fidelity aerodynamic model is required for designing high performance and robust control system, developing high fidelity flight simulations and verification of computational and wind tunnel test results. However, in literature, there is not enough missile aerodynamic parameter identification study for three main reasons: (1) most air to air missiles cannot fly with constant speed, (2) missile flight test number and flight duration are much less than that of fixed wing aircraft, (3) variation of the missile aerodynamic parameters with respect to Mach number is higher than that of fixed wing aircraft. In addition to these challenges, identification of aerodynamic parameters for high wind angles by using classical estimation techniques brings another difficulty in the estimation process. The reason for this, most of the estimation techniques require employing polynomials or splines to model the behavior of the aerodynamics. However, for the missiles with a large variation of aerodynamic parameters with respect to flight variables, the order of the proposed model increases, which brings computational burden and complexity. Therefore, in this study, it is aimed to solve nonlinear aerodynamic parameter identification problem for a supersonic air to air missile by using Artificial Neural Networks. The method proposed will be tested by using simulated data which will be generated with a six degree of freedom missile model, involving a nonlinear aerodynamic database. The data will be corrupted by adding noise to the measurement model. Then, by using the flight variables and measurements, the parameters will be estimated. Finally, the prediction accuracy will be investigated.Keywords: air to air missile, artificial neural networks, open loop simulation, parameter identification
Procedia PDF Downloads 2793468 Finite Deformation of a Dielectric Elastomeric Spherical Shell Based on a New Nonlinear Electroelastic Constitutive Theory
Authors: Odunayo Olawuyi Fadodun
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Dielectric elastomers (DEs) are a type of intelligent materials with salient features like electromechanical coupling, lightweight, fast actuation speed, low cost and high energy density that make them good candidates for numerous engineering applications. This paper adopts a new nonlinear electroelastic constitutive theory to examine radial deformation of a pressurized thick-walled spherical shell of soft dielectric material with compliant electrodes on its inner and outer surfaces. A general formular for the internal pressure, which depends on the deformation and a potential difference between boundary electrodes or uniform surface charge distributions, is obtained in terms of special function. To illustrate the effects of an applied electric field on the mechanical behaviour of the shell, three different energy functions with distinct mechanical properties are employed for numerical purposes. The observed behaviour of the shells is preserved in the presence of an applied electric field, and the influence of the field due to a potential difference declines more slowly with the increasing deformation to that produced by a surface charge. Counterpart results are then presented for the thin-walled shell approximation as a limiting case of a thick-walled shell without restriction on the energy density. In the absence of internal pressure, it is obtained that inflation is caused by the application of an electric field. The resulting numerical solutions of the theory presented in this work are in agreement with those predicted by the generally adopted Dorfmann and Ogden model.Keywords: constitutive theory, elastic dielectric, electroelasticity, finite deformation, nonlinear response, spherical shell
Procedia PDF Downloads 933467 Analyzing and Predicting the CL-20 Detonation Reaction Mechanism Based on Artificial Intelligence Algorithm
Authors: Kaining Zhang, Lang Chen, Danyang Liu, Jianying Lu, Kun Yang, Junying Wu
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In order to solve the problem of a large amount of simulation and limited simulation scale in the first-principle molecular dynamics simulation of energetic material detonation reaction, we established an artificial intelligence model for analyzing and predicting the detonation reaction mechanism of CL-20 based on the first-principle molecular dynamics simulation of the multiscale shock technique (MSST). We employed principal component analysis to identify the dominant charge features governing molecular reactions. We adopted the K-means clustering algorithm to cluster the reaction paths and screen out the key reactions. We introduced the neural network algorithm to construct the mapping relationship between the charge characteristics of the molecular structure and the key reaction characteristics so as to establish a calculation method for predicting detonation reactions based on the charge characteristics of CL-20 and realize the rapid analysis of the reaction mechanism of energetic materials.Keywords: energetic material detonation reaction, first-principle molecular dynamics simulation of multiscale shock technique, neural network, CL-20
Procedia PDF Downloads 1133466 Solutions for Comfort and Safety on Vibrations Resulting from the Action of the Wind on the Building in the Form of Portico with Four Floors
Authors: G. B. M. Carvalho, V. A. C. Vale, E. T. L. Cöuras Ford
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With the aim of increasing the levels of comfort and security structures, the study of dynamic loads on buildings has been one of the focuses in the area of control engineering, civil engineering and architecture. Thus, this work presents a study based on simulation of the dynamics of buildings in the form of portico subjected to wind action, besides presenting an action of passive control, using for this the dynamics of the structure, consequently representing a system appropriated on environmental issues. These control systems are named the dynamic vibration absorbers.Keywords: dynamic vibration absorber, structure, comfort, safety, wind behavior, structure
Procedia PDF Downloads 408