Search results for: relaxation dynamics
2489 Exploring the Design of Prospective Human Immunodeficiency Virus Type 1 Reverse Transcriptase Inhibitors through a Comprehensive Approach of Quantitative Structure Activity Relationship Study, Molecular Docking, and Molecular Dynamics Simulations
Authors: Mouna Baassi, Mohamed Moussaoui, Sanchaita Rajkhowa, Hatim Soufi, Said Belaaouad
Abstract:
The objective of this paper is to address the challenging task of targeting Human Immunodeficiency Virus type 1 Reverse Transcriptase (HIV-1 RT) in the treatment of AIDS. Reverse Transcriptase inhibitors (RTIs) have limitations due to the development of Reverse Transcriptase mutations that lead to treatment resistance. In this study, a combination of statistical analysis and bioinformatics tools was adopted to develop a mathematical model that relates the structure of compounds to their inhibitory activities against HIV-1 Reverse Transcriptase. Our approach was based on a series of compounds recognized for their HIV-1 RT enzymatic inhibitory activities. These compounds were designed via software, with their descriptors computed using multiple tools. The most statistically promising model was chosen, and its domain of application was ascertained. Furthermore, compounds exhibiting comparable biological activity to existing drugs were identified as potential inhibitors of HIV-1 RT. The compounds underwent evaluation based on their chemical absorption, distribution, metabolism, excretion, toxicity properties, and adherence to Lipinski's rule. Molecular docking techniques were employed to examine the interaction between the Reverse Transcriptase (Wild Type and Mutant Type) and the ligands, including a known drug available in the market. Molecular dynamics simulations were also conducted to assess the stability of the RT-ligand complexes. Our results reveal some of the new compounds as promising candidates for effectively inhibiting HIV-1 Reverse Transcriptase, matching the potency of the established drug. This necessitates further experimental validation. This study, beyond its immediate results, provides a methodological foundation for future endeavors aiming to discover and design new inhibitors targeting HIV-1 Reverse Transcriptase.Keywords: QSAR, ADMET properties, molecular docking, molecular dynamics simulation, reverse transcriptase inhibitors, HIV type 1
Procedia PDF Downloads 842488 Numerical Study for the Estimation of Hydrodynamic Current Drag Coefficients for the Colombian Navy Frigates Using Computational Fluid Dynamics
Authors: Mauricio Gracia, Luis Leal, Bharat Verma
Abstract:
Computational fluid dynamics (CFD) has become nowadays an important tool in the process of hydrodynamic design of modern ships. CFD is used to model any phenomena related to fluid flow in a control volume like a ship or any offshore structure in the sea. In the present study, the current force drag coefficients for a Colombian Navy Frigate in deep and shallow water are estimated through the application of CFD. The study shows the process of simulating the ship current drag coefficients using the CFD simulations method, which is conducted using STAR-CCM+ software package. The Almirante Padilla class Frigate ship scale model is investigated. The results show the ship current drag coefficient calculated considering a current speed of 1 knot with a 90° drift angle for the full-scale ship. Predicted results were compared against the current drag coefficients published in the Lloyds register OCIMF report. It is shown that the simulation results agree fairly well with the published results and that STAR-CCM+ code can predict current drag coefficients.Keywords: CFD, current draft coefficient, STAR-CCM+, OCIMF, Bollard pull
Procedia PDF Downloads 1622487 Post-Islamism, Turkish Referendum and the Anatolian Middle Class
Authors: Firmanda Taufiq
Abstract:
Turkey as a country with great political power and political dynamics that occurred in Turkey shows symptoms that make this country interesting enough to be studied. In addition, there is also Post-Islamism phenomenon that causes fluctuations and changes in Turkish politics. In this regard, Turkey carved out history by holding a referendum that changed the state system from a parliamentary system with a presidential system. This change has major implications in the life of Turkish society and politics. The condition is not only influenced by the government of Recep Tayyib Erdogan alone, but actually there is also anxiety middle class Turkish (Middle Class Anatolia). So there was a Turkish referendum held on 16 April 2017. This research using descriptive-analysis method to analyzing problems of research, that's how the post-Islamism situation in Turkey and Anatolian Middle Class impact to Turkish referendum. Actually, the political process that took place in Turkey is inseparable from Post-Islamism which became an important part in the change and transition of government system. The AKP Party as the basis of the Erdogan government movement became an important actor in the political and policy dynamics produced by the Erdogan government. It is then why the Turkish referendum took place.Keywords: post-Islamism, Turkish politic, AKP, middle class Anatolia
Procedia PDF Downloads 4772486 Application of Low Frequency Ac Magnetic Field for Controlled Delivery of Drugs by Magnetic Nanoparticles
Authors: K. Yu Vlasova, M. A. Abakumov, H. Wishwarsao, M. Sokolsky, N. V. Nukolova, A. G. Majouga, Y. I. Golovin, N. L. Klyachko, A. V. Kabanov
Abstract:
Introduction:Nowadays pharmaceutical medicine is aimed to create systems for combined therapy, diagnostic, drug delivery and controlled release of active molecules to target cells. Magnetic nanoparticles (MNPs) are used to achieve this aim. MNPs can be applied in molecular diagnostics, magnetic resonance imaging (T1/T2 contrast agents), drug delivery, hyperthermia and could improve therapeutic effect of drugs. The most common drug containers, containing MNPs, are liposomes, micelles and polymeric molecules bonded to the MNPs surface. Usually superparamagnetic nanoparticles are used (the general diameter is about 5-6 nm) and all effects of high frequency magnetic field (MF) application are based on Neel relaxation resulting in heating of surrounded media. In this work we try to develop a new method to improve drug release from MNPs under super low frequency MF. We suppose that under low frequency MF exposures the Brown’s relaxation dominates and MNPs rotation could occur leading to conformation changes and release of bioactive molecules immobilized on MNPs surface.The aim of this work was to synthesize different systems with active drug (biopolymers coated MNPs nanoclusters with immobilized enzymes and doxorubicin (Dox) loaded magnetic liposomes/micelles) and investigate the effect of super low frequency MF on these drug containers. Methods: We have synthesized MNPs of magnetite with magnetic core diameter 7-12 nm . The MNPs were coated with block-copolymer of polylysine and polyethylene glycol. Superoxide dismutase 1 (SOD1) was electrostatically adsorbed on the surface of the clusters. Liposomes were prepared as follow: MNPs, phosphatidylcholine and cholesterol were dispersed in chloroform, dried to get film and then dispersed in distillated water, sonicated. Dox was added to the solution, pH was adjusted to 7.4 and excess of drug was removed by centrifugation through 3 kDa filters. Results: Polylysine coated MNPs formed nanosized clusters (as observed by TEM) with intensity average diameter of 112±5 nm and zeta potential 12±3 mV. After low frequency AC MF exposure we observed change of immobilized enzyme activity and hydrodynamic size of clusters. We suppose that the biomolecules (enzymes) are released from the MNPs surface followed with additional aggregation of complexes at the MF in medium. Centrifugation of the nanosuspension after AC MF exposures resulted in increase of positive charge of clusters and change in enzyme concentration in comparison with control sample without MF, thus confirming desorption of negatively charged enzyme from the positively charged surface of MNPs. Dox loaded magnetic liposomes had average diameter of 160±8 nm and polydispersity index (PDI) 0.25±0.07. Liposomes were stable in DW and PBS at pH=7.4 at 370C during a week. After MF application (10 min of exposure, 50 Hz, 230 mT) diameter of liposomes raised to 190±10 nm and PDI was 0.38±0.05. We explain this by destroying and/or reorganization of lipid bilayer, that leads to changes in release of drug in comparison with control without MF exposure. Conclusion: A new application of low frequency AC MF for drug delivery and controlled drug release was shown. Investigation was supported by RSF-14-13-00731 grant, K1-2014-022 grant.Keywords: magnetic nanoparticles, low frequency magnetic field, drug delivery, controlled drug release
Procedia PDF Downloads 4792485 Effects of Polydispersity on the Glass Transition Dynamics of Aqueous Suspensions of Soft Spherical Colloidal Particles
Authors: Sanjay K. Behera, Debasish Saha, Paramesh Gadige, Ranjini Bandyopadhyay
Abstract:
The zero shear viscosity (η₀) of a suspension of hard sphere colloids characterized by a significant polydispersity (≈10%) increases with increase in volume fraction (ϕ) and shows a dramatic increase at ϕ=ϕg with the system entering a colloidal glassy state. Fragility which is the measure of the rapidity of approach of these suspensions towards the glassy state is sensitive to its size polydispersity and stiffness of the particles. Soft poly(N-isopropylacrylamide) (PNIPAM) particles deform in the presence of neighboring particles at volume fraction above the random close packing volume fraction of undeformed monodisperse spheres. Softness, therefore, enhances the packing efficiency of these particles. In this study PNIPAM particles of a nearly constant swelling ratio and with polydispersities varying over a wide range (7.4%-48.9%) are synthesized to study the effects of polydispersity on the dynamics of suspensions of soft PNIPAM colloidal particles. The size and polydispersity of these particles are characterized using dynamic light scattering (DLS) and scanning electron microscopy (SEM). As these particles are deformable, their packing in aqueous suspensions is quantified in terms of effective volume fraction (ϕeff). The zero shear viscosity (η₀) data of these colloidal suspensions, estimated from rheometric experiments as a function of the effective volume fraction ϕeff of the suspensions, increases with increase in ϕeff and shows a dramatic increase at ϕeff = ϕ₀. The data for η₀ as a function of ϕeff fits well to the Vogel-Fulcher-Tammann equation. It is observed that increasing polydispersity results in increasingly fragile supercooled liquid-like behavior, with the parameter ϕ₀, extracted from the fits to the VFT equation shifting towards higher ϕeff. The observed increase in fragility is attributed to the prevalence of dynamical heterogeneities (DHs) in these polydisperse suspensions, while the simultaneous shift in ϕ₀ is ascribed to the decoupling of the dynamics of the smallest and largest particles. Finally, it is observed that the intrinsic nonlinearity of these suspensions, estimated at the third harmonic near ϕ₀ in Fourier transform oscillatory rheological experiments, increases with increase in polydispersity. These results are in agreement with theoretical predictions and simulation results for polydisperse hard sphere colloidal glasses and clearly demonstrate that jammed suspensions of polydisperse colloidal particles can be effectively fluidized with increasing polydispersity. Suspensions of these particles are therefore excellent candidates for detailed experimental studies of the effects of polydispersity on the dynamics of glass formation.Keywords: dynamical heterogeneity, effective volume fraction, fragility, intrinsic nonlinearity
Procedia PDF Downloads 1602484 Artificial Intelligence Methods for Returns Expectations in Financial Markets
Authors: Yosra Mefteh Rekik, Younes Boujelbene
Abstract:
We introduce in this paper a new conceptual model representing the stock market dynamics. This model is essentially based on cognitive behavior of the intelligence investors. In order to validate our model, we build an artificial stock market simulation based on agent-oriented methodologies. The proposed simulator is composed of market supervisor agent essentially responsible for executing transactions via an order book and various kinds of investor agents depending to their profile. The purpose of this simulation is to understand the influence of psychological character of an investor and its neighborhood on its decision-making and their impact on the market in terms of price fluctuations. Therefore, the difficulty of the prediction is due to several features: the complexity, the non-linearity and the dynamism of the financial market system, as well as the investor psychology. The Artificial Neural Networks learning mechanism take on the role of traders, who from their futures return expectations and place orders based on their expectations. The results of intensive analysis indicate that the existence of agents having heterogeneous beliefs and preferences has provided a better understanding of price dynamics in the financial market.Keywords: artificial intelligence methods, artificial stock market, behavioral modeling, multi-agent based simulation
Procedia PDF Downloads 4402483 The Study of the Socio-Economic and Environmental Impact on the Semi-Arid Environments Using GIS in the Eastern Aurès, Algeria
Authors: Benmessaoud Hassen
Abstract:
We propose in this study to address the impact of socio-economic and environmental impact on the physical environment, especially their spatiotemporal dynamics in semi-arid and arid eastern Aurès. Including 11 municipalities, the study area spreads out over a relatively large surface area of about 60.000 ha. The hindsight is quite important and is determined by 03 days of analysis of environmental variation spread over thirty years (between 1987 and 2007). The multi-source data acquired in this context are integrated into a geographic information system (GIS).This allows, among other indices to calculate areas and classes for each thematic layer of the 4 layers previously defined by a method inspired MEDALUS (Mediterranean Desertification and Land Use).The database created is composed of four layers of information (population, livestock, farming and land use). His analysis in space and time has been supplemented by a validation of the ground truth. Once the database has corrected it used to develop the comprehensive map with the calculation of the index of socio-economic and environmental (ISCE). The map supports and the resulting information does not consist only of figures on the present situation but could be used to forecast future trends.Keywords: impact of socio-economic and environmental, spatiotemporal dynamics, semi-arid environments, GIS, Eastern Aurès
Procedia PDF Downloads 3162482 Gas Aggregation and Nanobubbles Stability on Substrates Influenced by Surface Wettability: A Molecular Dynamics Study
Authors: Tsu-Hsu Yen
Abstract:
The interfacial gas adsorption presents a frequent challenge and opportunity for micro-/nano-fluidic operation. In this study, we investigate the wettability, gas accumulation, and nanobubble formation on various homogeneous surface conditions by using MD simulation, including a series of 3D and quasi-2D argon-water-solid systems simulation. To precisely determine the wettability on various substrates, several indicators were calculated. Among these wettability indicators, the water PMF (potential of mean force) has the most correlation tendency with interfacial water molecular orientation than depletion layer width and droplet contact angle. The results reveal that the aggregation of argon molecules on substrates not only depending on the level of hydrophobicity but also determined by the competition between gas-solid and water-solid interaction as well as water molecular structure near the surface. In addition, the surface nanobubble is always observed coexisted with the gas enrichment layer. The water structure adjacent to water-gas and water-solid interfaces also plays an important factor in gas out-flux and gas aggregation, respectively. The quasi-2D simulation shows that only a slight difference in the curved argon-water interface from the plane interface which suggests no noticeable obstructing effect on gas outflux from the gas-water interfacial water networks.Keywords: gas aggregation, interfacial nanobubble, molecular dynamics simulation, wettability
Procedia PDF Downloads 1062481 Experimental and Computational Fluid Dynamics Analysis of Horizontal Axis Wind Turbine
Authors: Saim Iftikhar Awan, Farhan Ali
Abstract:
Wind power has now become one of the most important resources of renewable energy. The machine which extracts kinetic energy from wind is wind turbine. This work is all about the electrical power analysis of horizontal axis wind turbine to check the efficiency of different configurations of wind turbines to get maximum output and comparison of experimental and Computational Fluid Dynamics (CFD) results. Different experiments have been performed to obtain that configuration with the help of which we can get the maximum electrical power output by changing the different parameters like the number of blades, blade shape, wind speed, etc. in first step experimentation is done, and then the similar configuration is designed in 3D CAD software. After a series of experiments, it has been found that the turbine with four blades at an angle of 75° gives maximum power output and increase in wind speed increases the power output. The models designed on CAD software are imported on ANSYS-FLUENT to predict mechanical power. This mechanical power is then converted into electrical power, and the results were approximately the same in both cases. In the end, a comparison has been done to compare the results of experiments and ANSYS-FLUENT.Keywords: computational analysis, power efficiency, wind energy, wind turbine
Procedia PDF Downloads 1542480 Simulation Model for Optimizing Energy in Supply Chain Management
Authors: Nazli Akhlaghinia, Ali Rajabzadeh Ghatari
Abstract:
In today's world, with increasing environmental awareness, firms are facing severe pressure from various stakeholders, including the government and customers, to reduce their harmful effects on the environment. Over the past few decades, the increasing effects of global warming, climate change, waste, and air pollution have increased the global attention of experts to the issue of the green supply chain and led them to the optimal solution for greenery. Green supply chain management (GSCM) plays an important role in motivating the sustainability of the organization. With increasing environmental concerns, the main objective of the research is to use system thinking methodology and Vensim software for designing a dynamic system model for green supply chain and observing behaviors. Using this methodology, we look for the effects of a green supply chain structure on the behavioral dynamics of output variables. We try to simulate the complexity of GSCM in a period of 30 months and observe the complexity of behaviors of variables including sustainability, providing green products, and reducing energy consumption, and consequently reducing sample pollution.Keywords: supply chain management, green supply chain management, system dynamics, energy consumption
Procedia PDF Downloads 1352479 Assessing Arterial Blockages Using Animal Model and Computational Fluid Dynamics
Authors: Mohammad Al- Rawi, Ahmad Al- Jumaily
Abstract:
This paper investigates the effect of developing arterial blockage at the abdominal aorta on the blood pressure waveform at an externally accessible location suitable for invasive measurements such as the brachial and the femoral arteries. Arterial blockages are created surgically within the abdominal aorta of healthy Wistar rats to create narrowing resemblance conditions. Blood pressure waveforms are measured using a catheter inserted into the right femoral artery. Measurements are taken at the baseline healthy condition as well as at four different severities (20%, 50%, 80% and 100%) of arterial blockage. In vivo and in vitro measurements of the lumen diameter and wall thickness are taken using Magnetic Resonance Imaging (MRI) and microscopic techniques, respectively. These data are used to validate a 3D computational fluid dynamics model (CFD) which is developed to generalize the outcomes of this work and to determine the arterial stress and strain under the blockage conditions. This work indicates that an arterial blockage in excess of 20% of the lumen diameter significantly influences the pulse wave and reduces the systolic blood pressure at the right femoral artery. High wall shear stress and low circumferential strain are also generated at the blockage site.Keywords: arterial blockage, pulse wave, atherosclerosis, CFD
Procedia PDF Downloads 2792478 Prediction of Saturated Hydraulic Conductivity Dynamics in an Iowan Agriculture Watershed
Authors: Mohamed Elhakeem, A. N. Thanos Papanicolaou, Christopher Wilson, Yi-Jia Chang
Abstract:
In this study, a physically-based, modelling framework was developed to predict saturated hydraulic conductivity (KSAT) dynamics in the Clear Creek Watershed (CCW), Iowa. The modelling framework integrated selected pedotransfer functions and watershed models with geospatial tools. A number of pedotransfer functions and agricultural watershed models were examined to select the appropriate models that represent the study site conditions. Models selection was based on statistical measures of the models’ errors compared to the KSAT field measurements conducted in the CCW under different soil, climate and land use conditions. The study has shown that the predictions of the combined pedotransfer function of Rosetta and the Water Erosion Prediction Project (WEPP) provided the best agreement to the measured KSAT values in the CCW compared to the other tested models. Therefore, Rosetta and WEPP were integrated with the Geographic Information System (GIS) tools for visualization of the data in forms of geospatial maps and prediction of KSAT variability in CCW due to the seasonal changes in climate and land use activities.Keywords: saturated hydraulic conductivity, pedotransfer functions, watershed models, geospatial tools
Procedia PDF Downloads 2542477 Computational Study of Blood Flow Analysis for Coronary Artery Disease
Authors: Radhe Tado, Ashish B. Deoghare, K. M. Pandey
Abstract:
The aim of this study is to estimate the effect of blood flow through the coronary artery in human heart so as to assess the coronary artery disease.Velocity, wall shear stress (WSS), strain rate and wall pressure distribution are some of the important hemodynamic parameters that are non-invasively assessed with computational fluid dynamics (CFD). These parameters are used to identify the mechanical factors responsible for the plaque progression and/or rupture in left coronary arteries (LCA) in coronary arteries.The initial step for CFD simulations was the construction of a geometrical model of the LCA. Patient specific artery model is constructed using computed tomography (CT) scan data with the help of MIMICS Research 19.0. For CFD analysis ANSYS FLUENT-14.5 is used.Hemodynamic parameters were quantified and flow patterns were visualized both in the absence and presence of coronary plaques. The wall pressure continuously decreased towards distal segments and showed pressure drops in stenotic segments. Areas of high WSS and high flow velocities were found adjacent to plaques deposition.Keywords: angiography, computational fluid dynamics (CFD), time-average wall shear stress (TAWSS), wall pressure, wall shear stress (WSS)
Procedia PDF Downloads 1802476 Cannabis Sativa L as Natural Source of Promising Anti-Alzheimer Drug Candidates: A Comprehensive Computational Approach Including Molecular Docking, Molecular Dynamics, ADMET and MM-PBSA Studies
Authors: Hassan Nour, Nouh Mounadi, Oussama Abchir, Belaidi Salah, Samir Chtita
Abstract:
Cholinesterase enzymes are biological catalysts essential for the transformation of acetylcholine, which is a neurotransmitter implicated in memory and learning, into acetic acid and choline, altering the neurotransmission process in Alzheimer’s disease patients. Therefore, inhibition of cholinesterase enzymes is a relevant strategy for the symptomatic treatment of Alzheimer’s disease. The current investigation aims to explore potential cholinesterase (ChE) inhibitors through a comprehensive computational approach. Forty-nine phytoconstituents extracted from Cannabis sativa L. were in-silico screened using molecular docking and pharmacokinetic and toxicological analysis to evaluate their possible inhibitory effect on the cholinesterase enzymes. Two phytoconstituents belonging to cannabinoid derivatives were revealed to be promising candidates for Alzheimer's therapy by acting as cholinesterase inhibitors. They have exhibited high binding affinities towards the cholinesterase enzymes and showed their ability to interact with key residues involved in cholinesterase enzymatic activity. In addition, they presented good ADMET profiles allowing them to be promising oral drug candidates. Furthermore, molecular dynamics (MD) simulations were executed to explore their interaction stability under mimetic biological conditions and thus support our findings. To corroborate the docking results, the binding free energy corresponding to the more stable ligand-ChE complexes was re-estimated by applying the MM-PBSA method. MD and MM-PBSA studies affirmed that the ligand-ChE recognition is a spontaneous reaction leading to stable complexes. The conducted investigations have led to great findings that would strongly guide the pharmaceutical industries toward the rational development of potent anti-Alzheimer agents.Keywords: Alzheimer’s disease, molecular docking, Cannabis sativa L., cholinesterase inhibitors, molecular dynamics, ADMET, MM-PBSA
Procedia PDF Downloads 742475 Segregation Patterns of Trees and Grass Based on a Modified Age-Structured Continuous-Space Forest Model
Authors: Jian Yang, Atsushi Yagi
Abstract:
Tree-grass coexistence system is of great importance for forest ecology. Mathematical models are being proposed to study the dynamics of tree-grass coexistence and the stability of the systems. However, few of the models concentrates on spatial dynamics of the tree-grass coexistence. In this study, we modified an age-structured continuous-space population model for forests, obtaining an age-structured continuous-space population model for the tree-grass competition model. In the model, for thermal competitions, adult trees can out-compete grass, and grass can out-compete seedlings. We mathematically studied the model to make sure tree-grass coexistence solutions exist. Numerical experiments demonstrated that a fraction of area that trees or grass occupies can affect whether the coexistence is stable or not. We also tried regulating the mortality of adult trees with other parameters and the fraction of area trees and grass occupies were fixed; results show that the mortality of adult trees is also a factor affecting the stability of the tree-grass coexistence in this model.Keywords: population-structured models, stabilities of ecosystems, thermal competitions, tree-grass coexistence systems
Procedia PDF Downloads 1482474 Study on Constitutive Model of Particle Filling Material Considering Volume Expansion
Authors: Xu Jinsheng, Tong Xin, Zheng Jian, Zhou Changsheng
Abstract:
The NEPE (nitrate ester plasticized polyether) propellant is a kind of particle filling material with relatively high filling fraction. The experimental results show that the microcracks, microvoids and dewetting can cause the stress softening of the material. In this paper, a series of mechanical testing in inclusion with CCD technique were conducted to analyze the evolution of internal defects of propellant. The volume expansion function of the particle filling material was established by measuring of longitudinal and transverse strain with optical deformation measurement system. By analyzing the defects and internal damages of the material, a visco-hyperelastic constitutive model based on free energy theory was proposed incorporating damage function. The proposed constitutive model could accurately predict the mechanical properties of uniaxial tensile tests and tensile-relaxation tests.Keywords: dewetting, constitutive model, uniaxial tensile tests, visco-hyperelastic, nonlinear
Procedia PDF Downloads 2932473 Financial Centers and BRICS Stock Markets: The Effect of the Recent Crises
Authors: Marco Barassi, Nicola Spagnolo
Abstract:
This paper uses a DCC-GARCH model framework to examine mean and volatility spillovers (i.e. causality in mean and variance) dynamics between financial centers and the stock market indexes of the BRICS countries. In addition, tests for changes in the transmission mechanism are carried out by first testing for structural breaks and then setting a dummy variable to control for the 2008 financial crises. We use weekly data for nine countries, four financial centers (Germany, Japan, UK and USA) and the five BRICS countries (Brazil, Russia, India, China and South Africa). Furthermore, we control for monetary policy using domestic interest rates (90-day Treasury Bill interest rate) over the period 03/1/1990 - 04/2/2014, for a total of 1204 observations. Results show that the 2008 financial crises changed the causality dynamics for most of the countries considered. The same pattern can also be observed in conditional correlation showing a shift upward following the turbulence associated to the 2008 crises. The magnitude of these effects suggests a leading role played by the financial centers in effecting Brazil and South Africa, whereas Russia, India and China show a higher degree of resilience.Keywords: financial crises, DCC-GARCH model, volatility spillovers, economics
Procedia PDF Downloads 3532472 A Two-Dimensional Problem Micropolar Thermoelastic Medium under the Effect of Laser Irradiation and Distributed Sources
Authors: Devinder Singh, Rajneesh Kumar, Arvind Kumar
Abstract:
The present investigation deals with the deformation of micropolar generalized thermoelastic solid subjected to thermo-mechanical loading due to a thermal laser pulse. Laplace transform and Fourier transform techniques are used to solve the problem. Thermo-mechanical laser interactions are taken as distributed sources to describe the application of the approach. The closed form expressions of normal stress, tangential stress, coupled stress and temperature are obtained in the domain. Numerical inversion technique of Laplace transform and Fourier transform has been implied to obtain the resulting quantities in the physical domain after developing a computer program. The normal stress, tangential stress, coupled stress and temperature are depicted graphically to show the effect of relaxation times. Some particular cases of interest are deduced from the present investigation.Keywords: pulse laser, integral transform, thermoelastic, boundary value problem
Procedia PDF Downloads 6082471 CFD Analysis of Flow Regimes of Non-Newtonian Liquids in Chemical Reactor
Authors: Nenashev Yaroslav, Russkin Oleg
Abstract:
The mixing process is one of the most important and critical stages in many industrial sectors, such as chemistry, pharmaceuticals, and the food industry. When designing equipment with mixing impellers, technology developers often encounter working environments with complex physical properties and rheology. In such cases, the use of computational fluid dynamics tools is an excellent solution to mitigate risks and ensure the stable operation of the equipment. The research focuses on one of the designed reactors with mixing impellers intended for polymer synthesis. The study describes an approach to modeling reactors of similar configurations, taking into account the complex properties of the mixed liquids using the computational fluid dynamics (CFD) method. To achieve this goal, a complex 3D model was created, accurately replicating the functionality of chemical equipment. The model allows for the assessment of the hydrodynamic behavior of the reaction mixture inside the reactor, consideration of heat release due to the reaction, and the heat exchange between the reaction mixture and the cooling medium. The results indicate that the choice of the type and size of the mixing device significantly affects the efficiency of the mixing process inside the chemical reactor.Keywords: CFD, mixing, blending, chemical reactor, non-Newton liquids, polymers
Procedia PDF Downloads 222470 CFD Simulation on Gas Turbine Blade and Effect of Twisted Hole Shape on Film Cooling Effectiveness
Authors: Thulodin Mat Lazim, Aminuddin Saat, Ammar Fakhir Abdulwahid, Zaid Sattar Kareem
Abstract:
Film cooling is one of the cooling systems investigated for the application to gas turbine blades. Gas turbines use film cooling in addition to turbulence internal cooling to protect the blades outer surface from hot gases. The present study concentrates on the numerical investigation of film cooling performance for a row of twisted cylindrical holes in modern turbine blade. The adiabatic film effectiveness and the heat transfer coefficient are determined numerical on a flat plate downstream of a row of inclined different cross section area hole exit by using Computational Fluid Dynamics (CFD). The swirling motion of the film coolant was induced the twisted angle of film cooling holes, which inclined an angle of α toward the vertical direction and surface of blade turbine. The holes angle α of the impingement mainstream was changed from 90°, 65°, 45°, 30° and 20°. The film cooling effectiveness on surface of blade turbine wall was measured by using 3D Computational Fluid Dynamics (CFD). Results showed that the effectiveness of rectangular twisted hole has the effectiveness among other cross section area of the hole at blowing ratio (0.5, 1, 1.5 and 2).Keywords: turbine blade cooling, film cooling, geometry shape of hole, turbulent flow
Procedia PDF Downloads 5332469 Impact of Construction Risk Factors into Actual Construction Price in PPP Projects
Authors: Saleh Alzahrani, Halim Boussabaine
Abstract:
The majority of Public Private Partnership (PPP) are developed based on the rationale that the design, construction, operation, and financing of a public project is to be awarded to a private party within a single contractual framework. PPP project risks normally include the development and construction of a new asset as well as its operation for decades. Undoubtedly the most serious consequences of risks during the construction period are price and time overruns. These events are amongst the most broadly used scenarios in value for money analysis risks. The sources of risk change over the life cycle of a PPP project. In traditional procurement, the public sector normally has to cover all price distress from these risks. At least there is plenty evidence to suggest that price distress is a norm in some of the projects that are delivered under traditional procurement. This paper will find the impact of construction risk factors into actual construction price into PPP projects. The paper will present a brief literature review on PPP risk pricing strategies, and then using system dynamics (SD) to analyses of the risks associated with the estimated project price. Based on the finding from these analyses a risk pricing association model is presented and discussed. The paper concludes with thoughts for future research.Keywords: Public Private Partnership (PPP), Risk, Risk Pricing, System Dynamics (SD), construction price
Procedia PDF Downloads 5572468 Single-Molecule Analysis of Structure and Dynamics in Polymer Materials by Super-Resolution Technique
Authors: Hiroyuki Aoki
Abstract:
The physical properties of polymer materials are dependent on the conformation and molecular motion of a polymer chain. Therefore, the structure and dynamic behavior of the single polymer chain have been the most important concerns in the field of polymer physics. However, it has been impossible to directly observe the conformation of the single polymer chain in a bulk medium. In the current work, the novel techniques to study the conformation and dynamics of a single polymer chain are proposed. Since a fluorescence method is extremely sensitive, the fluorescence microscopy enables the direct detection of a single molecule. However, the structure of the polymer chain as large as 100 nm cannot be resolved by conventional fluorescence methods because of the diffraction limit of light. In order to observe the single chains, we developed the labeling method of polymer materials with a photo-switchable dye and the super-resolution microscopy. The real-space conformational analysis of single polymer chains with the spatial resolution of 15-20 nm was achieved. The super-resolution microscopy enables us to obtain the three-dimensional coordinates; therefore, we succeeded the conformational analysis in three dimensions. The direct observation by the nanometric optical microscopy would reveal the detailed information on the molecular processes in the various polymer systems.Keywords: polymer materials, single molecule, super-resolution techniques, conformation
Procedia PDF Downloads 2982467 A Predictive Model for Turbulence Evolution and Mixing Using Machine Learning
Authors: Yuhang Wang, Jorg Schluter, Sergiy Shelyag
Abstract:
The high cost associated with high-resolution computational fluid dynamics (CFD) is one of the main challenges that inhibit the design, development, and optimisation of new combustion systems adapted for renewable fuels. In this study, we propose a physics-guided CNN-based model to predict turbulence evolution and mixing without requiring a traditional CFD solver. The model architecture is built upon U-Net and the inception module, while a physics-guided loss function is designed by introducing two additional physical constraints to allow for the conservation of both mass and pressure over the entire predicted flow fields. Then, the model is trained on the Large Eddy Simulation (LES) results of a natural turbulent mixing layer with two different Reynolds number cases (Re = 3000 and 30000). As a result, the model prediction shows an excellent agreement with the corresponding CFD solutions in terms of both spatial distributions and temporal evolution of turbulent mixing. Such promising model prediction performance opens up the possibilities of doing accurate high-resolution manifold-based combustion simulations at a low computational cost for accelerating the iterative design process of new combustion systems.Keywords: computational fluid dynamics, turbulence, machine learning, combustion modelling
Procedia PDF Downloads 852466 Electronic Stability Control for a 7 DOF Vehicle Model Using Flex Ray and Neuro Fuzzy Techniques
Authors: Praveen Battula
Abstract:
Any high performance car has the tendency to over steer and Understeer under slippery conditions, An Electronic Stability Control System is needed under these conditions to regulate the steering of the car. It uses Anti-Lock Braking System (ABS) and Traction Control and Wheel Speed Sensor, Steering Angle Sensor, Rotational Speed Sensors to correct the problems. The focus of this paper is to improve the driving dynamics and safety by controlling the forces applied on each wheel. ESC Control the Yaw Stability, traction controls the Roll Stability, where actually the vehicle slip rate and lateral acceleration is controlled. ESC uses differential braking on all four brakes independently to control the vehicle’s motion. A mathematical model is developed in Simulink for the FlexRay based Electronic Stability Control. Vehicle steering is developed using Neuro Fuzzy Logic Controller. 7 Degrees of Freedom Vehicle Model is used as a Plant Model using dSpace autobox. The Performance of the system is assessed using two different road Scenarios, Vehicle Control under standard maneuvering conditions. The entire system is set using Dspace Control Desk. Results are provided by comparison of how a Vehicle with and without Electronic Stability Control which shows an improved performance in control.Keywords: ESC, flexray, chassis control, steering, neuro fuzzy, vehicle dynamics
Procedia PDF Downloads 4422465 Aerodynamics of Spherical Combat Platform Levitation
Authors: Aelina Franz
Abstract:
In recent years, the scientific community has witnessed a paradigm shift in the exploration of unconventional levitation methods, particularly in the domain of spherical combat platforms. This paper explores aerodynamics and levitational dynamics inherent in these spheres by examining interactions at the quantum level. Our research unravels the nuanced aerodynamic phenomena governing the levitation of spherical combat platforms. Through an analysis of the quantum fluid dynamics surrounding these spheres, we reveal the crucial interactions between air resistance, surface irregularities, and the quantum fluctuations that influence their levitational behavior. Our findings challenge conventional understanding, providing a perspective on the aerodynamic forces at play during the levitation of spherical combat platforms. Furthermore, we propose design modifications and control strategies informed by both classical aerodynamics and quantum information processing principles. These advancements not only enhance the stability and maneuverability of the combat platforms but also open new avenues for exploration in the interdisciplinary realm of engineering and quantum information sciences. This paper aims to contribute to levitation technologies and their applications in the field of spherical combat platforms. We anticipate that our work will stimulate further research to create a deeper understanding of aerodynamics and quantum phenomena in unconventional levitation systems.Keywords: spherical combat platforms, levitation technologies, aerodynamics, maneuverable platforms
Procedia PDF Downloads 432464 Non-Centrifugal Cane Sugar Production: Heat Transfer Study to Optimize the Use of Energy
Authors: Fabian Velasquez, John Espitia, Henry Hernadez, Sebastian Escobar, Jader Rodriguez
Abstract:
Non-centrifuged cane sugar (NCS) is a concentrated product obtained through the evaporation of water contain from sugarcane juice inopen heat exchangers (OE). The heat supplied to the evaporation stages is obtained from the cane bagasse through the thermochemical process of combustion, where the thermal energy released is transferred to OE by the flue gas. Therefore, the optimization of energy usage becomes essential for the proper design of the production process. For optimize the energy use, it is necessary modeling and simulation of heat transfer between the combustion gases and the juice and to understand the major mechanisms involved in the heat transfer. The main objective of this work was simulated heat transfer phenomena between the flue gas and open heat exchangers using Computational Fluid Dynamics model (CFD). The simulation results were compared to field measured data. Numerical results about temperature profile along the flue gas pipeline at the measurement points are in good accordance with field measurements. Thus, this study could be of special interest in design NCS production process and the optimization of the use of energy.Keywords: mathematical modeling, design variables, computational fluid dynamics, overall thermal efficiency
Procedia PDF Downloads 1182463 Analytical Investigation of Viscous and Non-Viscous Fluid Particles in a Restricted Region Using Diffusion Magnetic Resonance Imaging Equation
Authors: Yusuf, S. I., Saba, A., Olaoye, D. O., Ibrahim J. A., Yahaya H. M., Jatto A. O
Abstract:
Nuclear Magnetic Resonance (NMR) technology has been applied in several ways to provide vital information about petro-physical properties of reservoirs. However, due to the need to study the molecular behaviours of particles of the fluids in different restricted media, diffusion magnetic resonance equation is hereby applied in spherical coordinates and solved analytically using the method of separation of variables and solution of Legendre equation by Frobenius method. The viscous fluid considered in this research work is unused oil while the non-viscous fluid is water. The results obtained show that water begins to manifest appreciable change at radial adjustment value of 10 and Magnetization of 2.31191995400015x1014 and relaxes finally at 2.30x1014 at radial adjustment value of 1. On the other hand, unused engine oil begins to manifest its changes at radial adjustment value of 40 and Magnetization of 1.466557018x1014and relaxes finally at 1.48x1014 at radial adjustment value of 5.Keywords: viscous and non-viscous fluid, restricted medium, relaxation times, coefficient of diffusion
Procedia PDF Downloads 742462 Predictive Analytics in Traffic Flow Management: Integrating Temporal Dynamics and Traffic Characteristics to Estimate Travel Time
Authors: Maria Ezziani, Rabie Zine, Amine Amar, Ilhame Kissani
Abstract:
This paper introduces a predictive model for urban transportation engineering, which is vital for efficient traffic management. Utilizing comprehensive datasets and advanced statistical techniques, the model accurately forecasts travel times by considering temporal variations and traffic dynamics. Machine learning algorithms, including regression trees and neural networks, are employed to capture sequential dependencies. Results indicate significant improvements in predictive accuracy, particularly during peak hours and holidays, with the incorporation of traffic flow and speed variables. Future enhancements may integrate weather conditions and traffic incidents. The model's applications range from adaptive traffic management systems to route optimization algorithms, facilitating congestion reduction and enhancing journey reliability. Overall, this research extends beyond travel time estimation, offering insights into broader transportation planning and policy-making realms, empowering stakeholders to optimize infrastructure utilization and improve network efficiency.Keywords: predictive analytics, traffic flow, travel time estimation, urban transportation, machine learning, traffic management
Procedia PDF Downloads 732461 A Study on Thermal and Flow Characteristics by Solar Radiation for Single-Span Greenhouse by Computational Fluid Dynamics Simulation
Authors: Jonghyuk Yoon, Hyoungwoon Song
Abstract:
Recently, there are lots of increasing interest in a smart farming that represents application of modern Information and Communication Technologies (ICT) into agriculture since it provides a methodology to optimize production efficiencies by managing growing conditions of crops automatically. In order to obtain high performance and stability for smart greenhouse, it is important to identify the effect of various working parameters such as capacity of ventilation fan, vent opening area and etc. In the present study, a 3-dimensional CFD (Computational Fluid Dynamics) simulation for single-span greenhouse was conducted using the commercial program, Ansys CFX 18.0. The numerical simulation for single-span greenhouse was implemented to figure out the internal thermal and flow characteristics. In order to numerically model solar radiation that spread over a wide range of wavelengths, the multiband model that discretizes the spectrum into finite bands of wavelength based on Wien’s law is applied to the simulation. In addition, absorption coefficient of vinyl varied with the wavelength bands is also applied based on Beer-Lambert Law. To validate the numerical method applied herein, the numerical results of the temperature at specific monitoring points were compared with the experimental data. The average error rates (12.2~14.2%) between them was shown and numerical results of temperature distribution are in good agreement with the experimental data. The results of the present study can be useful information for the design of various greenhouses. This work was supported by Korea Institute of Planning and Evaluation for Technology in Food, Agriculture, Forestry and Fisheries (IPET) through Advanced Production Technology Development Program, funded by Ministry of Agriculture, Food and Rural Affairs (MAFRA)(315093-03).Keywords: single-span greenhouse, CFD (computational fluid dynamics), solar radiation, multiband model, absorption coefficient
Procedia PDF Downloads 1312460 The Dynamics of Algeria’s Natural Gas Exports to Europe: Evidence from ARDL Bounds Testing Approach with Breakpoints
Authors: Hicham Benamirouche, Oum Elkheir Moussi
Abstract:
The purpose of the study is to examine the dynamics of Algeria’s natural gas exports through the Autoregressive Distributed Lag (ARDL) bounds testing approach with break points. The analysis was carried out for the period from 1967 to 2015. Based on imperfect substitution specification, the ARDL approach reveals a long-run equilibrium relationship between Algeria’s Natural gas exports and their determinant factors (Algeria’s gas reserves, Domestic gas consumption, Europe’s GDP per capita, relative prices, the European gas production and the market share of competitors). All the long-run elasticities estimated are statistically significant with a large impact of domestic factors, which constitute the supply constraints. In short term, the elasticities are statistically significant, and almost comparable to those of the long term. Furthermore, the speed of adjustment towards long-run equilibrium is less than one year because of the little flexibility of the long term export contracts. Two break points have been estimated when we employ the domestic gas consumption as a break variable; 1984 and 2010, which reflect the arbitration policy between the domestic gas market and gas exports.Keywords: natural gas exports, elasticity, ARDL bounds testing, break points, Algeria
Procedia PDF Downloads 189