Search results for: computational aerodynamics
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2072

Search results for: computational aerodynamics

1802 Nonlinear Dynamic Response of Helical Gear with Torque-Limiter

Authors: Ahmed Guerine, Ali El Hafidi, Bruno Martin, Philippe Leclaire

Abstract:

This paper investigates the nonlinear dynamic response of a mechanical torque limiter which is used to protect drive parts from overload (helical transmission gears). The system is driven by four excitations: two external excitations (aerodynamics torque and force) and two internal excitations (two mesh stiffness fluctuations). In this work, we develop a dynamic model with lumped components and 28 degrees of freedom. We use the Runge Kutta step-by-step time integration numerical algorithm to solve the equations of motion obtained by Lagrange formalism. The numerical results have allowed us to identify the sources of vibration in the wind turbine. Also, they are useful to help the designer to make the right design and correctly choose the times for maintenance.

Keywords: two-stage helical gear, lumped model, dynamic response, torque-limiter

Procedia PDF Downloads 341
1801 Aerodynamic Heating Analysis of Hypersonic Flow over Blunt-Nosed Bodies Using Computational Fluid Dynamics

Authors: Aakash Chhunchha, Assma Begum

Abstract:

The qualitative aspects of hypersonic flow over a range of blunt bodies have been extensively analyzed in the past. It is well known that the curvature of a body’s geometry in the sonic region predominantly dictates the bow shock shape and its standoff distance from the body, while the surface pressure distribution depends on both the sonic region and on the local body shape. The present study is an extension to analyze the hypersonic flow characteristics over several blunt-nosed bodies using modern Computational Fluid Dynamics (CFD) tools to determine the shock shape and its effect on the heat flux around the body. 4 blunt-nosed models with cylindrical afterbodies were analyzed for a flow at a Mach number of 10 corresponding to the standard atmospheric conditions at an altitude of 50 km. The nose radii of curvature of the models range from a hemispherical nose to a flat nose. Appropriate numerical models and the supplementary convergence techniques that were implemented for the CFD analysis are thoroughly described. The flow contours are presented highlighting the key characteristics of shock wave shape, shock standoff distance and the sonic point shift on the shock. The variation of heat flux, due to different shock detachments for various models is comprehensively discussed. It is observed that the more the bluntness of the nose radii, the farther the shock stands from the body; and consequently, the less the surface heating at the nose. The results obtained from the CFD analyses are compared with approximated theoretical engineering correlations. Overall, a satisfactory agreement is observed between the two.

Keywords: aero-thermodynamics, blunt-nosed bodies, computational fluid dynamics (CFD), hypersonic flow

Procedia PDF Downloads 128
1800 On the Accuracy of Basic Modal Displacement Method Considering Various Earthquakes

Authors: Seyed Sadegh Naseralavi, Sadegh Balaghi, Ehsan Khojastehfar

Abstract:

Time history seismic analysis is supposed to be the most accurate method to predict the seismic demand of structures. On the other hand, the required computational time of this method toward achieving the result is its main deficiency. While being applied in optimization process, in which the structure must be analyzed thousands of time, reducing the required computational time of seismic analysis of structures makes the optimization algorithms more practical. Apparently, the invented approximate methods produce some amount of errors in comparison with exact time history analysis but the recently proposed method namely, Complete Quadratic Combination (CQC) and Sum Root of the Sum of Squares (SRSS) drastically reduces the computational time by combination of peak responses in each mode. In the present research, the Basic Modal Displacement (BMD) method is introduced and applied towards estimation of seismic demand of main structure. Seismic demand of sampled structure is estimated by calculation of modal displacement of basic structure (in which the modal displacement has been calculated). Shear steel sampled structures are selected as case studies. The error applying the introduced method is calculated by comparison of the estimated seismic demands with exact time history dynamic analysis. The efficiency of the proposed method is demonstrated by application of three types of earthquakes (in view of time of peak ground acceleration).

Keywords: time history dynamic analysis, basic modal displacement, earthquake-induced demands, shear steel structures

Procedia PDF Downloads 347
1799 Bio-Guided of Active New Alkaloids from Alstonia Brassi Toxicity Antitumour Activity in Silico and Molecular Modeling

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

Abstract:

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

Keywords: affinisine, talcarpine, macroline, cytotoxicity, alkaloids

Procedia PDF Downloads 261
1798 Assessment of Fluid Flow Hydrodynamics for Cylindrical and Conical Fluidized Bed Reactor

Authors: N. G. Thangan, A. B. Deoghare, P. M. Padole

Abstract:

Computational Fluid Dynamics (CFD) aids in modeling the prototype of a real world processes. CFD approach is useful in predicting the fluid flow, heat transfer mass transfer and other flow related phenomenon. In present study, hydrodynamic characteristics of gas-solid cylindrical fluidized bed is compared with conical fluidized beds. A 2D fluidized bed consists of different configurations of particle size of iron oxide, bed height and superficial velocities of nitrogen. Simulations are performed to capture the complex physics associated with it. The Eulerian multiphase model is prepared in ANSYS FLUENT v.14 which is used to simulate fluidization process. It is analyzed with nitrogen as primary phase and iron oxide as secondary phase. The bed hydrodynamics is assessed prominently to examine effect on fluidization time, pressure drop, minimum fluidization velocity, and gas holdup in the system.

Keywords: fluidized bed, bed hydrodynamics, Eulerian multiphase approach, computational fluid dynamics

Procedia PDF Downloads 439
1797 Multidisciplinary and Multilevel Design Methodology of Unmanned Aerial Vehicles using Enhanced Collaborative Optimization

Authors: Pedro F. Albuquerque, Pedro V. Gamboa, Miguel A. Silvestre

Abstract:

The present work describes the implementation of the Enhanced Collaborative Optimization (ECO) multilevel architecture with a gradient-based optimization algorithm with the aim of performing a multidisciplinary design optimization of a generic unmanned aerial vehicle with morphing technologies. The concepts of weighting coefficient and a dynamic compatibility parameter are presented for the ECO architecture. A routine that calculates the aircraft performance for the user defined mission profile and vehicle’s performance requirements has been implemented using low fidelity models for the aerodynamics, stability, propulsion, weight, balance and flight performance. A benchmarking case study for evaluating the advantage of using a variable span wing within the optimization methodology developed is presented.

Keywords: multidisciplinary, multilevel, morphing, enhanced collaborative optimization

Procedia PDF Downloads 916
1796 Utilizing Grid Computing to Enhance Power Systems Performance

Authors: Rafid A. Al-Khannak, Fawzi M. Al-Naima

Abstract:

Power load is one of the most important controlling keys which decide power demands and illustrate power usage to shape power market. Hence, power load forecasting is the parameter which facilitates understanding and analyzing all these aspects. In this paper, power load forecasting is solved under MATLAB environment by constructing a neural network for the power load to find an accurate simulated solution with the minimum error. A developed algorithm to achieve load forecasting application with faster technique is the aim for this paper. The algorithm is used to enable MATLAB power application to be implemented by multi machines in the Grid computing system, and to accomplish it within much less time, cost and with high accuracy and quality. Grid Computing, the modern computational distributing technology, has been used to enhance the performance of power applications by utilizing idle and desired Grid contributor(s) by sharing computational power resources.

Keywords: DeskGrid, Grid Server, idle contributor(s), grid computing, load forecasting

Procedia PDF Downloads 461
1795 Analysis of Vortical Structures Generated by the Swirler of Combustion Chamber

Authors: Vladislav A. Nazukin, Valery G. Avgustinovich, Vakhtang V. Tsatiashvili

Abstract:

The most important part of modern lean low NOx combustors is a premixer where swirlers are often used for intensification of mixing processes and further formation of required flow pattern in combustor liner. Swirling flow leads to formation of complex eddy structures causing flow perturbations. It is able to cause combustion instability. Therefore, at design phase, it is necessary to pay great attention to aerodynamics of premixers. Analysis based on unsteady CFD modeling of swirling flow in production combustor swirler showed presence of large number of different eddy structures that can be conditionally divided into three types relative to its location of origin and a propagation path. Further, features of each eddy type were subsequently defined. Comparison of calculated and experimental pressure fluctuations spectrums verified correctness of computations.

Keywords: DES simulation, swirler, vortical structures, combustion chamber

Procedia PDF Downloads 344
1794 Winged Test Rocket with Fully Autonomous Guidance and Control for Realizing Reusable Suborbital Vehicle

Authors: Koichi Yonemoto, Hiroshi Yamasaki, Masatomo Ichige, Yusuke Ura, Guna S. Gossamsetti, Takumi Ohki, Kento Shirakata, Ahsan R. Choudhuri, Shinji Ishimoto, Takashi Mugitani, Hiroya Asakawa, Hideaki Nanri

Abstract:

This paper presents the strategic development plan of winged rockets WIRES (WInged REusable Sounding rocket) aiming at unmanned suborbital winged rocket for demonstrating future fully reusable space transportation technologies, such as aerodynamics, Navigation, Guidance and Control (NGC), composite structure, propulsion system, and cryogenic tanks etc., by universities in collaboration with government and industries, as well as the past and current flight test results.

Keywords: autonomous guidance and control, reusable rocket, space transportation system, suborbital vehicle, winged rocket

Procedia PDF Downloads 349
1793 Computational Investigation of V599 Mutations of BRAF Protein and Its Control over the Therapeutic Outcome under the Malignant Condition

Authors: Mayank, Navneet Kaur, Narinder Singh

Abstract:

The V599 mutations in the BRAF protein are extremely oncogenic, responsible for countless of malignant conditions. Along with wild type, V599E, V599D, and V599R are the important mutated variants of the BRAF proteins. The BRAF inhibitory anticancer agents are continuously developing, and sorafenib is a BRAF inhibitor that is under clinical use. The crystal structure of sorafenib bounded to wild type, and V599 is known, showing a similar interaction pattern in both the case. The mutated 599th residue, in both the case, is also found not interacting directly with the co-crystallized sorafenib molecule. However, the IC50 value of sorafenib was found extremely different in both the case, i.e., 22 nmol/L for wild and 38 nmol/L for V599E protein. Molecular docking study and MMGBSA binding energy results also revealed a significant difference in the binding pattern of sorafenib in both the case. Therefore, to explore the role of distinctively situated 599th residue, we have further conducted comprehensive computational studies. The molecular dynamics simulation, residue interaction network (RIN) analysis, and residue correlation study results revealed the importance of the 599th residue on the therapeutic outcome and overall dynamic of the BRAF protein. Therefore, although the position of 599th residue is very much distinctive from the ligand-binding cavity of BRAF, still it has exceptional control over the overall functional outcome of the protein. The insight obtained here may seem extremely important and guide us while designing ideal BRAF inhibitory anticancer molecules.

Keywords: BRAF, oncogenic, sorafenib, computational studies

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1792 Computational Fluid Dynamics Modeling of Liquefaction of Wood and It's Model Components Using a Modified Multistage Shrinking-Core Model

Authors: K. G. R. M. Jayathilake, S. Rudra

Abstract:

Wood degradation in hot compressed water is modeled with a Computational Fluid Dynamics (CFD) code using cellulose, xylan, and lignin as model compounds. Model compounds are reacted under catalyst-free conditions in a temperature range from 250 to 370 °C. Using a simplified reaction scheme where water soluble products, methanol soluble products, char like compounds and gas are generated through intermediates with each model compound. A modified multistage shrinking core model is developed to simulate particle degradation. In the modified shrinking core model, each model compound is hydrolyzed in separate stages. Cellulose is decomposed to glucose/oligomers before producing degradation products. Xylan is decomposed through xylose and then to degradation products where lignin is decomposed into soluble products before producing the total guaiacol, organic carbon (TOC) and then char and gas. Hydrolysis of each model compound is used as the main reaction of the process. Diffusion of water monomers to the particle surface to initiate hydrolysis and dissolution of the products in water is given importance during the modeling process. In the developed model the temperature variation depends on the Arrhenius relationship. Kinetic parameters from the literature are used for the mathematical model. Meanwhile, limited initial fast reaction kinetic data limit the development of more accurate CFD models. Liquefaction results of the CFD model are analyzed and validated using the experimental data available in the literature where it shows reasonable agreement.

Keywords: computational fluid dynamics, liquefaction, shrinking-core, wood

Procedia PDF Downloads 107
1791 Aircraft Pitch Attitude Control Using Backstepping

Authors: Labane Chrif

Abstract:

A nonlinear approach to the automatic pitch attitude control problem for aircraft transportation is presented. A nonlinear model describing the longitudinal equations of motion in strict feedback form is derived. Backstepping is utilized for the construction of a globally stabilizing controller with a number of free design parameters. The controller is evaluated using the aircraft transportation. The adaptation scheme proposed allowed us to design an explicit controller with a minimal knowledge of the aircraft aerodynamics. Finally, the simulation results will show that backstepping controller have better dynamic performance, simpler design, higher precision, easier implement, etc. At the same time, the control effect will be significantly improved. In addition, backstepping control is superior in short transition, good stability, anti-disturbance and good control.

Keywords: nonlinear control, backstepping, aircraft control, Lyapunov function, longitudinal model

Procedia PDF Downloads 566
1790 Aerodynamic Analysis by Computational Fluids Dynamics in Building: Case Study

Authors: Javier Navarro Garcia, Narciso Vazquez Carretero

Abstract:

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

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

Procedia PDF Downloads 130
1789 Computational, Human, and Material Modalities: An Augmented Reality Workflow for Building form Found Textile Structures

Authors: James Forren

Abstract:

This research paper details a recent demonstrator project in which digital form found textile structures were built by human craftspersons wearing augmented reality (AR) head-worn displays (HWDs). The project utilized a wet-state natural fiber / cementitious matrix composite to generate minimal bending shapes in tension which, when cured and rotated, performed as minimal-bending compression members. The significance of the project is that it synthesizes computational structural simulations with visually guided handcraft production. Computational and physical form-finding methods with textiles are well characterized in the development of architectural form. One difficulty, however, is physically building computer simulations: often requiring complicated digital fabrication workflows. However, AR HWDs have been used to build a complex digital form from bricks, wood, plastic, and steel without digital fabrication devices. These projects utilize, instead, the tacit knowledge motor schema of the human craftsperson. Computational simulations offer unprecedented speed and performance in solving complex structural problems. Human craftspersons possess highly efficient complex spatial reasoning motor schemas. And textiles offer efficient form-generating possibilities for individual structural members and overall structural forms. This project proposes that the synthesis of these three modalities of structural problem-solving – computational, human, and material - may not only develop efficient structural form but offer further creative potentialities when the respective intelligence of each modality is productively leveraged. The project methodology pertains to its three modalities of production: 1) computational, 2) human, and 3) material. A proprietary three-dimensional graphic statics simulator generated a three-legged arch as a wireframe model. This wireframe was discretized into nine modules, three modules per leg. Each module was modeled as a woven matrix of one-inch diameter chords. And each woven matrix was transmitted to a holographic engine running on HWDs. Craftspersons wearing the HWDs then wove wet cementitious chords within a simple falsework frame to match the minimal bending form displayed in front of them. Once the woven components cured, they were demounted from the frame. The components were then assembled into a full structure using the holographically displayed computational model as a guide. The assembled structure was approximately eighteen feet in diameter and ten feet in height and matched the holographic model to under an inch of tolerance. The construction validated the computational simulation of the minimal bending form as it was dimensionally stable for a ten-day period, after which it was disassembled. The demonstrator illustrated the facility with which computationally derived, a structurally stable form could be achieved by the holographically guided, complex three-dimensional motor schema of the human craftsperson. However, the workflow traveled unidirectionally from computer to human to material: failing to fully leverage the intelligence of each modality. Subsequent research – a workshop testing human interaction with a physics engine simulation of string networks; and research on the use of HWDs to capture hand gestures in weaving seeks to develop further interactivity with rope and chord towards a bi-directional workflow within full-scale building environments.

Keywords: augmented reality, cementitious composites, computational form finding, textile structures

Procedia PDF Downloads 163
1788 Countercurrent Flow Simulation of Gas-Solid System in a Purge Column Using Computational Fluid Dynamics Techniques

Authors: T. J. Jamaleddine

Abstract:

Purge columns or degasser vessels are widely used in the polyolefin process for removing trapped hydrocarbons and in-excess catalyst residues from the polymer particles. A uniform distribution of purged gases coupled with a plug-flow characteristic inside the column system is desirable to obtain optimum desorption characteristics of trapped hydrocarbon and catalyst residues. Computational Fluid Dynamics (CFD) approach is a promising tool for design optimization of these vessels. The success of this approach is profoundly dependent on the solution strategy and the choice of geometrical layout at the vessel outlet. Filling the column with solids and initially solving for the solids flow minimized numerical diffusion substantially. Adopting a cylindrical configuration at the vessel outlet resulted in less numerical instability and resembled the hydrodynamics flow of solids in the hopper segment reasonably well.

Keywords: CFD, degasser vessel, gas-solids flow, gas purging, purge column, species transport

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1787 Optimization of Urea Water Solution Injector for NH3 Uniformity Improvement in Urea-SCR System

Authors: Kyoungwoo Park, Gil Dong Kim, Seong Joon Moon, Ho Kil Lee

Abstract:

The Urea-SCR is one of the most efficient technologies to reduce NOx emissions in diesel engines. In the present work, the computational prediction of internal flow and spray characteristics in the Urea-SCR system was carried out by using 3D-CFD simulation to evaluate NH3 uniformity index (NH3 UI) and its activation time according to the official New European Driving Cycle (NEDC). The number of nozzle and its diameter, two types of injection directions, and penetration length were chosen as the design variables. The optimal solutions were obtained by coupling the CFD analysis with Taguchi method. The L16 orthogonal array and small-the-better characteristics of the Taguchi method were used, and the optimal values were confirmed to be valid with 95% confidence and 5% significance level through analysis of variance (ANOVA). The results show that the optimal solutions for the NH3 UI and activation time (NH3 UI 0.22) are obtained by 0.41 and 0,125 second, respectively, and their values are improved by 85.0% and 10.7%, respectively, compared with those of the base model.

Keywords: computational fluid dynamics, NH3 uniformity index, optimization, Taguchi method, Urea-SCR system, UWS injector

Procedia PDF Downloads 251
1786 Digital Homeostasis: Tangible Computing as a Multi-Sensory Installation

Authors: Andrea Macruz

Abstract:

This paper explores computation as a process for design by examining how computers can become more than an operative strategy in a designer's toolkit. It documents this, building upon concepts of neuroscience and Antonio Damasio's Homeostasis Theory, which is the control of bodily states through feedback intended to keep conditions favorable for life. To do this, it follows a methodology through algorithmic drawing and discusses the outcomes of three multi-sensory design installations, which culminated from a course in an academic setting. It explains both the studio process that took place to create the installations and the computational process that was developed, related to the fields of algorithmic design and tangible computing. It discusses how designers can use computational range to achieve homeostasis related to sensory data in a multi-sensory installation. The outcomes show clearly how people and computers interact with different sensory modalities and affordances. They propose using computers as meta-physical stabilizers rather than tools.

Keywords: algorithmic drawing, Antonio Damasio, emotion, homeostasis, multi-sensory installation, neuroscience

Procedia PDF Downloads 92
1785 Influence of Geometrical Parameters of a Wind Turbine on the Optimal Tip-Speed Ratio

Authors: Zdzislaw Piotr Kaminski, Miroslaw Wendeker, Zbigniew Czyz

Abstract:

The paper describes the geometric model, calculation algorithm and results of the CFD simulation of the airflow around a rotor in the vertical axis wind turbine (VAWT) with the ANSYS Fluent computational solver. The CFD method enables creating aerodynamic characteristics of forces acting on rotor working surfaces and determining parameters such as torque or power generated by the rotor assembly. The object of the research was a rotor whose construction is based on patent no.PL219985. The conducted tests enabled a mathematical model with a description of the generation of aerodynamic forces acting on each rotor blade. Additionally, this model was compared to the results of the wind tunnel tests. The analysis also focused on the influence of the blade angle on turbine power and the TSR. The research has shown that the turbine blade angle has a significant impact on the optimal value of the TSR.

Keywords: computational fluid dynamics, numerical analysis, renewable energy, wind turbine

Procedia PDF Downloads 142
1784 Numerical Investigation of Fluid Flow and Temperature Distribution on Power Transformer Windings Using Open Foam

Authors: Saeed Khandan Siar, Stefan Tenbohlen, Christian Breuer, Raphael Lebreton

Abstract:

The goal of this article is to investigate the detailed temperature distribution and the fluid flow of an oil cooled winding of a power transformer by means of computational fluid dynamics (CFD). The experimental setup consists of three passes of a zig-zag cooled disc type winding, in which losses are modeled by heating cartridges in each winding segment. A precise temperature sensor measures the temperature of each turn. The laboratory setup allows the exact control of the boundary conditions, e.g. the oil flow rate and the inlet temperature. Furthermore, a simulation model is solved using the open source computational fluid dynamics solver OpenFOAM and validated with the experimental results. The model utilizes the laminar and turbulent flow for the different mass flow rate of the oil. The good agreement of the simulation results with experimental measurements validates the model.

Keywords: CFD, conjugated heat transfer, power transformers, temperature distribution

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1783 A Density Functional Theory Computational Study on the Inhibiting Action of Some Derivatives of 1,8-Bis(Benzylideneamino)Naphthalene against Aluminum Corrosion

Authors: Taher S. Ababneh, Taghreed M. A. Jazzazi, Tareq M. A. Alshboul

Abstract:

The inhibiting action against aluminum corrosion by three derivatives of 1,8-bis (benzylideneamino) naphthalene (BN) Schiff base has been investigated by means of DFT quantum chemical calculations at the B3LYP/6-31G(d) level of theory. The derivatives (CBN, NBN and MBN) were prepared from the condensation reaction of 1,8-diaminonaphthalene with substituted benzaldehyde (4-CN, 3-NO₂ and 3,4-(OMe)₂, respectively). Calculations were conducted to study the adsorption of each Schiff base on aluminum surface to evaluate its potential as a corrosion inhibitor. The computational structural features and electronic properties of each derivative such as relative energies and energies of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) have been reported. Thermodynamic functions and quantum chemical parameters such as the hardness of the inhibitor, the softness and the electrophilicity index were calculated to determine the derivative of the highest inhibition efficiency.

Keywords: corrosion, aluminum, DFT calculation, 1, 8-diaminonaphthalene, benzaldehyde

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1782 Two Stage Assembly Flowshop Scheduling Problem Minimizing Total Tardiness

Authors: Ali Allahverdi, Harun Aydilek, Asiye Aydilek

Abstract:

The two stage assembly flowshop scheduling problem has lots of application in real life. To the best of our knowledge, the two stage assembly flowshop scheduling problem with total tardiness performance measure and separate setup times has not been addressed so far, and hence, it is addressed in this paper. Different dominance relations are developed and several algorithms are proposed. Extensive computational experiments are conducted to evaluate the proposed algorithms. The computational experiments have shown that one of the algorithms performs much better than the others. Moreover, the experiments have shown that the best performing algorithm performs much better than the best existing algorithm for the case of zero setup times in the literature. Therefore, the proposed best performing algorithm not only can be used for problems with separate setup times but also for the case of zero setup times.

Keywords: scheduling, assembly flowshop, total tardiness, algorithm

Procedia PDF Downloads 334
1781 Elitist Self-Adaptive Step-Size Search in Optimum Sizing of Steel Structures

Authors: Oğuzhan Hasançebi, Saeid Kazemzadeh Azad

Abstract:

This paper covers application of an elitist selfadaptive
step-size search (ESASS) to optimum design of steel
skeletal structures. In the ESASS two approaches are considered for
improving the convergence accuracy as well as the computational
efficiency of the original technique namely the so called selfadaptive
step-size search (SASS). Firstly, an additional randomness
is incorporated into the sampling step of the technique to preserve
exploration capability of the algorithm during the optimization.
Moreover, an adaptive sampling scheme is introduced to improve the
quality of final solutions. Secondly, computational efficiency of the
technique is accelerated via avoiding unnecessary analyses during the
optimization process using an upper bound strategy. The numerical
results demonstrate the usefulness of the ESASS in the sizing
optimization problems of steel truss and frame structures.

Keywords: structural design optimization, optimal sizing, metaheuristics, self-adaptive step-size search, steel trusses, steel frames

Procedia PDF Downloads 357
1780 Application of Computational Chemistry for Searching Anticancer Derivatives of 2-Phenazinamines as Bcr-Abl Tyrosine Kinase Inhibitors

Authors: Gajanan M. Sonwane

Abstract:

The computational studies on 2-phenazinamines with their protein targets have been carried out to design compounds with potential anticancer activity. This strategy of designing compounds possessing selectivity over specific tyrosine kinase has been achieved through G-QSAR and molecular docking studies. The objective of this research has been to design newer 2-phenazinamine derivatives as Bcr-Abl tyrosine kinase inhibitors by G-QSAR, molecular docking studies followed by wet-lab studies along with evaluation of their anticancer potential. Computational chemistry was done by using VLife MDS 4.3 and Autodock 4.2 followed by wet-lab experiments for synthesizing 2-phenazinamine derivatives. The chemical structures of ligands in 2D were drawn by employing Chemdraw 2D Ultra 8.0 and were converted into 3D. These were optimized by using a semi-empirical method called MOPAC. The protein structure was retrieved from RCSC protein data bank as a PDB file. The binding interactions of protein and ligands were done by using PYMOL. The molecular properties of the designed compounds were predicted in silico by using Osiris property explorer. The parent compound 2-phenazinamine was synthesized by reduction of 2, 4-dinitro-N-phenyl-benzenamine in the presence of tin chloride followed by cyclization in the presence of nitrobenzene and magnesium sulfate. The derivatization at the amino function of 2-phenazinamine was performed by treating parent compound with various aldehydes in the presence of dicyclohexylcarbodiimide (DCC) and urea to afford 2-(2-chlorophenyl)-3-(phenazine-2-yl) thiazolidine-4-one. Synthesized 39 novel derivatives of 2-phenazinamine and performed antioxidant activity, anti antiproliferative on the bulb of onion and anticancer activity on cell line showing significant competition with marked blockbuster drug imatinib.

Keywords: computer-aided drug design, tyrosin kinases, anticancer, docking

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1779 Hardware Implementation and Real-time Experimental Validation of a Direction of Arrival Estimation Algorithm

Authors: Nizar Tayem, AbuMuhammad Moinuddeen, Ahmed A. Hussain, Redha M. Radaydeh

Abstract:

This research paper introduces an approach for estimating the direction of arrival (DOA) of multiple RF noncoherent sources in a uniform linear array (ULA). The proposed method utilizes a Capon-like estimation algorithm and incorporates LU decomposition to enhance the accuracy of DOA estimation while significantly reducing computational complexity compared to existing methods like the Capon method. Notably, the proposed method does not require prior knowledge of the number of sources. To validate its effectiveness, the proposed method undergoes validation through both software simulations and practical experimentation on a prototype testbed constructed using a software-defined radio (SDR) platform and GNU Radio software. The results obtained from MATLAB simulations and real-time experiments provide compelling evidence of the proposed method's efficacy.

Keywords: DOA estimation, real-time validation, software defined radio, computational complexity, Capon's method, GNU radio

Procedia PDF Downloads 59
1778 Comprehensive Studies on the Aerodynamic Characteristics of Subsonic Scarf Inlets

Authors: M. Jegannath, V. Akshaya, B. Arunkumar, G. Lakshmi Soundharya, V. Thenmozhi, S. Varun, V. R. S. Kumar

Abstract:

For scarf inlet design, the primary variable of interest is the circumferential extent over which the extended lower lip is formed. In this paper, an attempt has been made to optimize the aerodynamic shape of a subsonic scarf inlet with aerodynamically shaped center-body with a particular value of the circumferential extent. The parametric analytical studies have been carried out using a Spalart-Allmaras turbulence model. From our preliminary studies, we concluded that for a particular value of circumferential extent, there will be an exact shape of the center-body with certain geometric orientation for the existence of an aerodynamically efficient scarf inlet for modern aircraft engines. This numerical study is a pointer towards for the design optimization of scarf inlets for modern aircraft engines.

Keywords: aerodynamics of scarf inlets, inlet design, modern aircraft inlets, subsonic scarf inlet

Procedia PDF Downloads 298
1777 A Review of Attractor Neural Networks and Their Use in Cognitive Science

Authors: Makenzy Lee Gilbert

Abstract:

This literature review explores the role of attractor neural networks (ANNs) in modeling psychological processes in artificial and biological systems. By synthesizing research from dynamical systems theory, psychology, and computational neuroscience, the review provides an overview of the current understanding of ANN function in memory formation, reinforcement, retrieval, and forgetting. Key mathematical foundations, including dynamical systems theory and energy functions, are discussed to explain the behavior and stability of these networks. The review also examines empirical applications of ANNs in cognitive processes such as semantic memory and episodic recall, as well as highlighting the hippocampus's role in pattern separation and completion. The review addresses challenges like catastrophic forgetting and noise effects on memory retrieval. By identifying gaps between theoretical models and empirical findings, it highlights the interdisciplinary nature of ANN research and suggests future exploration areas.

Keywords: attractor neural networks, connectionism, computational modeling, cognitive neuroscience

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1776 Leading Edge Vortex Development for a 65° Delta Wing with Varying Thickness and Maximum Thickness Locations

Authors: Jana Stucke, Sean Tuling, Chris Toomer

Abstract:

This study focuses on the numerical investigation of the leading edge vortex (LEV) development over a 65° swept delta wing with varying thickness and maximum thickness location and their impact on its overall performance. The tested configurations are defined by a 6% and 12 % thick biconvex aerofoil with maximum thickness location at 30% and 50% of the root chord. The results are compared to a flat plate delta wing configuration of 3.4% thickness. The largest differences are observed for the aerofoils of 12% thickness and are used to demonstrate the trends and aerodynamic characteristics from here on. It was found that the vortex structure changes with change with maximum thickness and overall thickness. This change leads to not only a reduction in lift but also in drag, especially when the maximum thickness is moved forward. The reduction in drag, however, outweighs the loss in lift thus increasing the overall performance of the configuration.

Keywords: aerodynamics, CFD, delta wing, leading edge vortices

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1775 A Look at the Quantum Theory of Atoms in Molecules from the Discrete Morse Theory

Authors: Dairo Jose Hernandez Paez

Abstract:

The quantum theory of atoms in molecules (QTAIM) allows us to obtain topological information on electronic density in quantum mechanical systems. The QTAIM starts by considering the electron density as a continuous mathematical object. On the other hand, the discretization of electron density is also a mathematical object, which, from discrete mathematics, would allow a new approach to its topological study. From this point of view, it is necessary to develop a series of steps that provide the theoretical support that guarantees its application. Some of the steps that we consider most important are mentioned below: (1) obtain good representations of the electron density through computational calculations, (2) design a methodology for the discretization of electron density, and construct the simplicial complex. (3) Make an analysis of the discrete vector field associating the simplicial complex. (4) Finally, in this research, we propose to use the discrete Morse theory as a mathematical tool to carry out studies of electron density topology.

Keywords: discrete mathematics, Discrete Morse theory, electronic density, computational calculations

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1774 Parameters Optimization of the Laminated Composite Plate for Sound Transmission Problem

Authors: Yu T. Tsai, Jin H. Huang

Abstract:

In this paper, the specific sound transmission loss (TL) of the laminated composite plate (LCP) with different material properties in each layer is investigated. The numerical method to obtain the TL of the LCP is proposed by using elastic plate theory. The transfer matrix approach is novelty presented for computational efficiency in solving the numerous layers of dynamic stiffness matrix (D-matrix) of the LCP. Besides the numerical simulations for calculating the TL of the LCP, the material properties inverse method is presented for the design of a laminated composite plate analogous to a metallic plate with a specified TL. As a result, it demonstrates that the proposed computational algorithm exhibits high efficiency with a small number of iterations for achieving the goal. This method can be effectively employed to design and develop tailor-made materials for various applications.

Keywords: sound transmission loss, laminated composite plate, transfer matrix approach, inverse problem, elastic plate theory, material properties

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1773 Computational Fluid Dynamics and Experimental Evaluation of Two Batch Type Electrocoagulation Stirred Tank Reactors Used in the Removal of Cr (VI) from Waste Water

Authors: Phanindra Prasad Thummala, Umran Tezcan Un

Abstract:

In this study, hydrodynamics analysis of two batch type electrocoagulation stirred tank reactors, used for the electrocoagulation treatment of Cr(VI) wastewater, was carried using computational fluid dynamics (CFD). The aim of the study was to evaluate the impact of mixing characteristics on overall performance of electrocoagulation reactor. The CFD simulations were performed using ANSYS FLUENT 14.4 software. The mixing performance of each reactor was evaluated by numerically modelling tracer dispersion in each reactor configuration. The uniformity in tracer dispersion was assumed when 90% of the ratio of the maximum to minimum concentration of the tracer was realized. In parallel, experimental evaluation of both the electrocoagulation reactors for removal of Cr(VI) from wastewater was also carried out. The results of CFD and experimental analysis clearly show that the reactor which can give higher uniformity in lesser time, will perform better as an electrocoagulation reactor for removal of Cr(VI) from wastewater.

Keywords: CFD, stirred tank reactors, electrocoagulation, Cr(VI) wastewater

Procedia PDF Downloads 450