Search results for: computational geometry
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2996

Search results for: computational geometry

1766 Modeling and Characterization of the SiC Single Crystal Growth Process

Authors: T. Wejrzanowski, M. Grybczuk, E. Tymicki, K. J. Kurzydlowski

Abstract:

In the present study numerical simulations silicon carbide single crystal growth process in Physical Vapor Transport reactor are addressed. Silicon Carbide is a perspective material for many applications in modern electronics. One of the main challenges for wider applications of SiC is high price of high quality mono crystals. Improvement of silicon carbide manufacturing process has a significant influence on the product price. Better understanding of crystal growth allows for optimization of the process, and it can be achieved by numerical simulations. In this work Virtual Reactor software was used to simulate the process. Predicted geometrical properties of the final product and information about phenomena occurring inside process reactor were obtained. The latter is especially valuable because reactor chamber is inaccessible during the process due to high temperature inside the reactor (over 2000˚C). Obtained data was used for improvement of the process and reactor geometry. Resultant crystal quality was also predicted basing on crystallization front shape evolution and threading dislocation paths. Obtained results were confronted with experimental data and the results are in good agreement.

Keywords: Finite Volume Method, semiconductors, Physical Vapor Transport, silicon carbide

Procedia PDF Downloads 531
1765 Nano-Texturing of Single Crystalline Silicon via Cu-Catalyzed Chemical Etching

Authors: A. A. Abaker Omer, H. B. Mohamed Balh, W. Liu, A. Abas, J. Yu, S. Li, W. Ma, W. El Kolaly, Y. Y. Ahmed Abuker

Abstract:

We have discovered an important technical solution that could make new approaches in the processing of wet silicon etching, especially in the production of photovoltaic cells. During its inferior light-trapping and structural properties, the inverted pyramid structure outperforms the conventional pyramid textures and black silicone. The traditional pyramid textures and black silicon can only be accomplished with more advanced lithography, laser processing, etc. Importantly, our data demonstrate the feasibility of an inverted pyramidal structure of silicon via one-step Cu-catalyzed chemical etching (CCCE) in Cu (NO3)2/HF/H2O2/H2O solutions. The effects of etching time and reaction temperature on surface geometry and light trapping were systematically investigated. The conclusion shows that the inverted pyramid structure has ultra-low reflectivity of ~4.2% in the wavelength of 300~1000 nm; introduce of Cu particles can significantly accelerate the dissolution of the silicon wafer. The etching and the inverted pyramid structure formation mechanism are discussed. Inverted pyramid structure with outstanding anti-reflectivity includes useful applications throughout the manufacture of semi-conductive industry-compatible solar cells, and can have significant impacts on industry colleagues and populations.

Keywords: Cu-catalyzed chemical etching, inverted pyramid nanostructured, reflection, solar cells

Procedia PDF Downloads 154
1764 Using Deep Learning Neural Networks and Candlestick Chart Representation to Predict Stock Market

Authors: Rosdyana Mangir Irawan Kusuma, Wei-Chun Kao, Ho-Thi Trang, Yu-Yen Ou, Kai-Lung Hua

Abstract:

Stock market prediction is still a challenging problem because there are many factors that affect the stock market price such as company news and performance, industry performance, investor sentiment, social media sentiment, and economic factors. This work explores the predictability in the stock market using deep convolutional network and candlestick charts. The outcome is utilized to design a decision support framework that can be used by traders to provide suggested indications of future stock price direction. We perform this work using various types of neural networks like convolutional neural network, residual network and visual geometry group network. From stock market historical data, we converted it to candlestick charts. Finally, these candlestick charts will be feed as input for training a convolutional neural network model. This convolutional neural network model will help us to analyze the patterns inside the candlestick chart and predict the future movements of the stock market. The effectiveness of our method is evaluated in stock market prediction with promising results; 92.2% and 92.1 % accuracy for Taiwan and Indonesian stock market dataset respectively.

Keywords: candlestick chart, deep learning, neural network, stock market prediction

Procedia PDF Downloads 447
1763 A Review of Optomechatronic Ecosystem

Authors: Sam Zhang

Abstract:

The landscape of Opto mechatronics is viewed along the line of light vs. matter, photonics vs. semiconductors, and optics vs. mechatronics. Optomechatronics is redefined as the integration of light and matter from the atom, device, and system to the application. The markets and megatrends in Opto mechatronics are further listed. The author then focuses on Opto mechatronic technology in the semiconductor industry as an example and reviews the practical systems, characteristics, and trends. Opto mechatronics, together with photonics and semiconductor, will continue producing the computational and smart infrastructure required for the 4th industrial revolution.

Keywords: photonics, semiconductor, optomechatronics, 4th industrial revolution

Procedia PDF Downloads 129
1762 Thermographic Tests of Curved GFRP Structures with Delaminations: Numerical Modelling vs. Experimental Validation

Authors: P. D. Pastuszak

Abstract:

The present work is devoted to thermographic studies of curved composite panels (unidirectional GFRP) with subsurface defects. Various artificial defects, created by inserting PTFE stripe between individual layers of a laminate during manufacturing stage are studied. The analysis is conducted both with the use finite element method and experiments. To simulate transient heat transfer in 3D model with embedded various defect sizes, the ANSYS package is used. Pulsed Thermography combined with optical excitation source provides good results for flat surfaces. Composite structures are mostly used in complex components, e.g., pipes, corners and stiffeners. Local decrease of mechanical properties in these regions can have significant influence on strength decrease of the entire structure. Application of active procedures of thermography to defect detection and evaluation in this type of elements seems to be more appropriate that other NDT techniques. Nevertheless, there are various uncertainties connected with correct interpretation of acquired data. In this paper, important factors concerning Infrared Thermography measurements of curved surfaces in the form of cylindrical panels are considered. In addition, temperature effects on the surface resulting from complex geometry and embedded and real defect are also presented.

Keywords: active thermography, composite, curved structures, defects

Procedia PDF Downloads 319
1761 An Experimental Study of Bolt Inclination in a Composite Single Bolted Joint

Authors: Youcef Faci, Djillali Allou, Ahmed Mebtouche, Badredine Maalem

Abstract:

The inclination of the bolt in a fastened joint of composite material during a tensile test can be influenced by several parameters, including material properties, bolt diameter and length, the type of composite material being used, the size and dimensions of the bolt, bolt preload, surface preparation, the design and configuration of the joint, and finally testing conditions. These parameters should be carefully considered and controlled to ensure accurate and reliable results during tensile testing of composite materials with fastened joints. Our work focuses on the effect of the stacking sequence and the geometry of specimens. An experimental test is carried out to obtain the inclination of a bolt during a tensile test of a composite material using acoustic emission and digital image correlation. Several types of damage were obtained during load. Digital image correlation techniques permit to obtain the inclination of bolt angle value during tensile test. We concluded that the inclination of the bolt during a tensile test of a composite material can be related to the damage that occurs in the material. It can cause stress concentrations and localized deformation in the material, leading to damage such as delamination, fiber breakage, matrix cracking, and other forms of failure.

Keywords: damage, digital image correlation, bolt inclination angle, joint

Procedia PDF Downloads 68
1760 Designing Stochastic Non-Invasively Applied DC Pulses to Suppress Tremors in Multiple Sclerosis by Computational Modeling

Authors: Aamna Lawrence, Ashutosh Mishra

Abstract:

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

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

Procedia PDF Downloads 128
1759 Cross Matching: An Improved Method to Obtain Comprehensive and Consolidated Evidence

Authors: Tuula Heinonen, Wilhelm Gaus

Abstract:

At present safety, assessment starts with animal tests although their predictivity is often poor. Even after extended human use experimental data are often judged as the core information for risk assessment. However, the best opportunity to generate true evidence is to match all available information. Cross matching methodology combines the different fields of knowledge and types of data (e.g. in-vitro and in-vivo experiments, clinical observations, clinical and epidemiological studies, and daily life observations) and gives adequate weight to individual findings. To achieve a consolidated outcome, the information from all available sources is analysed and compared with each other. If single pieces of information fit together a clear picture becomes visible. If pieces of information are inconsistent or contradictory careful consideration is necessary. 'Cross' can be understood as 'orthographic' in geometry or as 'independent' in mathematics. Results coming from different sources bring independent and; therefore, they result in new information. Independent information gives a larger contribution to evidence than results coming repeatedly from the same source. A successful example of cross matching is the assessment of Ginkgo biloba where we were able to come to the conclusive result: Ginkgo biloba leave extract is well tolerated and safe for humans.

Keywords: cross-matching, human use, safety assessment, Ginkgo biloba leave extract

Procedia PDF Downloads 287
1758 Enhancing Residential Architecture through Generative Design: Balancing Aesthetics, Legal Constraints, and Environmental Considerations

Authors: Milena Nanova, Radul Shishkov, Martin Georgiev, Damyan Damov

Abstract:

This research paper presents an in-depth exploration of the use of generative design in urban residential architecture, with a dual focus on aligning aesthetic values with legal and environmental constraints. The study aims to demonstrate how generative design methodologies can innovate residential building designs that are not only legally compliant and environmentally conscious but also aesthetically compelling. At the core of our research is a specially developed generative design framework tailored for urban residential settings. This framework employs computational algorithms to produce diverse design solutions, meticulously balancing aesthetic appeal with practical considerations. By integrating site-specific features, urban legal restrictions, and environmental factors, our approach generates designs that resonate with the unique character of urban landscapes while adhering to regulatory frameworks. The paper explores how modern digital tools, particularly computational design, and algorithmic modelling, can optimize the early stages of residential building design. By creating a basic parametric model of a residential district, the paper investigates how automated design tools can explore multiple design variants based on predefined parameters (e.g., building cost, dimensions, orientation) and constraints. The paper aims to demonstrate how these tools can rapidly generate and refine architectural solutions that meet the required criteria for quality of life, cost efficiency, and functionality. The study utilizes computational design for database processing and algorithmic modelling within the fields of applied geodesy and architecture. It focuses on optimizing the forms of residential development by adjusting specific parameters and constraints. The results of multiple iterations are analysed, refined, and selected based on their alignment with predefined quality and cost criteria. The findings of this research will contribute to a modern, complex approach to residential area design. The paper demonstrates the potential for integrating BIM models into the design process and their application in virtual 3D Geographic Information Systems (GIS) environments. The study also examines the transformation of BIM models into suitable 3D GIS file formats, such as CityGML, to facilitate the visualization and evaluation of urban planning solutions. In conclusion, our research demonstrates that a generative parametric approach based on real geodesic data and collaborative decision-making could be introduced in the early phases of the design process. This gives the designers powerful tools to explore diverse design possibilities, significantly improving the qualities of the investment during its entire lifecycle.

Keywords: architectural design, residential buildings, urban development, geodesic data, generative design, parametric models, workflow optimization

Procedia PDF Downloads 8
1757 Optimization of Element Type for FE Model and Verification of Analyses with Physical Tests

Authors: Mustafa Tufekci, Caner Guven

Abstract:

In Automotive Industry, sliding door systems that are also used as body closures, are safety members. Extreme product tests are realized to prevent failures in a design process, but these tests realized experimentally result in high costs. Finite element analysis is an effective tool used for the design process. These analyses are used before production of a prototype for validation of design according to customer requirement. In result of this, the substantial amount of time and cost is saved. Finite element model is created for geometries that are designed in 3D CAD programs. Different element types as bar, shell and solid, can be used for creating mesh model. The cheaper model can be created by the selection of element type, but combination of element type that was used in model, number and geometry of element and degrees of freedom affects the analysis result. Sliding door system is a good example which used these methods for this study. Structural analysis was realized for sliding door mechanism by using FE models. As well, physical tests that have same boundary conditions with FE models were realized. Comparison study for these element types, were done regarding test and analyses results then the optimum combination was achieved.

Keywords: finite element analysis, sliding door mechanism, element type, structural analysis

Procedia PDF Downloads 329
1756 Influence of Free Field Vibrations Due to Vibratory Pile Driving

Authors: Shashank Mukkoti, Mainak Majumder, Srinivasan Venkatraman

Abstract:

Owing to the land scarcity in the modern-day, most of the construction activities are carried out closed to the existing buildings. Most of the high-rise buildings are constructed on pile foundations to transfer the design loads to a strong stratum below the ground surface. Due to the proximity of the new and existing structures, noise disturbances are prominent during the pile installation. Installation of vibratory piles is most suitable in urban areas. The ground vibrations developed due to the vibratory pile driving may cause many detrimental effects on the surrounding structures based on the proximity of the sources and nature of the structures. In the present study, an attempt has been made to study the severity of ground vibrations induced by vibratory pile driving. For this purpose, a three-dimensional finite element model has been developed in the ABAQUS/ Explicit finite element program. The couple finite/infinite element method has been employed for the capturing of propagating waves due to the pile installation. The geometry of the pile foundations, frequency of the pile driving, length of the pile has been considered for the parametric study. The results show that vibrations generated due to the vibratory pile installation are either very close or more than the thresholds tolerance limits set by different guidelines.

Keywords: FE model, pile driving, free field vibrations, wave propagation

Procedia PDF Downloads 298
1755 Investigation of Optimal Parameter Settings in Super Duplex Stainless Steel Welding Welding

Authors: R. M. Chandima Ratnayake, Daniel Dyakov

Abstract:

Super steel materials play vital role in construction and fabrication of structural, piping and pipeline components. They enable to minimize the life cycle costs in assuring the integrity of onshore and offshore operating systems. In this context, Duplex stainless steel (DSS) material related welding on constructions and fabrications play a significant role in maintaining and assuring integrity at an optimal expenditure over the life cycle of production and process systems as well as associated structures. In DSS welding, the factors such as gap geometry, shielding gas supply rate, welding current, and type of the welding process play a vital role on the final joint performance. Hence, an experimental investigation has been performed using engineering robust design approach (ERDA) to investigate the optimal settings that generate optimal super DSS (i.e. UNS S32750) joint performance. This manuscript illustrates the mathematical approach and experimental design, optimal parameter settings and results of verification experiment.

Keywords: duplex stainless steel welding, engineering robust design, mathematical framework, optimal parameter settings

Procedia PDF Downloads 415
1754 Tectonic Inversion Manifestations in the Jebel Rouas-Ruissate (Northeastern Tunisia)

Authors: Aymen Arfaoui, Abdelkader Soumaya, Noureddine Ben Ayed

Abstract:

The Rouas-Ruissateis a part of TunisianAtlas system. Analyze of the collected field data allowed us to propose a new interpretation for the main structural features of thisregion. Tectonic inversions along NE-SW trending fault of Zaghouan and holokinetic movements are the main factors controlling the architecture and geometry of the Jebel Rouas-Ruissate. The presence of breccias, Slumps, and synsedimentaryfaults along NW-SE and N-S trending major faults show that they were active during the Mesozoicextensionalepisodes. During Cenozoic inversion period, this structurewas shaped as imbricatefansformed byNE-SW trending thrust faults. The angularunconformitybetweenupperEocene- Oligocene, and Cretaceousdeposits reveals a compressive Eocene tectonic phase (called Pyrenean phase)occurred duringPaleocene-lower Eocene.The Triassicsaltsacted as a decollementlevel in the NE-SW trendingfault propagation fold model of the Rouas-Ruissate.The inversion of fault-slip data along the main regional fault zones reveals a coexistence of strike-slip and reverse fault stress regimes with NW-SE maximum horizontal stress(SHmax) characterizing the Alpine compressive phase (Upper Tortonian).

Keywords: tunisia, imbricate fans, triassic decollement level, fault propagation fold

Procedia PDF Downloads 152
1753 Computational Modelling of Epoxy-Graphene Composite Adhesive towards the Development of Cryosorption Pump

Authors: Ravi Verma

Abstract:

Cryosorption pump is the best solution to achieve clean, vibration free ultra-high vacuum. Furthermore, the operation of cryosorption pump is free from the influence of electric and magnetic fields. Due to these attributes, this pump is used in the space simulation chamber to create the ultra-high vacuum. The cryosorption pump comprises of three parts (a) panel which is cooled with the help of cryogen or cryocooler, (b) an adsorbent which is used to adsorb the gas molecules, (c) an epoxy which holds the adsorbent and the panel together thereby aiding in heat transfer from adsorbent to the panel. The performance of cryosorption pump depends on the temperature of the adsorbent and hence, on the thermal conductivity of the epoxy. Therefore we have made an attempt to increase the thermal conductivity of epoxy adhesive by mixing nano-sized graphene filler particles. The thermal conductivity of epoxy-graphene composite adhesive is measured with the help of indigenously developed experimental setup in the temperature range from 4.5 K to 7 K, which is generally the operating temperature range of cryosorption pump for efficiently pumping of hydrogen and helium gas. In this article, we have presented the experimental results of epoxy-graphene composite adhesive in the temperature range from 4.5 K to 7 K. We have also proposed an analytical heat conduction model to find the thermal conductivity of the composite. In this case, the filler particles, such as graphene, are randomly distributed in a base matrix of epoxy. The developed model considers the complete spatial random distribution of filler particles and this distribution is explained by Binomial distribution. The results obtained by the model have been compared with the experimental results as well as with the other established models. The developed model is able to predict the thermal conductivity in both isotropic regions as well as in anisotropic region over the required temperature range from 4.5 K to 7 K. Due to the non-empirical nature of the proposed model, it will be useful for the prediction of other properties of composite materials involving the filler in a base matrix. The present studies will aid in the understanding of low temperature heat transfer which in turn will be useful towards the development of high performance cryosorption pump.

Keywords: composite adhesive, computational modelling, cryosorption pump, thermal conductivity

Procedia PDF Downloads 89
1752 A Hybrid of BioWin and Computational Fluid Dynamics Based Modeling of Biological Wastewater Treatment Plants for Model-Based Control

Authors: Komal Rathore, Kiesha Pierre, Kyle Cogswell, Aaron Driscoll, Andres Tejada Martinez, Gita Iranipour, Luke Mulford, Aydin Sunol

Abstract:

Modeling of Biological Wastewater Treatment Plants requires several parameters for kinetic rate expressions, thermo-physical properties, and hydrodynamic behavior. The kinetics and associated mechanisms become complex due to several biological processes taking place in wastewater treatment plants at varying times and spatial scales. A dynamic process model that incorporated the complex model for activated sludge kinetics was developed using the BioWin software platform for an Advanced Wastewater Treatment Plant in Valrico, Florida. Due to the extensive number of tunable parameters, an experimental design was employed for judicious selection of the most influential parameter sets and their bounds. The model was tuned using both the influent and effluent plant data to reconcile and rectify the forecasted results from the BioWin Model. Amount of mixed liquor suspended solids in the oxidation ditch, aeration rates and recycle rates were adjusted accordingly. The experimental analysis and plant SCADA data were used to predict influent wastewater rates and composition profiles as a function of time for extended periods. The lumped dynamic model development process was coupled with Computational Fluid Dynamics (CFD) modeling of the key units such as oxidation ditches in the plant. Several CFD models that incorporate the nitrification-denitrification kinetics, as well as, hydrodynamics was developed and being tested using ANSYS Fluent software platform. These realistic and verified models developed using BioWin and ANSYS were used to plan beforehand the operating policies and control strategies for the biological wastewater plant accordingly that further allows regulatory compliance at minimum operational cost. These models, with a little bit of tuning, can be used for other biological wastewater treatment plants as well. The BioWin model mimics the existing performance of the Valrico Plant which allowed the operators and engineers to predict effluent behavior and take control actions to meet the discharge limits of the plant. Also, with the help of this model, we were able to find out the key kinetic and stoichiometric parameters which are significantly more important for modeling of biological wastewater treatment plants. One of the other important findings from this model were the effects of mixed liquor suspended solids and recycle ratios on the effluent concentration of various parameters such as total nitrogen, ammonia, nitrate, nitrite, etc. The ANSYS model allowed the abstraction of information such as the formation of dead zones increases through the length of the oxidation ditches as compared to near the aerators. These profiles were also very useful in studying the behavior of mixing patterns, effect of aerator speed, and use of baffles which in turn helps in optimizing the plant performance.

Keywords: computational fluid dynamics, flow-sheet simulation, kinetic modeling, process dynamics

Procedia PDF Downloads 210
1751 Testing and Validation Stochastic Models in Epidemiology

Authors: Snigdha Sahai, Devaki Chikkavenkatappa Yellappa

Abstract:

This study outlines approaches for testing and validating stochastic models used in epidemiology, focusing on the integration and functional testing of simulation code. It details methods for combining simple functions into comprehensive simulations, distinguishing between deterministic and stochastic components, and applying tests to ensure robustness. Techniques include isolating stochastic elements, utilizing large sample sizes for validation, and handling special cases. Practical examples are provided using R code to demonstrate integration testing, handling of incorrect inputs, and special cases. The study emphasizes the importance of both functional and defensive programming to enhance code reliability and user-friendliness.

Keywords: computational epidemiology, epidemiology, public health, infectious disease modeling, statistical analysis, health data analysis, disease transmission dynamics, predictive modeling in health, population health modeling, quantitative public health, random sampling simulations, randomized numerical analysis, simulation-based analysis, variance-based simulations, algorithmic disease simulation, computational public health strategies, epidemiological surveillance, disease pattern analysis, epidemic risk assessment, population-based health strategies, preventive healthcare models, infection dynamics in populations, contagion spread prediction models, survival analysis techniques, epidemiological data mining, host-pathogen interaction models, risk assessment algorithms for disease spread, decision-support systems in epidemiology, macro-level health impact simulations, socioeconomic determinants in disease spread, data-driven decision making in public health, quantitative impact assessment of health policies, biostatistical methods in population health, probability-driven health outcome predictions

Procedia PDF Downloads 6
1750 Sensitivity Analysis of External-Rotor Permanent Magnet Assisted Synchronous Reluctance Motor

Authors: Hadi Aghazadeh, Seyed Ebrahim Afjei, Alireza Siadatan

Abstract:

In this paper, a proper approach is taken to assess a set of the most effective rotor design parameters for an external-rotor permanent magnet assisted synchronous reluctance motor (PMaSynRM) and therefore to tackle the design complexity of the rotor structure. There are different advantages for introducing permanent magnets into the rotor flux barriers, some of which are to saturate the rotor iron ribs, to increase the motor torque density and to improve the power factor. Moreover, the d-axis and q-axis inductances are of great importance to simultaneously achieve maximum developed torque and low torque ripple. Therefore, sensitivity analysis of the rotor geometry of an 8-pole external-rotor permanent magnet assisted synchronous reluctance motor is performed. Several magnetically accurate finite element analyses (FEA) are conducted to characterize the electromagnetic performance of the motor. The analyses validate torque and power factor equations for the proposed external-rotor motor. Based upon the obtained results and due to an additional term, permanent magnet torque, added to the reluctance torque, the electromagnetic torque of the PMaSynRM increases.

Keywords: permanent magnet assisted synchronous reluctance motor, flux barrier, flux carrier, electromagnetic torque, and power factor

Procedia PDF Downloads 331
1749 Theoretical Study of Acetylation of P-Methylaniline Catalyzed by Cu²⁺ Ions

Authors: Silvana Caglieri

Abstract:

Theoretical study of acetylation of p-methylaniline catalyzed by Cu2+ ions from the analysis of intermediate of the reaction was carried out. The study of acetylation of amines is of great interest by the utility of its products of reaction and is one of the most frequently used transformations in organic synthesis as it provides an efficient and inexpensive means for protecting amino groups in a multistep synthetic process. Acetylation of amine is a nucleophilic substitution reaction. This reaction can be catalyzed by Lewis acid, metallic ion. In reaction mechanism, the metallic ion formed a complex with the oxygen of the acetic anhydride carbonyl, facilitating the polarization of the same and the successive addition of amine at the position to form a tetrahedral intermediate, determining step of the rate of the reaction. Experimental work agreed that this reaction takes place with the formation of a tetrahedral intermediate. In the present theoretical work were investigated the structure and energy of the tetrahedral intermediate of the reaction catalyzed by Cu2+ ions. Geometries of all species involved in the acetylation were made and identified. All of the geometry optimizations were performed by the method at the DFT/B3LYP level of theory and the method MP2. Were adopted the 6-31+G* basis sets. Energies were calculated using the Mechanics-UFF method. Following the same procedure it was identified the geometric parameters and energy of reaction intermediate. The calculations show 61.35 kcal/mol of energy for the tetrahedral intermediate and the energy of activation for the reaction was 15.55 kcal/mol.

Keywords: amides, amines, DFT, MP2

Procedia PDF Downloads 283
1748 Reliability Levels of Reinforced Concrete Bridges Obtained by Mixing Approaches

Authors: Adrián D. García-Soto, Alejandro Hernández-Martínez, Jesús G. Valdés-Vázquez, Reyna A. Vizguerra-Alvarez

Abstract:

Reinforced concrete bridges designed by code are intended to achieve target reliability levels adequate for the geographical environment where the code is applicable. Several methods can be used to estimate such reliability levels. Many of them require the establishment of an explicit limit state function (LSF). When such LSF is not available as a close-form expression, the simulation techniques are often employed. The simulation methods are computing intensive and time consuming. Note that if the reliability of real bridges designed by code is of interest, numerical schemes, the finite element method (FEM) or computational mechanics could be required. In these cases, it can be quite difficult (or impossible) to establish a close-form of the LSF, and the simulation techniques may be necessary to compute reliability levels. To overcome the need for a large number of simulations when no explicit LSF is available, the point estimate method (PEM) could be considered as an alternative. It has the advantage that only the probabilistic moments of the random variables are required. However, in the PEM, fitting of the resulting moments of the LSF to a probability density function (PDF) is needed. In the present study, a very simple alternative which allows the assessment of the reliability levels when no explicit LSF is available and without the need of extensive simulations is employed. The alternative includes the use of the PEM, and its applicability is shown by assessing reliability levels of reinforced concrete bridges in Mexico when a numerical scheme is required. Comparisons with results by using the Monte Carlo simulation (MCS) technique are included. To overcome the problem of approximating the probabilistic moments from the PEM to a PDF, a well-known distribution is employed. The approach mixes the PEM and other classic reliability method (first order reliability method, FORM). The results in the present study are in good agreement whit those computed with the MCS. Therefore, the alternative of mixing the reliability methods is a very valuable option to determine reliability levels when no close form of the LSF is available, or if numerical schemes, the FEM or computational mechanics are employed.

Keywords: structural reliability, reinforced concrete bridges, combined approach, point estimate method, monte carlo simulation

Procedia PDF Downloads 346
1747 Mixing Behaviors of Shear-Thinning Fluids in Serpentine-Channel Micromixers

Authors: Rei-Tang Tsai, Chih-Yang Wu, Chia-Yuan Chang, Ming-Ying Kuo

Abstract:

This study aims to investigate the mixing behaviors of deionized (DI) water and carboxymethyl cellulose (CMC) solutions in C-shaped serpentine micromixers over a wide range of flow conditions. The flow of CMC solutions exhibits shear-thinning behaviors. Numerical simulations are performed to investigate the effects of the mean flow speed, fluid properties and geometry parameters on flow and mixing in the micromixers with serpentine channel of the same overall channel length. From the results, we can find the following trends. When fluid mixing is dominated by convection, the curvature-induced vortices enhance fluid mixing effectively. The mixing efficiency of a micromixer consisting of semicircular C-shaped repeating units with a smaller center-line radius is better than that of a micromixer consisting of major-segment repeating units with a larger center-line radius. The viscosity of DI water is less than the overall average apparent viscosity of CMC solutions, and so the effect of curvature-induced vortices on fluid mixing in DI water is larger than that in CMC solutions for the cases with the same mean flow speed.

Keywords: curved channel, microfluidics, mixing, non-newtonian fluids, vortex

Procedia PDF Downloads 441
1746 Design, Synthesis, and Catalytic Applications of Functionalized Metal Complexes and Nanomaterials for Selective Oxidation and Coupling Reactions

Authors: Roghaye Behroozi

Abstract:

The development of functionalized metal complexes and nanomaterials has gained significant attention due to their potential in catalyzing selective oxidation and coupling reactions. These catalysts play a crucial role in various industrial and pharmaceutical processes, enhancing the efficiency, selectivity, and sustainability of chemical reactions. This research aims to design and synthesize new functionalized metal complexes and nanomaterials to explore their catalytic applications in the selective oxidation of alcohols and coupling reactions, focusing on improving yield, selectivity, and catalyst reusability. The study involves the synthesis of a nickel Schiff base complex stabilized within 41-MCM as a heterogeneous catalyst. A Schiff base ligand derived from glycine was used to create a tin (IV) metal complex characterized through spectroscopic techniques and computational analysis. Additionally, iron-based magnetic nanoparticles functionalized with melamine were synthesized for catalytic evaluation. Lastly, a palladium (IV) complex was prepared, and its oxidative stability was analyzed. The nickel Schiff base catalyst showed high selectivity in converting primary and secondary alcohols to aldehydes and ketones, with yields ranging from 73% to 90%. The tin (IV) complex demonstrated accurate structural and electronic properties, with consistent results between experimental and computational data. The melamine-functionalized iron nanoparticles exhibited efficient catalytic activity in producing triazoles, with enhanced reaction speed and reusability. The palladium (IV) complex displayed remarkable stability and low reactivity towards C–C bond formation due to its symmetrical structure. The synthesized metal complexes and nanomaterials demonstrated significant potential as efficient, selective, and reusable catalysts for oxidation and coupling reactions. These findings pave the way for developing environmentally friendly and cost-effective catalytic systems for industrial applications.

Keywords: catalysts, Schiff base complexes, metal-organic frameworks, oxidation reactions, nanoparticles, reusability

Procedia PDF Downloads 15
1745 Evaluation of a Data Fusion Algorithm for Detecting and Locating a Radioactive Source through Monte Carlo N-Particle Code Simulation and Experimental Measurement

Authors: Hadi Ardiny, Amir Mohammad Beigzadeh

Abstract:

Through the utilization of a combination of various sensors and data fusion methods, the detection of potential nuclear threats can be significantly enhanced by extracting more information from different data. In this research, an experimental and modeling approach was employed to track a radioactive source by combining a surveillance camera and a radiation detector (NaI). To run this experiment, three mobile robots were utilized, with one of them equipped with a radioactive source. An algorithm was developed in identifying the contaminated robot through correlation between camera images and camera data. The computer vision method extracts the movements of all robots in the XY plane coordinate system, and the detector system records the gamma-ray count. The position of the robots and the corresponding count of the moving source were modeled using the MCNPX simulation code while considering the experimental geometry. The results demonstrated a high level of accuracy in finding and locating the target in both the simulation model and experimental measurement. The modeling techniques prove to be valuable in designing different scenarios and intelligent systems before initiating any experiments.

Keywords: nuclear threats, radiation detector, MCNPX simulation, modeling techniques, intelligent systems

Procedia PDF Downloads 123
1744 Simulation of Single-Track Laser Melting on IN718 using Material Point Method

Authors: S. Kadiyala, M. Berzins, D. Juba, W. Keyrouz

Abstract:

This paper describes the Material Point Method (MPM) for simulating a single-track laser melting process on an IN718 solid plate. MPM, known for simulating challenging multiphysics problems, is used to model the intricate thermal, mechanical, and fluid interactions during the laser sintering process. This study analyzes the formation of single tracks, exploring the impact of varying laser parameters such as speed, power, and spot diameter on the melt pool and track formation. The focus is on MPM’s ability to accurately simulate and capture the transient thermo-mechanical and phase change phenomena, which are critical in predicting the cooling rates before and after solidification of the laser track and the final melt pool geometry. The simulation results are rigorously compared with experimental data (AMB2022 benchmarks), demonstrating the effectiveness of MPM in replicating the physical processes in laser sintering. This research highlights the potential of MPM in advancing the understanding and simulation of melt pool physics in metal additive manufacturing, paving the way for optimized process parameters and improved material performance.

Keywords: dditive manufacturing simulation, material point method, phase change, melt pool physics

Procedia PDF Downloads 59
1743 Life Prediction of Cutting Tool by the Workpiece Cutting Condition

Authors: Noemia Gomes de Mattos de Mesquita, José Eduardo Ferreira de Oliveira, Arimatea Quaresma Ferraz

Abstract:

Stops to exchange cutting tool, to set up again the tool in a turning operation with CNC or to measure the workpiece dimensions have a direct influence on production. The premature removal of the cutting tool results in high cost of machining since the parcel relating to the cost of the cutting tool increases. On the other hand, the late exchange of cutting tool also increases the cost of production because getting parts out of the preset tolerances may require rework for its use when it does not cause bigger problems such as breaking of cutting tools or the loss of the part. Therefore, the right time to exchange the tool should be well defined when wanted to minimize production costs. When the flank wear is the limiting tool life, the time predetermination that a cutting tool must be used for the machining occurs within the limits of tolerance can be done without difficulty. This paper aims to show how the life of the cutting tool can be calculated taking into account the cutting parameters (cutting speed, feed and depth of cut), workpiece material, power of the machine, the dimensional tolerance of the part, the finishing surface, the geometry of the cutting tool and operating conditions of the machine tool, once known the parameters of Taylor algebraic structure. These parameters were raised for the ABNT 1038 steel machined with cutting tools of hard metal.

Keywords: machining, productions, cutting condition, design, manufacturing, measurement

Procedia PDF Downloads 634
1742 Numerical Investigation of Divergence and Rib Orientation Effects on Thermal Performance in a Divergent Duct, as an Application of Inner Cooling of Turbine Blades

Authors: Heidar Jafarizadeh, Hossein Keshtkar, Ahmad Sohankar

Abstract:

Heat transfer and turbulent flow structure have been studied in a divergent ribbed duct with a varying duct geometry with Reynolds numbers of 7000 to 90000 using numerical methods. In this study, we confirmed our numerical results of a ribbed duct with an Initial slope of zero to 3 degree by comparing them to experimental data we had and investigated the impact of the ducts divergence on heat transfer and flow pattern in the 2-dimensional flow. Then we investigated the effect of tilting the ribs, on heat transfer and flow behavior. We achieved this by changing the ribs angles from a range of 40 to 75 degrees in a divergent duct and simulated the flow in 3-dimensions. Our results show that with an increase in duct divergence, heat transfer increases linearly and the coefficient of friction increases exponentially. As the results show, a duct with a divergence angle of 1.5 degree presents better thermal performance in comparison with all the angle range’s we studied. Besides, a ribbed duct with 40 degree rib orientation had the best thermal performance considering the simultaneous effects of pressure drop and heat transfer which were imposed on it.

Keywords: divergent ribbed duct, heat transfer, thermal performance, turbulent flow structure

Procedia PDF Downloads 302
1741 Numerical Investigation on Optimizing Fatigue Life in a Lap Joint Structure

Authors: P. Zamani, S. Mohajerzadeh, R. Masoudinejad, K. Farhangdoost

Abstract:

The riveting process is one of the important ways to keep fastening the lap joints in aircraft structures. Failure of aircraft lap joints directly depends on the stress field in the joint. An important application of riveting process is in the construction of aircraft fuselage structures. In this paper, a 3D finite element method is carried out in order to optimize residual stress field in a riveted lap joint and also to estimate its fatigue life. In continue, a number of experiments are designed and analyzed using design of experiments (DOE). Then, Taguchi method is used to select an optimized case between different levels of each factor. Besides that, the factor which affects the most on residual stress field is investigated. Such optimized case provides the maximum residual stress field. Fatigue life of the optimized joint is estimated by Paris-Erdogan law. Stress intensity factors (SIFs) are calculated using both finite element analysis and experimental formula. In addition, the effect of residual stress field, geometry, and secondary bending are considered in SIF calculation. A good agreement is found between results of such methods. Comparison between optimized fatigue life and fatigue life of other joints has shown an improvement in the joint’s life.

Keywords: fatigue life, residual stress, riveting process, stress intensity factor, Taguchi method

Procedia PDF Downloads 452
1740 Analysis of Airborne Data Using Range Migration Algorithm for the Spotlight Mode of Synthetic Aperture Radar

Authors: Peter Joseph Basil Morris, Chhabi Nigam, S. Ramakrishnan, P. Radhakrishna

Abstract:

This paper brings out the analysis of the airborne Synthetic Aperture Radar (SAR) data using the Range Migration Algorithm (RMA) for the spotlight mode of operation. Unlike in polar format algorithm (PFA), space-variant defocusing and geometric distortion effects are mitigated in RMA since it does not assume that the illuminating wave-fronts are planar. This facilitates the use of RMA for imaging scenarios involving severe differential range curvatures enabling the imaging of larger scenes at fine resolution and at shorter ranges with low center frequencies. The RMA algorithm for the spotlight mode of SAR is analyzed in this paper using the airborne data. Pre-processing operations viz: - range de-skew and motion compensation to a line are performed on the raw data before being fed to the RMA component. Various stages of the RMA viz:- 2D Matched Filtering, Along Track Fourier Transform and Slot Interpolation are analyzed to find the performance limits and the dependence of the imaging geometry on the resolution of the final image. The ability of RMA to compensate for severe differential range curvatures in the two-dimensional spatial frequency domain are also illustrated in this paper.

Keywords: range migration algorithm, spotlight SAR, synthetic aperture radar, matched filtering, slot interpolation

Procedia PDF Downloads 241
1739 High-Fidelity Materials Screening with a Multi-Fidelity Graph Neural Network and Semi-Supervised Learning

Authors: Akeel A. Shah, Tong Zhang

Abstract:

Computational approaches to learning the properties of materials are commonplace, motivated by the need to screen or design materials for a given application, e.g., semiconductors and energy storage. Experimental approaches can be both time consuming and costly. Unfortunately, computational approaches such as ab-initio electronic structure calculations and classical or ab-initio molecular dynamics are themselves can be too slow for the rapid evaluation of materials, often involving thousands to hundreds of thousands of candidates. Machine learning assisted approaches have been developed to overcome the time limitations of purely physics-based approaches. These approaches, on the other hand, require large volumes of data for training (hundreds of thousands on many standard data sets such as QM7b). This means that they are limited by how quickly such a large data set of physics-based simulations can be established. At high fidelity, such as configuration interaction, composite methods such as G4, and coupled cluster theory, gathering such a large data set can become infeasible, which can compromise the accuracy of the predictions - many applications require high accuracy, for example band structures and energy levels in semiconductor materials and the energetics of charge transfer in energy storage materials. In order to circumvent this problem, multi-fidelity approaches can be adopted, for example the Δ-ML method, which learns a high-fidelity output from a low-fidelity result such as Hartree-Fock or density functional theory (DFT). The general strategy is to learn a map between the low and high fidelity outputs, so that the high-fidelity output is obtained a simple sum of the physics-based low-fidelity and correction, Although this requires a low-fidelity calculation, it typically requires far fewer high-fidelity results to learn the correction map, and furthermore, the low-fidelity result, such as Hartree-Fock or semi-empirical ZINDO, is typically quick to obtain, For high-fidelity outputs the result can be an order of magnitude or more in speed up. In this work, a new multi-fidelity approach is developed, based on a graph convolutional network (GCN) combined with semi-supervised learning. The GCN allows for the material or molecule to be represented as a graph, which is known to improve accuracy, for example SchNet and MEGNET. The graph incorporates information regarding the numbers of, types and properties of atoms; the types of bonds; and bond angles. They key to the accuracy in multi-fidelity methods, however, is the incorporation of low-fidelity output to learn the high-fidelity equivalent, in this case by learning their difference. Semi-supervised learning is employed to allow for different numbers of low and high-fidelity training points, by using an additional GCN-based low-fidelity map to predict high fidelity outputs. It is shown on 4 different data sets that a significant (at least one order of magnitude) increase in accuracy is obtained, using one to two orders of magnitude fewer low and high fidelity training points. One of the data sets is developed in this work, pertaining to 1000 simulations of quinone molecules (up to 24 atoms) at 5 different levels of fidelity, furnishing the energy, dipole moment and HOMO/LUMO.

Keywords: .materials screening, computational materials, machine learning, multi-fidelity, graph convolutional network, semi-supervised learning

Procedia PDF Downloads 41
1738 Riemannain Geometries Of Visual Space

Authors: Jacek Turski

Abstract:

The visual space geometries are constructed in the Riemannian geometry framework from simulated iso-disparity conics in the horizontalvisual plane of the binocular system with the asymmetric eyes (AEs). For the eyes fixating at the abathic distance, which depends on the AE’s parameters, the iso-disparity conics are frontal straight lines in physical space. For allother fixations, the iso-disparity conics consist of families of the ellipses or hyperbolas depending on both the AE’s parameters and the bifoveal fixation. However, the iso-disparity conic’s arcs are perceived in the gaze direction asthe frontal lines and are referred to as visual geodesics. Thus, geometriesof physical and visual spaces are different. A simple postulate that combines simulated iso-disparity conics with basic anatomy od the human visual system gives the relative depth for the fixation at the abathic distance that establishes the Riemann matric tensor. The resulting geodesics are incomplete in the gaze direction and, therefore, give thefinite distances to the horizon that depend on the AE’s parameters. Moreover, the curvature vanishes in this eyes posture such that visual space is flat. For all other fixations, only the sign of the curvature canbe inferred from the global behavior of the simulated iso-disparity conics: the curvature is positive for the elliptic iso-disparity curves and negative for the hyperbolic iso-disparity curves.

Keywords: asymmetric eye model, iso-disparity conics, metric tensor, geodesics, curvature

Procedia PDF Downloads 145
1737 Numerical Analysis of Bearing Capacity of Caissons Subjected to Inclined Loads

Authors: Hooman Dabirmanesh, Mahmoud Ghazavi, Kazem Barkhordari

Abstract:

A finite element modeling for determination of the bearing capacity of caissons subjected to inclined loads is presented in this paper. The model investigates the uplift capacity of the caisson with varying cross sectional area. To this aim, the behavior of the soil is assumed to be elasto-plastic, and its failure is controlled by Modified Cam-Clay failure criterion. The simulation takes into account the couple analysis. The approach is verified using available data from other research work especially centrifuge data. Parametric studies are subsequently performed to investigate the effect of contributing parameters such as aspect ratio of the caisson, the loading rate, the loading direction angle, and points where the external load is applied. In addition, the influence of the caisson geometry is taken into account. The results show the bearing capacity of the caisson increases with increasing the taper angle. Hence, the pullout capacity will increase using the same material. In addition, the bearing capacity of caissons strongly depends on the suction that is generated at tip and in sealed surface on top of caisson. Other results concerning the influencing factors will be presented.

Keywords: aspect ratio, finite element method, inclined load, modified Cam clay, taper angle, undrained condition

Procedia PDF Downloads 263