Search results for: toric calculations

Authors: Fereshteh Pourmohammad, Mehdi Zare

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The city of Karaj, having a population of 2.2 millions (est. 2022) is located in the South West of Alborz Mountain Belt in Northern Iran. The region is known to be a highly active seismic zone. This study is focused on the geological and seismological analyses within a radius of 200 km from the center of Karaj. There are identified five seismic zones and seven linear seismic sources. The maximum magnitude was calculated for the seismic zones. Scine tghe seismicity catalog is incomplete, we have used a parametric-historic algorithm and the Kijko and Sellevoll (1992) method was used to calculate seismicity parameters, and the return periods and the probability frequency of recurrence of the earthquake magnitude in each zone obtained for 475-years return period. According to the calculations, the highest and lowest earthquake magnitudes of 7.6 and 6.2 were respectively obtained in Zones 1 and 4. This result is a new and extremely important in view point of earthquake risk in a densely population city. The maximum strong horizontal ground motion for the 475-years return period 0.42g and for 2475-year return period 0.70g also the maximum strong vertical ground motion for 475-years return period 0.25g and 2475-years return period 0.44g was calculated using attenuation relationships. These acceleration levels are new, and are obtained to be about 25% higher than presented values in the Iranian building code.

Keywords: seismic zones, ground motion, return period, hazard analysis

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Authors: H. Gokdemir

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All structures are subject to vertical and lateral loads. Under these loads, structures make deformations and deformation values of structural elements mustn't exceed their capacity for structural stability. Especially, lateral loads cause critical deformations because of their random directions and magnitudes. Wind load is one of the lateral loads which can act in any direction and any magnitude. Although wind has nearly no effect on reinforced concrete structures, it must be considered for steel structures, roof systems and slender structures like minarets. Therefore, every structure must be able to resist wind loads acting parallel and perpendicular to any side. One of the effective methods for resisting lateral loads is assembling cross steel elements between columns which are called as wind bracing. These cross elements increases lateral rigidity of a structure and prevent exceeding of deformation capacity of the structural system. So, this means cross elements are also effective in resisting earthquake loads too. In this paper; Effects of wind bracing to earthquake resistance of structures are studied. Structure models (with and without wind bracing) are generated and these models are solved under both earthquake and wind loads with different seismic zone parameters. It is concluded by the calculations that; in low-seismic risk zones, wind bracing can easily resist earthquake loads and no additional reinforcement for earthquake loads is necessary. Similarly; in high-seismic risk zones, earthquake cross elements resist wind loads too.

Keywords: wind bracings, earthquake, steel structures, vertical and lateral loads

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Authors: Hendrik Bernard Van Der Walt, Frik Van Niekerk

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Heterogeneous thorium-based fuels have been proposed as an alternative for conventional reactor fuels and many studies have shown promising results. Fuel cycle characteristics still have to be explored in detail. This study investigates the use of a novel thorium-based fuel design aimed at increasing fuel cycle length of a typical PWR with an explicit focus on thorium- uranium content, neutron spectrum, flux considerations and neutron economy.As nuclear reactions are highly dependent on reactor flux and material matrix, analytical and numerical calculations have been completed to predict the behaviour of the proposed nuclear fuel. The proposed design utilizes various ratios of thorium oxide and uranium oxide pellets within fuel pins, divided into heterogeneous sections of specified length. This design renders multiple regions with unique characteristics. The goal of this study is to determine and optimally utilize these characteristics. Proliferation considerations result in the need for denaturing of heterogeneous regions, which renders more unique characteristics, these aspects were examined in this study. Finally, the use of fertile thorium to emulate a burnable poison for managing excess BOL reactivity has been investigated, as well as an option for flux shaping in a typical PWR.

Keywords: nuclear fuel, nuclear characteristics, nuclear fuel cycle, thorium-based fuel, heterogeneous design

Procedia PDF Downloads 114

Authors: Sakina Fatima, Joseph-Patrick W. E. Clarke, Patricia A. Thibault, Subha Kalyaanamoorthy, Michael Levin, Aravindhan Ganesan

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Heteronuclear ribonucleoprotein (hnRNPA1 or A1) is associated with the pathology of different diseases, including neurological disorders and cancers. In particular, the aggregation and dysfunction of A1 have been identified as a critical driver for neurodegeneration (NDG) in Multiple Sclerosis (MS). Structurally, A1 includes a low-complexity domain (LCD) and two RNA-recognition motifs (RRMs), and their interdomain coordination may play a crucial role in A1 aggregation. Previous studies propose that RNA-inhibitors or nucleoside analogs that bind to RRMs can potentially prevent A1 self-association. Therefore, molecular-level understanding of the structures, dynamics, and nucleotide interactions with A1 RRMs can be useful for developing therapeutics for NDG in MS. In this work, a combination of computational modelling and biochemical experiments were employed to analyze a set of RNA-A1 RRM complexes. Initially, the atomistic models of RNA-RRM complexes were constructed by modifying known crystal structures (e.g., PDBs: 4YOE and 5MPG), and through molecular docking calculations. The complexes were optimized using molecular dynamics simulations (200-400 ns), and their binding free energies were computed. The binding affinities of the selected complexes were validated using a thermal shift assay. Further, the most important molecular interactions that contributed to the overall stability of the RNA-A1 RRM complexes were deduced. The results highlight that adenine and guanine are the most suitable nucleotides for high-affinity binding with A1. These insights will be useful in the rational design of nucleotide-analogs for targeting A1 RRMs.

Keywords: hnRNPA1, molecular docking, molecular dynamics, RNA-binding proteins

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Authors: Marcia Silva, Jayme Kolarik, Brennon Garthwait, William Lee, Hai-Feng Zhang

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Adsorption of lead by a natural porous material was studied to establish a baseline for the removal of heavy metals from drinking and waste water. Samples were examined under different conditions such as solution pH, solution concentration, solution temperature, and exposure time. New materials with potentially enhanced adsorption properties were developed by functionalizing the surface of the natural porous material to fabricate graphene based coated and sulfide based treated porous material. The functionalized materials were characterized with Fourier Transform Infrared Spectroscopy (FTIR), Raman, Thermogravimetric Analysis (TGA) and Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) techniques. Solution pH effect on removal efficiency has been investigated in acidic (pH = 4), neutral (pH = 6) and basic (pH = 10) pH levels. All adsorbent materials showed highest adsorption capacities at neutral pH levels. Batch experiment was employed to assess the efficacy for the removal of lead with the sorption kinetics and the adsorption isotherms being determined for the natural and treated porous materials. The addition of graphene-based and sulfide-based materials increased the lead removal capacity of the natural clean porous material. Theoretical calculations confirmed pseudo-second order model as kinetic mechanism for lead adsorption for all adsorbents.

Keywords: heavy metals, ion exchange, adsorption, water remediation

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Authors: Jiang Zhenbo, Ishikura Ryohei, Yasufuku Noriyuki

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Improvement of soft clay deposits by the combination of surface stabilization and floating type cement-treated columns is one of the most popular techniques worldwide. On the basis of one dimensional consolidation model, a time-dependent skin friction model for the column-soil interaction is proposed. The nonlinear relationship between column shaft shear stresses and effective vertical pressure of the surrounding soil can be described in this model. The influence of column-soil surface roughness can be represented using a roughness coefficient R, which plays an important role in the design of column length. Based on the homogenization method, a part of floating type improved ground will be treated as an unimproved portion, which with a length of αH1 is defined as a time-dependent equivalent skin friction length. The compression settlement of this unimproved portion can be predicted only using the soft clay parameters. Apart from calculating the settlement of this composited ground, the load transfer mechanism is discussed utilizing model tests. The proposed model is validated by comparing with calculations and laboratory results of model and ring shear tests, which indicate the suitability and accuracy of the solutions in this paper.

Keywords: floating type improved foundation, time-dependent skin friction, roughness, consolidation

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Authors: Anders S. Kristensen, Dewan Ahsan, Saqib Mehmood, Shakeel Ahmed

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Traffic accidents are a result of the convergence of hazards, malfunctioning of vehicles and human negligence that have adverse economic and health impacts and effects. Unfortunately, avoiding them completely is very difficult, but with quick response to rescue and first aid, the mortality rate of inflicted persons can be reduced significantly. Smart and innovative technologies can play a pivotal role to respond faster to traffic crash emergencies comparing conventional means of transportation. For instance, Rescue Emergency Drone (RED) can provide faster and real-time crash site risk assessment to emergency medical services, thereby helping them to quickly and accurately assess a situation, dispatch the right equipment and assist bystanders to treat inflicted person properly. To conduct a research in this regard, the case of a traffic roundabout that is prone to frequent traffic accidents on the outskirts of Esbjerg, a town located on western coast of Denmark is hypothetically considered. Along with manual calculations, Emergency Disaster Management Simulation (EDMSIM) has been used to verify the response time of RED from a fire station of the town to the presumed crash site. The results of the study demonstrate the robustness of RED into emergency services to help save lives. 

Keywords: automated external defibrillator, medical emergency, response time, unmanned aerial system

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Authors: Omar Bouhassoun, Cristian Garrido, César Hueso

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The radiation shielding design is an optimization problem with multiple -constrained- objective functions (radiation dose, weight, price, etc.) that depend on several parameters (material, thickness, position, etc.). The classical approach for shielding design consists of a brute force trial-and-error process subject to previous designer experience. Therefore, the result is an empirical solution but not optimal, which can degrade the overall performance of the shielding. In order to automate the shielding design procedure, the IDOM Shielding Optimization Tool (ISOT) has been developed. This software combines optimization algorithms with the capabilities to read/write input files, run calculations, as well as parse output files for different radiation transport codes. In the first stage, the software was established to adjust the input files for two well-known Monte Carlo codes (MCNP and Serpent) and optimize the result (weight, volume, price, dose rate) using multi-objective genetic algorithms. Nevertheless, its modular implementation easily allows the inclusion of more radiation transport codes and optimization algorithms. The work related to the development of ISOT and its verification on a simple 3D multi-layer shielding problem using both MCNP and Serpent will be presented. ISOT looks very promising for achieving an optimal solution to complex shielding problems.

Keywords: optimization, shielding, nuclear, genetic algorithm

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Authors: Revoti Prasad Bora, Nikita Katyal

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Promotion is a key element in the retail business. Thus, analysis of promotions to quantify their effectiveness in terms of Revenue and/or Margin is an essential activity in the retail industry. However, measuring the sales/revenue uplift is based on estimations, as the actual sales/revenue without the promotion is not present. Further, the presence of Halo and Cannibalization in a multiple parallel promotions’ scenario complicates the problem. Calculating Baseline by considering inter-brand/competitor items or using Halo and Cannibalization's impact on Revenue calculations by considering Baseline as an interpretation of items’ unit sales in neighboring nonpromotional weeks individually may not capture the overall Revenue uplift in the case of multiple parallel promotions. Hence, this paper proposes a Machine Learning based method for calculating the Revenue uplift by considering the Halo and Cannibalization impact on the Baseline and the Revenue. In the first section of the proposed methodology, Baseline of an item is calculated by incorporating the impact of the promotions on its related items. In the later section, the Revenue of an item is calculated by considering both Halo and Cannibalization impacts. Hence, this methodology enables correct calculation of the overall Revenue uplift due a given promotion.

Keywords: Halo, Cannibalization, promotion, Baseline, temporary price reduction, retail, elasticity, cross price elasticity, machine learning, random forest, linear regression

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Authors: Hao Qu, Xiang Liu, Michael Crosby, Brian Kozak, Andreas K. Freund

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The outstanding performance of highly oriented pyrolytic graphite (HOPG) as an optical element for neutron beam conditioning is unequaled by any other crystalline material in the applications of monochromator, analyzer, and filter. This superiority stems from the favorable nuclear properties of carbon (small absorption and incoherent scattering cross-sections, big coherent scattering length) and the specific crystalline structure (small thermal diffuse scattering cross-section, layered crystal structure). The real crystal defect structure revealed by imaging techniques is correlated with the parameters used in the mosaic model (mosaic spread, mosaic block size, uniformity). The diffraction properties (rocking curve width as determined by both the intrinsic mosaic spread and the diffraction process, peak and integrated reflectivity, filter transmission) as a function of neutron wavelength or energy can be predicted with high accuracy and reliability by diffraction theory using empirical primary extinction coefficients extracted from a great amount of existing experimental data. The results of these calculations are given as graphs and tables permitting to optimize HOPG characteristics (mosaic spread, thickness, curvature) for any given experimental situation.

Keywords: neutron optics, pyrolytic graphite, mosaic spread, neutron scattering, monochromator, analyzer

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Authors: Kreso Ivandic, Filip Dodigovic, Damir Stuhec

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The paper deals with the proposed 'Material' and 'Action-resistance factor' design methods in designing the embedded retaining walls. The parametric analysis of evaluating the differences of the output values mutually and compared with classic approach computation was performed. There is a challenge with the criteria for choosing the proposed calculation design methods in Eurocode 7 with respect to current technical regulations and regular engineering practice. The basic criterion for applying a particular design method is to ensure minimum an equal degree of reliability in relation to the current practice. The procedure of combining the relevant partial coefficients according to design methods was carried out. The use of mentioned partial coefficients should result in the same level of safety, regardless of load combinations, material characteristics and problem geometry. This proposed approach of the partial coefficients related to the material and/or action-resistance should aimed at building a bridge between calculations used so far and pure probability analysis. The measure to compare the results was to determine an equivalent safety factor for each analysis. The results show a visible wide span of equivalent values of the classic safety factors.

Keywords: action-resistance factor design, classic approach, embedded retaining wall, Eurocode 7, limit states, material factor design

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Authors: Ashfaque Hossain Khan, Brian Thomson, Ratan Debnath, Abhishek Motayed, Mulpuri V. Rao

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Though the efforts had been made, the problem of cross-sensitivity for a single metal oxide-based sensor can’t be fully eliminated. In this work, a sensor array has been designed and fabricated comprising of platinum (Pt), copper (Cu), and silver (Ag) decorated TiO2 and ZnO functionalized GaN nanowires using industry-standard top-down fabrication approach. The metal/metal-oxide combinations within the array have been determined from prior molecular simulation study using first principle calculations based on density functional theory (DFT). The gas responses were obtained for both single and mixture of NO2, SO2, ethanol, and H2 in the presence of H2O and O2 gases under UV light at room temperature. Each gas leaves a unique response footprint across the array sensors by which precise discrimination of cross-sensitive gases has been achieved. An unsupervised principal component analysis (PCA) technique has been implemented on the array response. Results indicate that each gas forms a distinct cluster in the score plot for all the target gases and their mixtures, indicating a clear separation among them. In addition, the developed array device consumes very low power because of ultra-violet (UV) assisted sensing as compared to commercially available metal-oxide sensors. The nanowire sensor array, in combination with PCA, is a potential approach for precise real-time gas monitoring applications.

Keywords: cross-sensitivity, gas sensor, principle component analysis (PCA), sensor array

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Authors: J. S. Rudas, J. M. Gutiérrez Cabeza, A. Corz Rodríguez, L. M. Gómez, A. O. Toro

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The prediction of the wear rate of rubbing pairs has attracted the interest of many researchers for years. It has been recently proposed that the sliding wear rate can be inferred from the calculation of the energy rate dissipated by the tribological pair. In this paper some of the dissipative mechanisms present in a pin-on-disc configuration are discussed and both analytical and numerical calculations are carried out. Three dissipative mechanisms were studied: First, the energy release due to temperature gradients within the solid; second, the heat flow from the solid to the environment, and third, the energy loss due to abrasive damage of the surface. The Finite Element Method was used to calculate the dynamics of heat transfer within the solid, with the aid of commercial software. Validation the FEM model was assisted by virtual and laboratory experimentation using different operating points (sliding velocity and geometry contact). The materials for the experiments were Ti6Al4V alloy and Tungsten Carbide (WC-Co). The results showed that the sliding wear rate has a linear relationship with the energy dissipation flow. It was also found that energy loss due to micro-cutting is relevant for the system. This mechanism changes if the sliding velocity and pin geometry are modified though the degradation coefficient continues to present a linear behavior. We found that the less relevant dissipation mechanism for all the cases studied is the energy release by temperature gradients in the solid.

Keywords: degradation, dissipative mechanism, dry sliding, entropy, friction, wear

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Authors: Isha Saxena, Behzad Kazemtabrizi, Matthias C. M. Troffaes, Christopher Crabtree

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The calculations done at the beginning of the life of a wind farm are rarely reliable, which makes it important to conduct research and study the failure and repair rates of the wind turbines under various conditions. This miscalculation happens because the current models make a simplifying assumption that the failure/repair rate remains constant over time. This means that the reliability function is exponential in nature. This research aims to create a more accurate model using sensory data and a data-driven approach. The data cleaning and data processing is done by comparing the Power Curve data of the wind turbines with SCADA data. This is then converted to times to repair and times to failure timeseries data. Several different mathematical functions are fitted to the times to failure and times to repair data of the wind turbine components using Maximum Likelihood Estimation and the Posterior expectation method for Bayesian Parameter Estimation. Initial results indicate that two parameter Weibull function and exponential function produce almost identical results. Further analysis is being done using the complex system analysis considering the failures of each electrical and mechanical component of the wind turbine. The aim of this project is to perform a more accurate reliability analysis that can be helpful for the engineers to schedule maintenance and repairs to decrease the downtime of the turbine.

Keywords: reliability, bayesian parameter inference, maximum likelihood estimation, weibull function, SCADA data

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Authors: F. S. Kadhim, A. Samsuri, H. Alwan

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Well logging records can help to answer many questions from a wide range of special interested information and basic petrophysical properties to formation evaluation of oil and gas reservoirs. The accurate calculations of porosity in carbonate reservoirs are the most challenging aspects of well log analysis. Many equations have been developed over the years based on known physical principles or on empirically derived relationships, which are used to calculate porosity, estimate lithology and water saturation; however these parameters are calculated from well logs by using modern technique in a current study. Nasiriya (NS) oilfield is one of giant oilfields in the Middle East, and the formation under study is the Mishrif carbonate formation which is the shallowest hydrocarbon bearing zone in the NS oilfield. Neurolog software (V5, 2008) was used to digitize the scanned copies of the available logs. Environmental corrections had been made as per Schlumberger charts 2005, which supplied in the Interactive Petrophysics software (IP, V3.5, 2008). Three saturation models have been used to calculate water saturation of carbonate formations, which are simple Archie equation, Dual water model, and Indonesia model. Results indicate that the Mishrif formation consists mainly of limestone, some dolomite and shale. The porosity interpretation shows that the logging tools have a good quality after making the environmental corrections. The average formation water saturation for Mishrif formation is around 0.4-0.6.This study is provided accurate behavior of petrophysical properties with depth for this formation by using modern software.

Keywords: lithology, porosity, water saturation, carbonate formation, mishrif formation

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Authors: Tim Nikolsky

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This paper seeks to explore the different ways in which music producers choose to embrace various levels of technology based on musical values, objectives, affordability, access and workflow benefits. Current digital audio production workflow is questioned. Engineers and music producers of today are increasingly divorced from the tangibility of music production. Making music no longer requires you to reach over and turn a knob. Ideas of authenticity in music production are being redefined. Calculations from the mathematical algorithm with the pretty pictures are increasingly being chosen over hardware containing transformers and tubes. Are mouse clicks and movements equivalent or inferior to the master brush strokes we are seeking to conjure? We are making audio production decisions visually by constantly looking at a screen rather than listening. Have we compromised our music objectives and values by removing the ‘hands-on’ nature of music making? DAW interfaces are making our musical decisions for us not necessarily in our best interests. Technological innovation has presented opportunities as well as challenges for education. What do music production students actually need to learn in a formalised education environment, and to what extent do they need to know it? In this brave new world of omnipresent music creation tools, do we still need tangibility in music production? Interviews with prominent Australian music producers that work in a variety of fields will be featured in this paper, and will provide insight in answering these questions and move towards developing an understanding how tangibility can be rediscovered in the next generation of music production.

Keywords: analogue, digital, digital audio workstation, music production, plugins, tangibility, technology, workflow

Procedia PDF Downloads 256

Authors: Zainab Fadhil Al Toki, Nader Ghareeb

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This study investigates how lightweight a fire resistance door will perform with under types of insulation materials. Data is initially collected from various websites, scientific books and research papers. Results show that different layers of insulation in a single door can perform better than one insulator. Furthermore, insulation materials that are lightweight, high strength and low thermal conductivity are the most preferred for fire-rated doors. Whereas heavy weight, low strength, and high thermal conductivity are least preferred for fire resistance doors. Fire-rated door specifications, theoretical test methodology, structural analysis, and comparison between five different models with diverse layers insulations are presented. Five different door models are being investigated with different insulation materials and arrangements. Model 1 contains an air gap between door layers. Model 2 includes phenolic foam, mild steel and polyurethane. Model 3 includes phenolic foam and glass wool. Model 4 includes polyurethane and glass wool. Model 5 includes only rock wool between the door layers. It is noticed that model 5 is the most efficient model, and its design is simple compared to other models. For this model, numerical calculations are performed to check its efficiency and the results are compared to data from experiments for validation. Good agreement was noticed.

Keywords: fire resistance, insulation, strength, thermal conductivity, lightweight, layers

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Authors: Maximilian A. Richter

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The public authority needs to understand the role and impacts of autonomous vehicle (AV) on the mobility system. At present, however, research shows that the impact of AV on cities varies. As a consequence, it is difficult to make recommendations to policymakers on how they should prepare for the future when so much remains unknown about this technology. The study aims to provide an overview of the literature on how autonomous vehicles will affect the cities and traffic of the future. To this purpose, the most important studies are first selected, and their results summarized. Further on, it will be clarified which advantages AV have for cities and how it can lead to an improvement in the current problems/challenges of cities. To achieve the research aim and objectives, this paper approaches a literature review. For this purpose, in a first step, the most important studies are extracted. This is limited to studies that are peer-reviewed and have been published in high-ranked journals such as the Journal of Transportation: Part A. In step 2, the most important key performance indicator (KPIs) (such as traffic volume or energy consumption) are selected from the literature research. Due to the fact that different terms are used in the literature for similar statements/KPIs, these must first be clustered. Furthermore, for each cluster, the changes from the respective studies are compiled, as well as their survey methodology. In step 3, a sensitivity analysis per cluster is made. Here, it will be analyzed how the different studies come to their findings and on which assumptions, scenarios, and methods these calculations are based. From the results of the sensitivity analysis, the success factors for the implementation of autonomous vehicles are drawn, and statements are made under which conditions AVs can be successful.

Keywords: autonomous vehicles, city of the future, literature review, traffic simulations

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Authors: Sergey Kopysov, Nikita Nedozhogin, Leonid Tonkov

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The article presents a parallel iterative solver for large sparse linear systems which can be used on a heterogeneous platform. Traditionally, the problem of solving linear systems does not scale well on multi-CPU/multi-GPUs clusters. For example, most of the attempts to implement the classical conjugate gradient method were at best counted in the same amount of time as the problem was enlarged. The paper proposes the pipelined variant of the conjugate gradient method (PCG), a formulation that is potentially better suited for hybrid CPU/GPU computing since it requires only one synchronization point per one iteration instead of two for standard CG. The standard and pipelined CG methods need the vector entries generated by the current GPU and other GPUs for matrix-vector products. So the communication between GPUs becomes a major performance bottleneck on multi GPU cluster. The article presents an approach to minimize the communications between parallel parts of algorithms. Additionally, computation and communication can be overlapped to reduce the impact of data exchange. Using the pipelined version of the CG method with one synchronization point, the possibility of asynchronous calculations and communications, load balancing between the CPU and GPU for solving the large linear systems allows for scalability. The algorithm is implemented with the combined use of technologies: MPI, OpenMP, and CUDA. We show that almost optimum speed up on 8-CPU/2GPU may be reached (relatively to a one GPU execution). The parallelized solver achieves a speedup of up to 5.49 times on 16 NVIDIA Tesla GPUs, as compared to one GPU.

Keywords: conjugate gradient, GPU, parallel programming, pipelined algorithm

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Authors: Junie B. Billones, Maria Constancia O. Carrillo, Voltaire G. Organo, Stephani Joy Y. Macalino, Inno A. Emnacen, Jamie Bernadette A. Sy

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One of the major interferences in the Philippines’ tuberculosis control program is the widespread prevalence of Mtb strains that are resistant to known drugs, such as the MDR-TB (Multi Drug Resistant Tuberculosis) and XDR-TB (Extensively Drug Resistant Tuberculosis). Therefore, there is a pressing need to search for novel Mtb drug targets in order to be able to combat these drug resistant strains. The enzyme 7,8-diaminopelargonic acid aminotransferase enzyme, or more commonly known as BioA, is one such ideal target, as it is known that humans do not possess this enzyme. BioA primarily plays a key role in Mtb’s lipid biosynthesis pathway; more specifically in the synthesis of the enzyme cofactor biotin. In this study, structure-based pharmacophore screening, docking, and ADMET evaluation of compounds obtained from the DrugBank chemical database were performed against the MtbBioA enzyme. Results of the screening, docking, ADMET, and TOPKAT calculations revealed that out of the 6,516 compounds in the library, only 7 compounds indicated more favorable binding energies as compared to the enzyme’s known inhibitor, amiclenomycin (ACM), as well as good solubility and toxicity properties. Moreover, out of these 7 compounds, Molecule 6 exhibited the best solubility and toxicity properties. In the future, these lead compounds may then be subjected to bioactivity assays in vitro or in vivo for further evaluation of its therapeutic efficacy.

Keywords: 7, 8-diaminopelargonic acid aminotransferase, BioA, pharmacophore, molecular docking, ADMET, TOPKAT

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Authors: Sundara Subramanian Karuppasamy, Che Hua Yang

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In this work, the laser ultrasound technique has been used for analyzing and imaging the inner defects in metal blocks. To detect the defects in blocks, traditionally the researchers used piezoelectric transducers for the generation and reception of ultrasonic signals. These transducers can be configured into the sparse and phased array. But these two configurations have their drawbacks including the requirement of many transducers, time-consuming calculations, limited bandwidth, and provide confined image resolution. Here, we focus on the non-contact method for generating and receiving the ultrasound to examine the inner defects in aluminum blocks. A Q-switched pulsed laser has been used for the generation and the reception is done by using Laser Doppler Vibrometer (LDV). Based on the Doppler effect, LDV provides a rapid and high spatial resolution way for sensing ultrasonic waves. From the LDV, a series of scanning points are selected which serves as the phased array elements. The side-drilled hole of 10 mm diameter with a depth of 25 mm has been introduced and the defect is interrogated by the linear array of scanning points obtained from the LDV. With the aid of the Synthetic Aperture Focusing Technique (SAFT) algorithm, based on the time-shifting principle the inspected images are generated from the A-scan data acquired from the 1-D linear phased array elements. Thus the defect can be precisely detected with good resolution.

Keywords: laser ultrasonics, linear phased array, nondestructive testing, synthetic aperture focusing technique, ultrasonic imaging

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Authors: M. Wasy Akhtar

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Multi-modal film boiling simulations are carried out on adaptive octree grids. The liquid-vapor interface is captured using the volume-of-fluid framework adjusted to account for exchanges of mass, momentum, and energy across the interface. Surface tension effects are included using a volumetric source term in the momentum equations. The phase change calculations are conducted based on the exact location and orientation of the interface; however, the source terms are calculated using the mixture variables to be consistent with the one field formulation used to represent the entire fluid domain. The numerical model on octree representation of the computational grid is first verified using test cases including advection tests in severely deforming velocity fields, gravity-based instabilities and bubble growth in uniformly superheated liquid under zero gravity. The model is then used to simulate both single and multi-modal film boiling simulations. The octree grid is dynamically adapted in order to maintain the highest grid resolution on the instability fronts using markers of interface location, volume fraction, and thermal gradients. The method thus provides an efficient platform to simulate fluid instabilities with or without phase change in the presence of body forces like gravity or shear layer instabilities.

Keywords: boiling flows, dynamic octree grids, heat transfer, interface capturing, phase change

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Authors: M. Nadeem, Y. K. Chang, C. Diallo, U. Venkatadri, P. Havard, T. Nguyen-Quang

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Uniform distribution of agro-chemicals is highly important because there is a significant loss of agro-chemicals, for example from pesticide, during spraying due to non-uniformity of droplet and off-target drift. Improving the efficiency of spray pattern for different cropping systems would reduce energy, costs and to minimize environmental pollution. In this paper, we examine the water jet patterns in order to study the performance and uniformity of water distribution during the spraying process. We present a method to quantify the water amount from a sprayer jet by using the Particle Image Velocimetry (PIV) system. The results of the study will be used to optimize sprayer or nozzles design for chemical application. For this study, ten sets of images were acquired by using the following PIV system settings: double frame mode, trigger rate is 4 Hz, and time between pulsed signals is 500 µs. Each set of images contained different numbers of double-framed images: 10, 20, 30, 40, 50, 60, 70, 80, 90 and 100 at eight different pressures 25, 50, 75, 100, 125, 150, 175 and 200 kPa. The PIV images obtained were analysed using custom-made image processing software for droplets and volume calculations. The results showed good agreement of both manual and PIV measurements and suggested that the PIV technique coupled with image processing can be used for a precise quantification of flow through nozzles. The results also revealed that the method of measuring fluid flow through PIV is reliable and accurate for sprayer patterns.

Keywords: image processing, PIV, quantifying the water volume from nozzle, spraying pattern

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Authors: E. H. Uguru, S. F. A. Sani, M. U. Khandaker, M. H. Rabir

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The beginning of cycle transient safety parameters is paramount for smooth reactor operation. The enhanced operational safety of UO₂ fuelled AP1000 reactor being the first using three fissile enrichment zones motivated this research for (Th, U)O₂ fuel. This study evaluated the impact of fissile enrichment, soluble boron, and gadolinia on the transient safety parameters to determine the basis for choosing the three fissile enrichment zones. Fuel assembly and core model of Westinghouse small modular reactor were investigated using different fuel and reactivity control arrangements. The Monte Carlo N-Particle eXtended (MCNPX) integrated with CINDER90 burn-up code was used for the calculations. The results show that the moderator temperature coefficient of reactivity (MTC) and the fuel temperature coefficient of reactivity (FTC) were respectively negative and decreased with increasing fissile enrichment. Soluble boron significantly decreased the MTC but slightly increased FTC while gadolinia followed the same trend with a minor impact. However, the MTC and FTC respectively decreased significantly with increasing change in temperature. These results provide a guide on the considerable factors in choosing the three fissile enrichment zones for (Th, U)O₂ fuel in anticipation of their impact on safety parameters. Therefore, this study provides foundational results on the factors that must be considered in choosing three fissile arrangement zones for (Th, U)O₂ fuel.

Keywords: reactivity, safety parameters, small modular reactor, soluble boron, thorium fuel cycle

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Authors: Ademuyiwa Agbonyin, Stamatis Zoras, Mohammad Zandi

Abstract:

This paper investigates the extent to which building energy modelling can be informed based on preliminary information provided by infrared thermography using a thermal imaging camera in a walkthrough audit. The case-study building is the Sheffield Cathedral, built in the early 1400s. Based on an informative qualitative report generated from the thermal images taken at the site, the regions showing significant heat loss are input into a computer model of the cathedral within the integrated environmental solution (IES) virtual environment software which performs an energy simulation to determine quantitative heat losses through the building envelope. Building data such as material thermal properties and building plans are provided by the architects, Thomas Ford and Partners Ltd. The results of the modelling revealed the portions of the building with the highest heat loss and these aligned with those suggested by the thermal camera. Retrofit options for the building are also considered, however, may not see implementation due to a desire to conserve the architectural heritage of the building. Results show that thermal imaging in a walk-through audit serves as a useful guide for the energy modelling process. Hand calculations were also performed to serve as a 'control' to estimate losses, providing a second set of data points of comparison.

Keywords: historic buildings, energy retrofit, thermal comfort, software modelling, energy modelling

Procedia PDF Downloads 145

Authors: Ncoza Dlova, Tivani Mashamba-Thompson

Abstract:

Garcinia livingstonei (Clusiaceae) extracts, morelloflavone- 7″- sulphate and sargaol were shown to be effective against hyper-pigmentation through inhibition of tyrosinase enzyme, in vitro . The aim of this study is to elucidate the structural mechanism through which morelloflavone- 7″- sulphate and sargaol binds human tyrosinase. Implementing a homology model to construct a tyrosinase model using the crystal structure of a functional unit from Octopus hemocyanin (PDB: 1JS8) as a reference template enabled us to create a human tyrosinase model. Molecular dynamics and binding free energy calculations were optimized to enable molecular dynamics simulation of the copper dependent inhibitors. Results show the importance of the hydrogen bond formation morelloflavone- 7″- sulphate and sargaol between compound and active site residues. Both complexes demonstrated the metallic coordination between compound and arginine residue as well as copper ions within the active site. The comprehensive molecular insight gained from this study should be vital in understanding the binding mechanism morelloflavone- 7″- sulphate and sargaol. Moreover, these results will assist in the design of novel of metal ion dependent enzyme inhibitors as potential anti-hyper-pigmentation disorder therapies.

Keywords: hyper-pigmentation disorders, dyschromia African skin, morelloflavone- 7″- sulphate, sagoal

Procedia PDF Downloads 381

Authors: Natheer Alatawneh

Abstract:

The finite element analysis of magnetic fields in electromagnetic devices shows that the machine cores experience different flux patterns including alternating and rotating fields. The rotating fields are generated in different configurations range between circular and elliptical with different ratios between the major and minor axis of the flux locus. Experimental measurements on electrical steel exposed to different flux patterns disclose different magnetic losses in the samples under test. Consequently, electric machines require special attention during the cores loss calculation process to consider the flux patterns. In this study, a circular rotational single sheet tester is employed to measure the core losses in electric steel sample of M36G29. The sample was exposed to alternating field, circular field, and elliptical fields with axis ratios of 0.2, 0.4, 0.6 and 0.8. The measured data was implemented on 6-4 switched reluctance motor at three different frequencies of interest to the industry as 60 Hz, 400 Hz, and 1 kHz. The results disclose a high margin of error that may occur during the loss calculations if the flux patterns issue is neglected. The error in different parts of the machine associated with considering the flux patterns can be around 50%, 10%, and 2% at 60Hz, 400Hz, and 1 kHz, respectively. The future work will focus on the optimization of machine geometrical shape which has a primary effect on the flux pattern in order to minimize the magnetic losses in machine cores.

Keywords: alternating core losses, electric machines, finite element analysis, rotational core losses

Procedia PDF Downloads 236

Authors: Oshada Gamage, Chamal Wimalasooriya, Chrismal Boteju, W. K. Wimalsiri

Abstract:

This paper presents a study on the feasibility of introducing a solar powered propelling mechanism to multi-day fishing boats as an alternative energy source. Since solar energy is readily available on the sea throughout the year, this free energy could be utilized to power multi-day fishing vessels. Multi-day boats have a large deck area where solar panels can be mounted above without much effort. This project involves studying the amount of power that can be generated using onboard solar panels and implementing an independent propelling system to run the boat. A chain drive system was designed to propel the boat, when the batteries are fully charged, from an electric motor using the same propeller. A 60 feet multi-day fishing boat built by a local boat manufacturer was chosen for the study. The service speed of the boat was around 6 knots with the electric motor, and the duration of cruising is 1 hour per day with around 11 hours of charging. 350-watt Mono-crystalline PV module, 75 kW HVH type motor, and 10 kWh lithium-ion battery packs were chosen for the study. From the calculations, it was obtained that the boat has 30 PV modules (10.5 kW), 5 batteries (47 kWh), The boat dimensions are 20 meter length of water line, 5.51 meter of beam, 1.8 meter of draught, and 77 ton of total displacement with the PV system net present value of USD 12445 for 20 years of operation and a payback period of around 8.2 years.

Keywords: multiday fishing boats, photovoltaic cells, solar energy, solar powered boat

Procedia PDF Downloads 133

Authors: Mohamed Abbas, Ramesh Singh

Abstract:

This study investigates the hydrothermal aging behavior of undoped and copper oxide-doped alumina-toughened zirconia (ATZ). The ATZ ceramic composites underwent conventional sintering at temperatures ranging from 1250 to 1500°C with a holding time of 12 minutes. XRD analysis revealed a stable 100% tetragonal phase for conventionally sintered ATZ samples up to 1450°C, even after 100 hours of exposure. At 1500℃, XRD patterns of both undoped and doped ATZ samples showed no phase transformation after up to 3 hours of exposure to superheated steam. Extended exposure, however, resulted in phase transformation beyond 10 hours. CuO-doped ATZ samples initially exhibited lower monoclinic content, gradually increasing with aging. Undoped ATZ demonstrated better-aging resistance, maintaining ~40% monoclinic content after 100 hours. FESEM images post-aging revealed surface roughness changes due to the tetragonal-to-monoclinic phase transformation, with limited nucleation in the largest tetragonal grains. Fracture analysis exhibited macrocracks and microcracks on the transformed surface layer after aging. This study found that 0.2wt% CuO doping did not prevent the low-temperature degradation (LTD) phenomenon at elevated temperatures. Transformation zone depth (TZD) calculations supported the trend observed in the transformed monoclinic phase.

Keywords: alumina toughened zirconia, conventional sintering, copper oxide, hydrothermal ageing

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Authors: Anthony Iyenjamu, Josiah Adeyemo

Abstract:

Due to the increasing water scarcity in South Africa, the prime focus of irrigation in South Africa shifts to creating feasible water sources and the efficient use of these sources. These irrigation systems in South Africa are implemented because of low and erratic rainfall and high evaporative demand. Irrigation contributes significantly to crop production in South Africa, as the mean annual precipitation for the country is usually less than 500mm. This is considered to be the minimum required for rain fed cropping. Even though the rainfall is low, a lot of the water in various areas in South Africa is lost due to runoff into storm water systems that run to the rivers and eventually into the sea. This study reviews the irrigation systems in South Africa which can be vastly improved by creating irrigation dams. A method of which may seem costly at first but rewarding with time. The study investigates the process of creating dam capacity capable of sustaining a suitable area size of land to be irrigated and thus diverting all runoff into these dams. This type of infrastructure method vastly improves various sectors in our irrigation systems. Extensive research is carried out in the surrounding area in which the dam should be constructed. Rainfall patterns and rainfall data is used for calculations of which period the dam will be at its optimum using rainfall. The size of the area irrigated was used to calculate the size of the irrigation dam to be constructed. The location of the dam must be situated as close to the river as possible to minimize the excessive use of pipelines to the dam. This study also investigated all existing resources to alleviate the cost. It was found that irrigation dams could solve the erratic distribution of rainfall in South Africa for irrigation purposes.

Keywords: irrigation, rainfed, rain harvesting, reservoir

Procedia PDF Downloads 259