Search results for: surface mechanical property analysis
34493 Experimental Assessment of Micromechanical Models for Mechanical Properties of Recycled Short Fiber Composites
Authors: Mohammad S. Rouhi, Magdalena Juntikka
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Processing of polymer fiber composites has a remarkable influence on their mechanical performance. These mechanical properties are even more influenced when using recycled reinforcement. Therefore, we place particular attention on the evaluation of micromechanical models to estimate the mechanical properties and compare them against the experimental results of the manufactured composites. For the manufacturing process, an epoxy matrix and carbon fiber production cut-offs as reinforcing material are incorporated using a vacuum infusion process. In addition, continuous textile reinforcement in combination with the epoxy matrix is used as reference material to evaluate the kick-down in mechanical performance of the recycled composite. The experimental results show less degradation of the composite stiffness compared to the strength properties. Observations from the modeling also show the same trend as the error between the theoretical and experimental results is lower for stiffness comparisons than the strength calculations. Yet still, good mechanical performance for specific applications can be expected from these materials.Keywords: composite recycling, carbon fibers, mechanical properties, micromechanics
Procedia PDF Downloads 16134492 Mathematical Modeling and Optimization of Burnishing Parameters for 15NiCr6 Steel
Authors: Tarek Litim, Ouahiba Taamallah
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The present paper is an investigation of the effect of burnishing on the surface integrity of a component made of 15NiCr6 steel. This work shows a statistical study based on regression, and Taguchi's design has allowed the development of mathematical models to predict the output responses as a function of the technological parameters studied. The response surface methodology (RSM) showed a simultaneous influence of the burnishing parameters and observe the optimal processing parameters. ANOVA analysis of the results resulted in the validation of the prediction model with a determination coefficient R=90.60% and 92.41% for roughness and hardness, respectively. Furthermore, a multi-objective optimization allowed to identify a regime characterized by P=10kgf, i=3passes, and f=0.074mm/rev, which favours minimum roughness and maximum hardness. The result was validated by the desirability of D= (0.99 and 0.95) for roughness and hardness, respectively.Keywords: 15NiCr6 steel, burnishing, surface integrity, Taguchi, RSM, ANOVA
Procedia PDF Downloads 19134491 Towards the Rapid Synthesis of High-Quality Monolayer Continuous Film of Graphene on High Surface Free Energy Existing Plasma Modified Cu Foil
Authors: Maddumage Don Sandeepa Lakshad Wimalananda, Jae-Kwan Kim, Ji-Myon Lee
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Graphene is an extraordinary 2D material that shows superior electrical, optical, and mechanical properties for the applications such as transparent contacts. Further, chemical vapor deposition (CVD) technique facilitates to synthesizing of large-area graphene, including transferability. The abstract is describing the use of high surface free energy (SFE) and nano-scale high-density surface kinks (rough) existing Cu foil for CVD graphene growth, which is an opposite approach to modern use of catalytic surfaces for high-quality graphene growth, but the controllable rough morphological nature opens new era to fast synthesis (less than the 50s with a short annealing process) of graphene as a continuous film over conventional longer process (30 min growth). The experiments were shown that high SFE condition and surface kinks on Cu(100) crystal plane existing Cu catalytic surface facilitated to synthesize graphene with high monolayer and continuous nature because it can influence the adsorption of C species with high concentration and which can be facilitated by faster nucleation and growth of graphene. The fast nucleation and growth are lowering the diffusion of C atoms to Cu-graphene interface, which is resulting in no or negligible formation of bilayer patches. High energy (500W) Ar plasma treatment (inductively Coupled plasma) was facilitated to form rough and high SFE existing (54.92 mJm-2) Cu foil. This surface was used to grow the graphene by using CVD technique at 1000C for 50s. The introduced kink-like high SFE existing point on Cu(100) crystal plane facilitated to faster nucleation of graphene with a high monolayer ratio (I2D/IG is 2.42) compared to another different kind of smooth morphological and low SFE existing Cu surfaces such as Smoother surface, which is prepared by the redeposit of Cu evaporating atoms during the annealing (RRMS is 13.3nm). Even high SFE condition was favorable to synthesize graphene with monolayer and continuous nature; It fails to maintain clean (surface contains amorphous C clusters) and defect-free condition (ID/IG is 0.46) because of high SFE of Cu foil at the graphene growth stage. A post annealing process was used to heal and overcome previously mentioned problems. Different CVD atmospheres such as CH4 and H2 were used, and it was observed that there is a negligible change in graphene nature (number of layers and continuous condition) but it was observed that there is a significant difference in graphene quality because the ID/IG ratio of the graphene was reduced to 0.21 after the post-annealing with H2 gas. Addition to the change of graphene defectiveness the FE-SEM images show there was a reduction of C cluster contamination of the surface. High SFE conditions are favorable to form graphene as a monolayer and continuous film, but it fails to provide defect-free graphene. Further, plasma modified high SFE existing surface can be used to synthesize graphene within 50s, and a post annealing process can be used to reduce the defectiveness.Keywords: chemical vapor deposition, graphene, morphology, plasma, surface free energy
Procedia PDF Downloads 24434490 [Keynote Talk]: Morphological Analysis of Continuous Graphene Oxide Fibers Incorporated with Carbon Nanotube and MnCl₂
Authors: Nuray Ucar, Pelin Altay, Ilkay Ozsev Yuksek
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Graphene oxide fibers have recently received increasing attention due to their excellent properties such as high specific surface area, high mechanical strength, good thermal properties and high electrical conductivity. They have shown notable potential in various applications including batteries, sensors, filtration and separation and wearable electronics. Carbon nanotubes (CNTs) have unique structural, mechanical, and electrical properties and can be used together with graphene oxide fibers for several application areas such as lithium ion batteries, wearable electronics, etc. Metals salts that can be converted into metal ions and metal oxide can be also used for several application areas such as battery, purification natural gas, filtration, absorption. This study investigates the effects of CNT and metal complex compounds (MnCl₂, metal salts) on the morphological structure of graphene oxide fibers. The graphene oxide dispersion was manufactured by modified Hummers method, and continuous graphene oxide fibers were produced with wet spinning. The CNT and MnCl₂ were incorporated into the coagulation baths during wet spinning process. Produced composite continuous fibers were analyzed with SEM, SEM-EDS and AFM microscopies and as spun fiber counts were measured.Keywords: continuous graphene oxide fiber, Hummers' method, CNT, MnCl₂
Procedia PDF Downloads 17634489 Stress Variation around a Circular Hole in Functionally Graded Plate under Bending
Authors: Parveen K. Saini, Mayank Kushwaha
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The influence of material property variation on stress concentration factor (SCF) due to the presence of a circular hole in a functionally graded material (FGM) plate is studied in this paper. A numerical method based on complex variable theory of elasticity is used to investigate the problem. To achieve the material property, variation plate is decomposed into a number of rings. In this research work, Young's modulus is assumed to be varying exponentially and it is found that stress concentration factor can be reduced by increasing Young’s modulus progressively away from the hole.Keywords: stress concentration, circular hole, FGM plate, bending
Procedia PDF Downloads 30634488 Thermo-Mechanical Characterization of MWCNTs-Modified Epoxy Resin
Authors: M. Dehghan, R. Al-Mahaidi, I. Sbarski
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An industrial epoxy adhesive used in Carbon Fiber Reinforced Polymer (CFRP)-strengthening systems was modified by dispersing multi-walled carbon nanotubes (MWCNTs). Nanocomposites were fabricated using solvent-assisted dispersion method and ultrasonic mixing. Thermogravimetric analysis (TGA), dynamic mechanical analysis (DMA) and tensile tests were conducted to study the effect of nanotubes dispersion on the thermal and mechanical properties of the epoxy composite. Experimental results showed a substantial enhancement in the decomposition temperature and tensile properties of epoxy composite, while, the glass transition temperature (Tg) was slightly reduced due to the solvent effect. The morphology of the epoxy nanocomposites was investigated by SEM. It was proved that using solvent improves the nanotubes dispersion. However, at contents higher than 2 wt. %, nanotubes started to re-bundle in the epoxy matrix which negatively affected the final properties of epoxy composite.Keywords: carbon fiber reinforced polymer, epoxy, multi-walled carbon nanotube, DMA, glass transition temperature
Procedia PDF Downloads 34334487 Functionalization of Carbon-Coated Iron Nanoparticles with Fluorescent Protein
Authors: A. G. Pershina, P. S. Postnikov, M. E. Trusova, D. O. Burlakova, A. E. Sazonov
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Invention of magnetic-fluorescent nanocomposites is a rapidly developing area of research. The magnetic-fluorescent nanocomposite attractiveness is connected with the ability of simultaneous management and control of such nanocomposites by two independent methods based on different physical principles. These nanocomposites are applied for the solution of various essential scientific and experimental biomedical problems. The aim of this research is development of principle approach to nanobiohybrid structures with magnetic and fluorescent properties design. The surface of carbon-coated iron nanoparticles (Fe@C) were covalently modified by 4-carboxy benzenediazonium tosylate. Recombinant fluorescent protein TagGFP2 (Eurogen) was obtained in E. coli (Rosetta DE3) by standard laboratory techniques. Immobilization of TagGFP2 on the nanoparticles surface was provided by the carbodiimide activation. The amount of COOH-groups on the nanoparticle surface was estimated by elemental analysis (Elementar Vario Macro) and TGA-analysis (SDT Q600, TA Instruments. Obtained nanocomposites were analyzed by FTIR spectroscopy (Nicolet Thermo 5700) and fluorescence microscopy (AxioImager M1, Carl Zeiss). Amount of the protein immobilized on the modified nanoparticle surface was determined by fluorimetry (Cary Eclipse) and spectrophotometry (Unico 2800) with the help of preliminary obtained calibration plots. In the FTIR spectra of modified nanoparticles the adsorption band of –COOH group around 1700 cm-1 and bands in the region of 450-850 cm-1 caused by bending vibrations of benzene ring were observed. The calculated quantity of active groups on the surface was equal to 0,1 mmol/g of material. The carbodiimide activation of COOH-groups on nanoparticles surface results to covalent immobilization of TagGFP2 fluorescent protein (0.2 nmol/mg). The success of immobilization was proved by FTIR spectroscopy. Protein characteristic adsorption bands in the region of 1500-1600 cm-1 (amide I) were presented in the FTIR spectrum of nanocomposite. The fluorescence microscopy analysis shows that Fe@C-TagGFP2 nanocomposite possesses fluorescence properties. This fact confirms that TagGFP2 protein retains its conformation due to immobilization on nanoparticles surface. Magnetic-fluorescent nanocomposite was obtained as a result of unique design solution implementation – the fluorescent protein molecules were fixed to the surface of superparamagnetic carbon-coated iron nanoparticles using original diazonium salts.Keywords: carbon-coated iron nanoparticles, diazonium salts, fluorescent protein, immobilization
Procedia PDF Downloads 34234486 Modal Dynamic Analysis of a Mechanism with Deformable Elements from an Oil Pump Unit Structure
Authors: N. Dumitru, S. Dumitru, C. Copilusi, N. Ploscaru
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On this research, experimental analyses have been performed in order to determine the oil pump mechanism dynamics and stability from an oil unit mechanical structure. The experimental tests were focused on the vibrations which occur inside of the rod element during functionality of the oil pump unit. The oil pump mechanism dynamic parameters were measured and also determined through numerical computations. Entire research is based on the oil pump unit mechanical system virtual prototyping. For a complete analysis of the mechanism, the frequency dynamic response was identified, mainly for the mechanism driven element, based on two methods: processing and virtual simulations with MSC Adams aid and experimental analysis. In fact, through this research, a complete methodology is presented where numerical simulations of a mechanism with deformed elements are developed on a dynamic mode and these can be correlated with experimental tests.Keywords: modal dynamic analysis, oil pump, vibrations, flexible elements, frequency response
Procedia PDF Downloads 31934485 Comparison of Different Techniques to Estimate Surface Soil Moisture
Authors: S. Farid F. Mojtahedi, Ali Khosravi, Behnaz Naeimian, S. Adel A. Hosseini
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Land subsidence is a gradual settling or sudden sinking of the land surface from changes that take place underground. There are different causes of land subsidence; most notably, ground-water overdraft and severe weather conditions. Subsidence of the land surface due to ground water overdraft is caused by an increase in the intergranular pressure in unconsolidated aquifers, which results in a loss of buoyancy of solid particles in the zone dewatered by the falling water table and accordingly compaction of the aquifer. On the other hand, exploitation of underground water may result in significant changes in degree of saturation of soil layers above the water table, increasing the effective stress in these layers, and considerable soil settlements. This study focuses on estimation of soil moisture at surface using different methods. Specifically, different methods for the estimation of moisture content at the soil surface, as an important term to solve Richard’s equation and estimate soil moisture profile are presented, and their results are discussed through comparison with field measurements obtained from Yanco1 station in south-eastern Australia. Surface soil moisture is not easy to measure at the spatial scale of a catchment. Due to the heterogeneity of soil type, land use, and topography, surface soil moisture may change considerably in space and time.Keywords: artificial neural network, empirical method, remote sensing, surface soil moisture, unsaturated soil
Procedia PDF Downloads 35934484 Design and Analysis of a Rear Bumper of an Automobile with a Hybrid Polymer Composite of Oil Palm Empty Fruit Bunch Fiber/Banana Fibres
Authors: S. O. Ologe, U. P. Anaidhuno, Duru C. A.
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This research investigated the design and analysis of a rear bumper of an automobile with a hybrid polymer composite of OPEBF/Banana fibre. OPEBF/Banana fibre hybrid polymers composite is of low cost, lightweight, as well as possesses satisfactory mechanical properties. In this research work, hybrid composites have been developed using the hand layup technique based on the percentage combination of OPEBF/Banana fibre at 10:90, 20:80, 30:70, 40:60, 50:50. 60:40, 70:30. 20:80, 90:10, 95:5. The mechanical properties in the context of compressive strength of 65MPa, a flexural strength of 20MPa, and impact strength of 3.25Joule were observed, and the simulation analysis on the induction of 500N load at the factor of safety of 3 was observed to have displayed a good strength suitable for automobile bumper with the advantages of weight reduction.Keywords: OPEBF, Banana, fibre, hybrid
Procedia PDF Downloads 11334483 Effect of Ultrasound on Carotenoids Extraction from Pepper and Process Optimization Using Response Surface Methodology (RSM)
Authors: Elham Mahdian, Reza Karazhian, Rahele Dehghan Tanha
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Pepper (Capsicum annum L.) which belong to the family Solananceae, are known for their versatility as a vegetable crop and are consumed both as fresh vegetables or dehydrated for spices. Pepper is considered an excellent source of bioactive nutrients. Ascorbic acid, carotenoids and phenolic compounds are its main antioxidant constituents. Ultrasound assisted extraction is an inexpensive, simple and efficient alternative to conventional extraction techniques. The mechanism of action for ultrasound-assisted extraction are attributed to cavitations, mechanical forces and thermal impact, which result in disruption of cells walls, reduce particle size, and enhance mass transfer across cell membranes. In this study, response surface methodology was used to optimize experimental conditions for ultrasonic assisted extraction of carotenoid compounds from Chili peppers. Variables were included extraction temperatures at 3 levels (30, 40 and 50 °C), extraction times at 3 levels (10, 25 and 40 minutes) and power at 3 levels (30, 60 and 90 %). It was observed that ultrasound waves applied at temperature of 49°C, time of 10 minutes and power 89 % resulted to the highest carotenoids contents (lycopene and β-carotene), while the lowest value was recorded in the control. Thus, results showed that ultrasound waves have strong impact on extraction of carotenoids from pepper.Keywords: carotenoids, optimization, pepper, response surface methodology
Procedia PDF Downloads 47534482 Experimental Investigations of a Modified Taylor-Couette Flow
Authors: Ahmed Esmael, Ali El Shrif
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In this study the instability problem of a modified Taylor-Couette flow between two vertical coaxial cylinders of radius R1, R2 is considered. The modification is based on the wavy shape of the inner cylinder surface, where inner cylinders with different surface amplitude and wavelength are used. The study aims to discover the effect of the inner surface geometry on the instability phenomenon that undergoes Taylor-Couette flow. The study reveals that the transition processes depends strongly on the amplitude and wavelength of the inner cylinder surface and resulting in flow instabilities that are strongly different from that encountered in the case of the classical Taylor-Couette flow.Keywords: hydrodynamic instability, Modified Taylor-Couette Flow, turbulence, Taylor vortices
Procedia PDF Downloads 43234481 Analysis of Correlation Between Manufacturing Parameters and Mechanical Strength Followed by Uncertainty Propagation of Geometric Defects in Lattice Structures
Authors: Chetra Mang, Ahmadali Tahmasebimoradi, Xavier Lorang
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Lattice structures are widely used in various applications, especially in aeronautic, aerospace, and medical applications because of their high performance properties. Thanks to advancement of the additive manufacturing technology, the lattice structures can be manufactured by different methods such as laser beam melting technology. However, the presence of geometric defects in the lattice structures is inevitable due to the manufacturing process. The geometric defects may have high impact on the mechanical strength of the structures. This work analyzes the correlation between the manufacturing parameters and the mechanical strengths of the lattice structures. To do that, two types of the lattice structures; body-centered cubic with z-struts (BCCZ) structures made of Inconel718, and body-centered cubic (BCC) structures made of Scalmalloy, are manufactured by laser melting beam machine using Taguchi design of experiment. Each structure is placed on the substrate with a specific position and orientation regarding the roller direction of deposed metal powder. The position and orientation are considered as the manufacturing parameters. The geometric defects of each beam in the lattice are characterized and used to build the geometric model in order to perform simulations. Then, the mechanical strengths are defined by the homogeneous response as Young's modulus and yield strength. The distribution of mechanical strengths is observed as a function of manufacturing parameters. The mechanical response of the BCCZ structure is stretch-dominated, i.e., the mechanical strengths are directly dependent on the strengths of the vertical beams. As the geometric defects of vertical beams are slightly changed based on their position/orientation on the manufacturing substrate, the mechanical strengths are less dispersed. The manufacturing parameters are less influenced on the mechanical strengths of the structure BCCZ. The mechanical response of the BCC structure is bending-dominated. The geometric defects of inclined beam are highly dispersed within a structure and also based on their position/orientation on the manufacturing substrate. For different position/orientation on the substrate, the mechanical responses are highly dispersed as well. This shows that the mechanical strengths are directly impacted by manufacturing parameters. In addition, this work is carried out to study the uncertainty propagation of the geometric defects on the mechanical strength of the BCC lattice structure made of Scalmalloy. To do that, we observe the distribution of mechanical strengths of the lattice according to the distribution of the geometric defects. A probability density law is determined based on a statistical hypothesis corresponding to the geometric defects of the inclined beams. The samples of inclined beams are then randomly drawn from the density law to build the lattice structure samples. The lattice samples are then used for simulation to characterize the mechanical strengths. The results reveal that the distribution of mechanical strengths of the structures with the same manufacturing parameters is less dispersed than one of the structures with different manufacturing parameters. Nevertheless, the dispersion of mechanical strengths due to the structures with the same manufacturing parameters are unneglectable.Keywords: geometric defects, lattice structure, mechanical strength, uncertainty propagation
Procedia PDF Downloads 12334480 Optimization of Surface Roughness in Turning Process Utilizing Live Tooling via Taguchi Methodology
Authors: Weinian Wang, Joseph C. Chen
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The objective of this research is to optimize the process of cutting cylindrical workpieces utilizing live tooling on a HAAS ST-20 lathe. Surface roughness (Ra) has been investigated as the indicator of quality characteristics for machining process. Aluminum alloy was used to conduct experiments due to its wide range usages in engineering structures and components where light weight or corrosion resistance is required. In this study, Taguchi methodology is utilized to determine the effects that each of the parameters has on surface roughness (Ra). A total of 18 experiments of each process were designed according to Taguchi’s L9 orthogonal array (OA) with four control factors at three levels of each and signal-to-noise ratios (S/N) were computed with Smaller the better equation for minimizing the system. The optimal parameters identified for the surface roughness of the turning operation utilizing live tooling were a feed rate of 3 inches/min(A3); a spindle speed of 1300 rpm(B3); a 2-flute titanium nitrite coated 3/8” endmill (C1); and a depth of cut of 0.025 inches (D2). The mean surface roughness of the confirmation runs in turning operation was 8.22 micro inches. The final results demonstrate that Taguchi methodology is a sufficient way of process improvement in turning process on surface roughness.Keywords: CNC milling operation, CNC turning operation, surface roughness, Taguchi parameter design
Procedia PDF Downloads 17634479 The Elastic Field of a Nano-Pore, and the Effective Modulus of Composites with Nano-Pores
Authors: Xin Chen, Moxiao Li, Xuechao Sun, Fei Ti, Shaobao Liu, Feng Xu, Tian Jian Lu
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The composite materials with pores have the characteristics of light weight, sound insulation, and heat insulation, and have broad prospects in many fields, including aerospace. In general, the stiffness of such composite is less than the stiffness of the matrix material, limiting their applications. In this paper, we establish a theoretical model to analyze the deformation mechanism of a nano-pore. The interface between the pores and matrix material is described by the Gurtin-Murdoch model. By considering scale effect related with current deformation, we estimate the effective mechanical properties (e.g., effective shear modulus and bulk modulus) of a composite with nano-pores. Due to the scale effect, the elastic field in the composite was changed and local hardening was observed around the nano-pore, and the effective shear modulus and effective bulk modulus were found to be a function of the surface energy. The effective shear modulus increase with the surface energy and decrease with the size of the nano-pores, and the effective bulk modulus decrease with the surface energy and increase with the size of the nano-pores. These results have potential applications in the nanocomposite mechanics and aerospace field.Keywords: composite mechanics, nano-inhomogeneity, nano-pores, scale effect
Procedia PDF Downloads 13434478 Fabricating an Infrared-Radar Compatible Stealth Surface with Frequency Selective Surface and Structured Radar-Absorbing Material
Authors: Qingtao Yu, Guojia Ma
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Approaches to microwave absorption and low infrared emissivity are often conflicting, as the low-emissivity layer, usually consisting of metals, increases the reflection of microwaves, especially in high frequency. In this study, an infrared-radar compatible stealth surface was fabricated by first depositing a layer of low-emissivity metal film on the surface of a layer of radar-absorbing material. Then, ultrafast laser was used to generate patterns on the metal film, forming a frequency selective surface. With proper pattern design, while the majority of the frequency selective surface is covered by the metal film, it has relatively little influence on the reflection of microwaves between 2 to 18 GHz. At last, structures on the radar-absorbing layer were fabricated by ultra-fast laser to further improve the absorbing bandwidth of the microwave. This study demonstrates that the compatibility between microwave absorption and low infrared emissivity can be achieved by properly designing patterns and structures on the metal film and the radar-absorbing layer accordingly.Keywords: frequency selective surface, infrared-radar compatible, low infrared emissivity, radar-absorbing material, patterns, structures
Procedia PDF Downloads 12934477 Sequential Data Assimilation with High-Frequency (HF) Radar Surface Current
Authors: Lei Ren, Michael Hartnett, Stephen Nash
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The abundant measured surface current from HF radar system in coastal area is assimilated into model to improve the modeling forecasting ability. A simple sequential data assimilation scheme, Direct Insertion (DI), is applied to update model forecast states. The influence of Direct Insertion data assimilation over time is analyzed at one reference point. Vector maps of surface current from models are compared with HF radar measurements. Root-Mean-Squared-Error (RMSE) between modeling results and HF radar measurements is calculated during the last four days with no data assimilation.Keywords: data assimilation, CODAR, HF radar, surface current, direct insertion
Procedia PDF Downloads 57434476 Wave Pressure Metering with the Specific Instrument and Measure Description Determined by the Shape and Surface of the Instrument including the Number of Sensors and Angle between Them
Authors: Branimir Jurun, Elza Jurun
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Focus of this paper is description and functioning manner of the instrument for wave pressure metering. Moreover, an essential component of this paper is the proposal of a metering unit for the direct wave pressure measurement determined by the shape and surface of the instrument including the number of sensors and angle between them. Namely, far applied instruments by means of height, length, direction, wave time period and other components determine wave pressure on a particular area. This instrument, allows the direct measurement i.e. measurement without additional calculation, of the wave pressure expressed in a standardized unit of measure. That way the instrument has a standardized form, surface, number of sensors and the angle between them. In addition, it is made with the status that follows the wave and always is on the water surface. Database quality which is listed by the instrument is made possible by using the Arduino chip. This chip is programmed for receiving by two data from each of the sensors each second. From these data by a pre-defined manner a unique representative value is estimated. By this procedure all relevant wave pressure measurement results are directly and immediately registered. Final goal of establishing such a rich database is a comprehensive statistical analysis that ranges from multi-criteria analysis across different modeling and parameters testing to hypothesis accepting relating to the widest variety of man-made activities such as filling of beaches, security cages for aquaculture, bridges construction.Keywords: instrument, metering, water, waves
Procedia PDF Downloads 26434475 Current Methods for Drug Property Prediction in the Real World
Authors: Jacob Green, Cecilia Cabrera, Maximilian Jakobs, Andrea Dimitracopoulos, Mark van der Wilk, Ryan Greenhalgh
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Predicting drug properties is key in drug discovery to enable de-risking of assets before expensive clinical trials and to find highly active compounds faster. Interest from the machine learning community has led to the release of a variety of benchmark datasets and proposed methods. However, it remains unclear for practitioners which method or approach is most suitable, as different papers benchmark on different datasets and methods, leading to varying conclusions that are not easily compared. Our large-scale empirical study links together numerous earlier works on different datasets and methods, thus offering a comprehensive overview of the existing property classes, datasets, and their interactions with different methods. We emphasise the importance of uncertainty quantification and the time and, therefore, cost of applying these methods in the drug development decision-making cycle. To the best of the author's knowledge, it has been observed that the optimal approach varies depending on the dataset and that engineered features with classical machine learning methods often outperform deep learning. Specifically, QSAR datasets are typically best analysed with classical methods such as Gaussian Processes, while ADMET datasets are sometimes better described by Trees or deep learning methods such as Graph Neural Networks or language models. Our work highlights that practitioners do not yet have a straightforward, black-box procedure to rely on and sets a precedent for creating practitioner-relevant benchmarks. Deep learning approaches must be proven on these benchmarks to become the practical method of choice in drug property prediction.Keywords: activity (QSAR), ADMET, classical methods, drug property prediction, empirical study, machine learning
Procedia PDF Downloads 8134474 Analysis of One-Way and Two-Way FSI Approaches to Characterise the Flow Regime and the Mechanical Behaviour during Closing Manoeuvring Operation of a Butterfly Valve
Authors: M. Ezkurra, J. A. Esnaola, M. Martinez-Agirre, U. Etxeberria, U. Lertxundi, L. Colomo, M. Begiristain, I. Zurutuza
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Butterfly valves are widely used industrial piping components as on-off and flow controlling devices. The main challenge in the design process of this type of valves is the correct dimensioning to ensure proper mechanical performance as well as to minimise flow losses that affect the efficiency of the system. Butterfly valves are typically dimensioned in a closed position based on mechanical approaches considering uniform hydrostatic pressure, whereas the flow losses are analysed by means of CFD simulations. The main limitation of these approaches is that they do not consider either the influence of the dynamics of the manoeuvring stage or coupled phenomena. Recent works have included the influence of the flow on the mechanical behaviour for different opening angles by means of one-way FSI approach. However, these works consider steady-state flow for the selected angles, not capturing the effect of the transient flow evolution during the manoeuvring stage. Two-way FSI modelling approach could allow overcoming such limitations providing more accurate results. Nevertheless, the use of this technique is limited due to the increase in the computational cost. In the present work, the applicability of FSI one-way and two-way approaches is evaluated for the analysis of butterfly valves, showing that not considering fluid-structure coupling involves not capturing the most critical situation for the valve disc.Keywords: butterfly valves, fluid-structure interaction, one-way approach, two-way approach
Procedia PDF Downloads 16234473 Photocatalytic Eco-Active Ceramic Slabs to Abate Air Pollution under LED Light
Authors: Claudia L. Bianchi, Giuseppina Cerrato, Federico Galli, Federica Minozzi, Valentino Capucci
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At the beginning of the industrial productions, porcelain gres tiles were considered as just a technical material, aesthetically not very beautiful. Today thanks to new industrial production methods, both properties, and beauty of these materials completely fit the market requests. In particular, the possibility to prepare slabs of large sizes is the new frontier of building materials. Beside these noteworthy architectural features, new surface properties have been introduced in the last generation of these materials. In particular, deposition of TiO₂ transforms the traditional ceramic into a photocatalytic eco-active material able to reduce polluting molecules present in air and water, to eliminate bacteria and to reduce the surface dirt thanks to the self-cleaning property. The problem of photocatalytic materials resides in the fact that it is necessary a UV light source to activate the oxidation processes on the surface of the material, processes that are turned off inexorably when the material is illuminated by LED lights and, even more so, when we are in darkness. First, it was necessary a thorough study change the existing plants to deposit the photocatalyst very evenly and this has been done thanks to the advent of digital printing and the development of an ink custom-made that stabilizes the powdered TiO₂ in its formulation. In addition, the commercial TiO₂, which is used for the traditional photocatalytic coating, has been doped with metals in order to activate it even in the visible region and thus in the presence of sunlight or LED. Thanks to this active coating, ceramic slabs are able to purify air eliminating odors and VOCs, and also can be cleaned with very soft detergents due to the self-cleaning properties given by the TiO₂ present at the ceramic surface. Moreover, the presence of dopant metals (patent WO2016157155) also allows the material to work as well as antibacterial in the dark, by eliminating one of the negative features of photocatalytic building materials that have so far limited its use on a large scale. Considering that we are constantly in contact with bacteria, some of which are dangerous for health. Active tiles are 99,99% efficient on all bacteria, from the most common such as Escherichia coli to the most dangerous such as Staphilococcus aureus Methicillin-resistant (MRSA). DIGITALIFE project LIFE13 ENV/IT/000140 – award for best project of October 2017.Keywords: Ag-doped microsized TiO₂, eco-active ceramic, photocatalysis, digital coating
Procedia PDF Downloads 22934472 An Analysis of Urban Institutional Arrangements and Their Implications on Wetlands Allocation for Development Purposes: A Case of Harare, Zimbabwe
Authors: Effort M. Magoso
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This study analyses urban institutional arrangements and their implications on allocation of wetlands for development purposes in Zimbabwe using a case study of Harare. It was driven by the need to get to the root of the current urban assault on wetlands. The study sought to analyse institutions that influence wetlands governance in Harare, to ascertain level of wetlands loss and to determine the adequacy of the legal and regulatory framework for governing wetlands. Theories of common property resources and of institutions are the paradigms that undergird this study. A qualitative research methodology was employed, while in-depth interviews, observations and document review were used to gather data. The study found out that unchecked infrastructure developments are taking place in the city’s wetlands. Urban institutional arrangements in Harare were exposed as having negative implications on the protection of wetlands. It is the key argument of this study that good institutional arrangements are priceless in the protection of commons such as wetlands. This study also recommends a new framework that has environmentalists and technocrats as the final decision maker in land allocation as the solution to protect wetlands from undue anthropogenic activities.Keywords: institutional arrangements, common property resources, wetlands, institutions
Procedia PDF Downloads 38834471 CFD Study of Free Surface Flows Resulting from a Dam-Breaking
Authors: Sonia Ben Hamza, Sabra Habli, Nejla Mahjoub Saïd, Hervé Bournot, Georges Le Palec
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Free surface flows caused by dam breaks in channels or rivers is an attention-getting subject to the engineering practice, however, the studies are few to be reported. In this paper, a numerical investigation of unsteady free surface flows resulting from a dam-breaking in a rectangular channel is studied. Numerical computations were carried out using ANSYS Fluent which is based on the finite volume approach. The air/water interface was modeled with the volume of fluid method (VOF). Verification for a typical dam-break problem is analyzed by comparing the present results with others and very good agreement is obtained. The present approach is then used to predict the characteristics of free surface flow due to the dam breaking in channel. The characteristics of complex unsteady free surface flow in these examples are clearly explained. The numerical results show that the flow became more disturbed after impacting the vertical wall, then a recirculation zone, as well as turbulence phenomena, were created. At this instant, a cavity of air was included on the flow. The results agree well with the experimental data found in the literature.Keywords: CFD, dam-break, free surface, turbulent flows, VOF
Procedia PDF Downloads 30834470 Grammar as a Logic of Labeling: A Computer Model
Authors: Jacques Lamarche, Juhani Dickinson
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This paper introduces a computational model of a Grammar as Logic of Labeling (GLL), where the lexical primitives of morphosyntax are phonological matrixes, the form of words, understood as labels that apply to realities (or targets) assumed to be outside of grammar altogether. The hypothesis is that even though a lexical label relates to its target arbitrarily, this label in a complex (constituent) label is part of a labeling pattern which, depending on its value (i.e., N, V, Adj, etc.), imposes language-specific restrictions on what it targets outside of grammar (in the world/semantics or in cognitive knowledge). Lexical forms categorized as nouns, verbs, adjectives, etc., are effectively targets of labeling patterns in use. The paper illustrates GLL through a computer model of basic patterns in English NPs. A constituent label is a binary object that encodes: i) alignment of input forms so that labels occurring at different points in time are understood as applying at once; ii) endocentric structuring - every grammatical constituent has a head label that determines the target of the constituent, and a limiter label (the non-head) that restricts this target. The N or A values are restricted to limiter label, the two differing in terms of alignment with a head. Consider the head initial DP ‘the dog’: the label ‘dog’ gets an N value because it is a limiter that is evenly aligned with the head ‘the’, restricting application of the DP. Adapting a traditional analysis of ‘the’ to GLL – apply label to something familiar – the DP targets and identifies one reality familiar to participants by applying to it the label ‘dog’ (singular). Consider next the DP ‘the large dog’: ‘large dog’ is nominal by even alignment with ‘the’, as before, and since ‘dog’ is the head of (head final) ‘large dog’, it is also nominal. The label ‘large’, however, is adjectival by narrow alignment with the head ‘dog’: it doesn’t target the head but targets a property of what dog applies to (a property or value of attribute). In other words, the internal composition of constituents determines that a form targets a property or a reality: ‘large’ and ‘dog’ happen to be valid targets to realize this constituent. In the presentation, the computer model of the analysis derives the 8 possible sequences of grammatical values with three labels after the determiner (the x y z): 1- D [ N [ N N ]]; 2- D [ A [ N N ] ]; 3- D [ N [ A N ] ]; 4- D [ A [ A N ] ]; 5- D [ [ N N ] N ]; 5- D [ [ A N ] N ]; 6- D [ [ N A ] N ] 7- [ [ N A ] N ] 8- D [ [ Adv A ] N ]. This approach that suggests that a computer model of these grammatical patterns could be used to construct ontologies/knowledge using speakers’ judgments about the validity of lexical meaning in grammatical patterns.Keywords: syntactic theory, computational linguistics, logic and grammar, semantics, knowledge and grammar
Procedia PDF Downloads 3834469 Internal Corrosion Rupture of a 6-in Gas Line Pipe
Authors: Fadwa Jewilli
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A sudden leak of a 6-inch gas line pipe after being in service for one year was observed. The pipe had been designed to transport dry gas. The failure had taken place in 6 o’clock position at the stage discharge of the flow process. Laboratory investigations were conducted to find out the cause of the pipe rupture. Visual and metallographic observations confirmed that the pipe split was due to a crack initiated in circumferential and then turned into longitudinal direction. Sever wall thickness reduction was noticed on the internal pipe surface. Scanning electron microscopy observations at the fracture surface revealed features of ductile fracture mode. Corrosion product analysis showed the traces of iron carbonate and iron sulphate. The laboratory analysis resulted in the conclusion that the pipe failed due to the effect of wet fluid (condensate) caused severe wall thickness dissolution resulted in pipe could not stand the continuation at in-service working condition.Keywords: gas line pipe, corrosion prediction ductile fracture, ductile fracture, failure analysis
Procedia PDF Downloads 8434468 Secure Multiparty Computations for Privacy Preserving Classifiers
Authors: M. Sumana, K. S. Hareesha
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Secure computations are essential while performing privacy preserving data mining. Distributed privacy preserving data mining involve two to more sites that cannot pool in their data to a third party due to the violation of law regarding the individual. Hence in order to model the private data without compromising privacy and information loss, secure multiparty computations are used. Secure computations of product, mean, variance, dot product, sigmoid function using the additive and multiplicative homomorphic property is discussed. The computations are performed on vertically partitioned data with a single site holding the class value.Keywords: homomorphic property, secure product, secure mean and variance, secure dot product, vertically partitioned data
Procedia PDF Downloads 41234467 Study of The Ballistic Impact at Low Speed on Angle-Ply Fibrous Structures
Authors: Daniel Barros, Carlos Mota, Raul Fangueiro, Pedro Rosa, Gonçalo Domingos, Alfredo Passanha, Norberto Almeida
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The main aim of the work was to compare the ballistic performance of developed composites using different types of fiber woven fabrics [0,90] and different layers orientation (Angle-ply). The ballistic laminate composites were developed using E-glass, S-glass and aramid fabrics impregnated with thermosetting epoxy resin and using different layers orientation (0,0)º and (0,15)º. The idea of the study is to compare the ballistic performance of each laminate produced by studying the velocity loss of the fragment fired into the laminate surface. There are present some mechanical properties for laminates produced using the different types of fiber, where tensile, flexural and impact Charpy properties were studied. Overall, the angle-ply laminates produced using orientations of (0,15)º, despite the slight loss of mechanical properties compared to the (0,0)º orientation, presents better ballistic resistance and dissipation of energy, for lower ballistic impact velocities (under 290 m/s-1). After treatment of ballistic impact results, the S-Glass with (0,15)º laminate presents better ballistic perforce compared to the other combinations studied.Keywords: ballistic impact, angle-ply, ballistic composite, s-glass fiber, aramid fiber, fabric fiber, energy dissipation, mechanical performance
Procedia PDF Downloads 20834466 Experimental Research of Corrosion Resistance Desalination Plant Pipe According to Weld Overlay Layers
Authors: Ryu Wonjin, Choi Hyeok, Park Joonhong
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Overlay welding for improving surface properties is a method of the surface treatments which improve surface properties of material by welding materials of alloy having corrosion resistance on the basic material surface. Overlay welding affects contents of chemical components and weld hardness from different parts by dilution of the lamination layer thickness, and it determines surface properties. Therefore, overlay welding has to take into account thickness of the lamination layers with the process. As a result in this study examined contents of Fe, weldability of the base metal and monel materials, hardness and surface flatness from different parts according to each the lamination layer parameters by overlay welding monel materials with corrosion resources to the base material of carbon steel. Through this, evaluated effect by the lamination layer parameters of welding and presented decision methods of the lamination layer parameters of the overlay welding by the purpose of use.Keywords: clad pipe, lamination layer parameters, monel, overlay welding
Procedia PDF Downloads 27334465 Stress Analysis of a Pressurizer in a Pressurized Water Reactor Using Finite Element Method
Authors: Tanvir Hasan, Minhaz Uddin, Anwar Sadat Anik
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A pressurizer is a safety-related reactor component that maintains the reactor operating pressure to guarantee safety. Its structure is usually made of high thermal and pressure resistive material. The mechanical structure of these components should be maintained in all working settings, including transient to severe accidents conditions. The goal of this study is to examine the structural integrity and stress of the pressurizer in order to ensure its design integrity towards transient situations. For this, the finite element method (FEM) was used to analyze the mechanical stress on pressurizer components in this research. ANSYS MECHANICAL tool was used to analyze a 3D model of the pressurizer. The material for the body and safety relief nozzle is selected as low alloy steel i.e., SA-508 Gr.3 Cl.2. The model was put into ANSYS WORKBENCH and run under the boundary conditions of (internal Pressure, -17.2 MPa, inside radius, -1348mm, the thickness of the shell, -127mm, and the ratio of the outside radius to an inside radius, - 1.059). The theoretical calculation was done using the formulas and then the results were compared with the simulated results. When stimulated at design conditions, the findings revealed that the pressurizer stress analysis completely fulfilled the ASME standards.Keywords: pressurizer, stress analysis, finite element method, nuclear reactor
Procedia PDF Downloads 15834464 An Investigation of Surface Water Quality in an Industrial Area Using Integrated Approaches
Authors: Priti Saha, Biswajit Paul
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Rapid urbanization and industrialization has increased the pollution load in surface water bodies. However, these water bodies are major source of water for drinking, irrigation, industrial activities and fishery. Therefore, water quality assessment is paramount importance to evaluate its suitability for all these purposes. This study focus to evaluate the surface water quality of an industrial city in eastern India through integrating interdisciplinary techniques. The multi-purpose Water Quality Index (WQI) assess the suitability for drinking, irrigation as well as fishery of forty-eight sampling locations, where 8.33% have excellent water quality (WQI:0-25) for fishery and 10.42%, 20.83% and 45.83% have good quality (WQI:25-50), which represents its suitability for drinking irrigation and fishery respectively. However, the industrial water quality was assessed through Ryznar Stability Index (LSI), which affirmed that only 6.25% of sampling locations have neither corrosive nor scale forming properties (RSI: 6.2-6.8). Integration of these statistical analysis with geographical information system (GIS) helps in spatial assessment. It identifies of the regions where the water quality is suitable for its use in drinking, irrigation, fishery as well as industrial activities. This research demonstrates the effectiveness of statistical and GIS techniques for water quality assessment.Keywords: surface water, water quality assessment, water quality index, spatial assessment
Procedia PDF Downloads 180