Search results for: spatial gradient
992 Revealing Thermal Degradation Characteristics of Distinctive Oligo-and Polisaccharides of Prebiotic Relevance
Authors: Attila Kiss, Erzsébet Némedi, Zoltán Naár
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As natural prebiotic (non-digestible) carbohydrates stimulate the growth of colon microflora and contribute to maintain the health of the host, analytical studies aiming at revealing the chemical behavior of these beneficial food components came to the forefront of interest. Food processing (especially baking) may lead to a significant conversion of the parent compounds, hence it is of utmost importance to characterize the transformation patterns and the plausible decomposition products formed by thermal degradation. The relevance of this work is confirmed by the wide-spread use of these carbohydrates (fructo-oligosaccharides, cyclodextrins, raffinose and resistant starch) in the food industry. More and more functional foodstuffs are being developed based on prebiotics as bioactive components. 12 different types of oligosaccharides have been investigated in order to reveal their thermal degradation characteristics. Different carbohydrate derivatives (D-fructose and D-glucose oligomers and polymers) have been exposed to elevated temperatures (150 °C 170 °C, 190 °C, 210 °C, and 220 °C) for 10 min. An advanced HPLC method was developed and used to identify the decomposition products of carbohydrates formed as a consequence of thermal treatment. Gradient elution was applied with binary solvent elution (acetonitrile, water) through amine based carbohydrate column. Evaporative light scattering (ELS) proved to be suitable for the reliable detection of the UV/VIS inactive carbohydrate degradation products. These experimental conditions and applied advanced techniques made it possible to survey all the formed intermediers. Change in oligomer distribution was established in cases of all studied prebiotics throughout the thermal treatments. The obtained results indicate increased extent of chain degradation of the carbohydrate moiety at elevated temperatures. Prevalence of oligomers with shorter chain length and even the formation of monomer sugars (D-glucose and D-fructose) might be observed at higher temperatures. Unique oligomer distributions, which have not been described previously are revealed in the case of each studied, specific carbohydrate, which might result in various prebiotic activities. Resistant starches exhibited high stability when being thermal treated. The degradation process has been modeled by a plausible reaction mechanism, in which proton catalyzed degradation and chain cleavage take place.Keywords: prebiotics, thermal degradation, fructo-oligosaccharide, HPLC, ELS detection
Procedia PDF Downloads 303991 Comparison of Leeway Space Predictions Using Moyers and Tanaka-Johnston Upper Jaw and Lower Jaw on Batak Tribe Between Male and Female in Elementary School Students in Medan City, Sumatera Utara, Indonesia: A Cross-sectional Study
Authors: Hilda Fitria Lubis, Erna Sulistyawati
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Objective: The study aims to compare Leeway space averages between Moyers and Tanaka-Johnston's analysis of elementary school students from the Batak tribe in Medan City. Material and Methods: The study involved 106 students from the Batak tribe elementary school in Medan, comprising 53 male and 53 female students. The samples obtained were then printed on both jaws to obtain a working model, and the mesiodistal width of the four permanent biting teeth of the lower jaw and the amount of space available on the canine-premolar region, as well as the predicted mesiodistal number of the canine-premolar on the Moyers probability table with a 75% degree of confidence and the Tanaka-Johnston formula. Results: Using Moyers analysis, students at Batak Elementary School in Medan City have an average Leeway space value of 2 mm on the upper jaw and 2.78 mm on the lower jaw. The average Leeway spatial value using Tanaka-Johnston analysis in the Batak tribe in elementary school in Medan City is 1.33 mm on the top jaw and 2.39 mm on the bottom jaw. Conclusion: According to Moyers and Tanaka-Johnsnton's analysis of both the upper and lower jaws in elementary school students of the Batak tribe in Medan City, there is a significant difference between Leeway's average space.Keywords: leeways space, batak tribe, genders, diagnosis
Procedia PDF Downloads 30990 Flood Disaster Prevention and Mitigation in Nigeria Using Geographic Information System
Authors: Dinebari Akpee, Friday Aabe Gaage, Florence Fred Nwaigwu
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Natural disasters like flood affect many parts of the world including developing countries like Nigeria. As a result, many human lives are lost, properties damaged and so much money is lost in infrastructure damages. These hazards and losses can be mitigated and reduced by providing reliable spatial information to the generality of the people through about flood risks through flood inundation maps. Flood inundation maps are very crucial for emergency action plans, urban planning, ecological studies and insurance rates. Nigeria experience her worst flood in her entire history this year. Many cities were submerged and completely under water due to torrential rainfall. Poor city planning, lack of effective development control among others contributes to the problem too. Geographic information system (GIS) can be used to visualize the extent of flooding, analyze flood maps to produce flood damaged estimation maps and flood risk maps. In this research, the under listed steps were taken in preparation of flood risk maps for the study area: (1) Digitization of topographic data and preparation of digital elevation model using ArcGIS (2) Flood simulation using hydraulic model and integration and (3) Integration of the first two steps to produce flood risk maps. The results shows that GIS can play crucial role in Flood disaster control and mitigation.Keywords: flood disaster, risk maps, geographic information system, hazards
Procedia PDF Downloads 226989 Tumor Cell Detection, Isolation and Monitoring Using Bi-Layer Magnetic Microfluidic Chip
Authors: Amir Seyfoori, Ehsan Samiei, Mohsen Akbari
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The use of microtechnology for detection and high yield isolation of circulating tumor cells (CTCs) has shown enormous promise as an indication of clinical metastasis prognosis and cancer treatment monitoring. The Immunomagnetic assay has been also coupled to microtechnology to improve the selectivity and efficiency of the current methods of cancer biomarker isolation. In this way, generation and configuration of the local high gradient magnetic field play essential roles in such assay. Additionally, considering the intrinsic heterogeneity of cancer cells, real-time analysis of isolated cells is necessary to characterize their responses to therapy. Totally, on-chip isolation and monitoring of the specific tumor cells is considered as a pressing need in the way of modified cancer therapy. To address these challenges, we have developed a bi-layer magnetic-based microfluidic chip for enhanced CTC detection and capturing. Micromagnet arrays at the bottom layer of the chip were fabricated using a new method of magnetic nanoparticle paste deposition so that they were arranged at the center of the chain microchannel with the lowest fluid velocity zone. Breast cancer cells labelled with EPCAM-conjugated smart microgels were immobilized on the tip of the micromagnets with greater localized magnetic field and stronger cell-micromagnet interaction. Considering different magnetic nano-powder usage (MnFe2O4 & gamma-Fe2O3) and micromagnet shapes (ellipsoidal & arrow), the capture efficiency of the systems was adjusted while the higher CTC capture efficiency was acquired for MnFe2O4 arrow micromagnet as around 95.5%. As a proof of concept of on-chip tumor cell monitoring, magnetic smart microgels made of thermo-responsive poly N-isopropylacrylamide-co-acrylic acid (PNIPAM-AA) composition were used for both purposes of targeted cell capturing as well as cell monitoring using antibody conjugation and fluorescent dye loading at the same time. In this regard, magnetic microgels were successfully used as cell tracker after isolation process so that by raising the temperature up to 37⁰ C, they released the contained dye and stained the targeted cell just after capturing. This microfluidic device was able to provide a platform for detection, isolation and efficient real-time analysis of specific CTCs in the liquid biopsy of breast cancer patients.Keywords: circulating tumor cells, microfluidic, immunomagnetic, cell isolation
Procedia PDF Downloads 142988 Mapping the Poor in Ghana: A Geospatial Multidimensional Poverty Index Approach
Authors: Bernard Kumi-Boateng, Joseph Edem Vigbedor, Irene Asante Sakyi
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Globally, especially in developing nations, governments persistently prioritize poverty alleviation and eradication as key objectives. Numerous international organizations also acknowledge the urgent need to reduce poverty levels over the next decade, making poverty reduction a critical global issue. During the past three decades, the government of Ghana has developed and subsequently implemented several development policy frameworks as part of its poverty reduction programmes. In order to reduce and alleviate poverty, one of the parameters that play a key role is statistics on poverty. However, in many developing countries such as Ghana such statistics do not exist thus it makes poverty alleviation intervention a bit scattered and untargeted. Due to this, there exist a major problem presently; that is reaching the poor to address their specific needs. In response to this challenge, there is therefore the need to produce poverty map to assist policy makers. This research therefore sought to use GIS to map out poverty endemic areas by displaying the spatial dimensions of poverty and identify the poverty pockets across the country adopting a Multidimensional (Non-Monetary) Poverty Index approach. Ten indicators which were categories under three dimensions were used. Results of the study showed that across Ghana, a considerable percentage of household are deprived in several non-monetary poverty indicators. Analysis of these indicators revealed wide disparities by region. Generally, wide disparities exist between the proportion of households deprived in the three northern regions and their counterparts in southern Ghana.Keywords: GIS, multidimensional poverty index, indicator, dimension, poverty
Procedia PDF Downloads 15987 Hydrological Evaluation of Satellite Precipitation Products Using IHACRES Rainfall-Runoff Model over a Basin in Iran
Authors: Mahmoud Zakeri Niri, Saber Moazami, Arman Abdollahipour, Hossein Ghalkhani
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The objective of this research is to hydrological evaluation of four widely-used satellite precipitation products named PERSIANN, TMPA-3B42V7, TMPA-3B42RT, and CMORPH over Zarinehrood basin in Iran. For this aim, at first, daily streamflow of Sarough-cahy river of Zarinehrood basin was simulated using IHACRES rainfall-runoff model with daily rain gauge and temperature as input data from 1988 to 2008. Then, the model was calibrated in two different periods through comparison the simulated discharge with the observed one at hydrometric stations. Moreover, in order to evaluate the performance of satellite precipitation products in streamflow simulation, the calibrated model was validated using daily satellite rainfall estimates from the period of 2003 to 2008. The obtained results indicated that TMPA-3B42V7 with CC of 0.69, RMSE of 5.93 mm/day, MAE of 4.76 mm/day, and RBias of -5.39% performs better simulation of streamflow than those PERSIANN and CMORPH over the study area. It is noteworthy that in Iran, the availability of ground measuring station data is very limited because of the sparse density of hydro-meteorological networks. On the other hand, large spatial and temporal variability of precipitations and lack of a reliable and extensive observing system are the most important challenges to rainfall analysis, flood prediction, and other hydrological applications in this country.Keywords: hydrological evaluation, IHACRES, satellite precipitation product, streamflow simulation
Procedia PDF Downloads 240986 Investigation of Mechanical and Tribological Property of Graphene Reinforced SS-316L Matrix Composite Prepared by Selective Laser Melting
Authors: Ajay Mandal, Jitendar Kumar Tiwari, N. Sathish, A. K. Srivastava
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A fundamental investigation is performed on the development of graphene (Gr) reinforced stainless steel 316L (SS 316L) metal matrix composite via selective laser melting (SLM) in order to improve specific strength and wear resistance property of SS 316L. Firstly, SS 316L powder and graphene were mixed in a fixed ratio using low energy planetary ball milling. The milled powder is then subjected to the SLM process to fabricate composite samples at a laser power of 320 W and exposure time of 100 µs. The prepared composite was mechanically tested (hardness and tensile test) at ambient temperature, and obtained results indicate that the properties of the composite increased significantly with the addition of 0.2 wt. % Gr. Increment of about 25% (from 194 to 242 HV) and 70% (from 502 to 850 MPa) is obtained in hardness and yield strength of composite, respectively. Raman mapping and XRD were performed to see the distribution of Gr in the matrix and its effect on the formation of carbide, respectively. Results of Raman mapping show the uniform distribution of graphene inside the matrix. Electron back scatter diffraction (EBSD) map of the prepared composite was analyzed under FESEM in order to understand the microstructure and grain orientation. Due to thermal gradient, elongated grains were observed along the building direction, and grains get finer with the addition of Gr. Most of the mechanical components are subjected to several types of wear conditions. Therefore, it is very necessary to improve the wear property of the component, and hence apart from strength and hardness, a tribological property of composite was also measured under dry sliding condition. Solid lubrication property of Gr plays an important role during the sliding process due to which the wear rate of composite reduces up to 58%. Also, the surface roughness of worn surface reduces up to 70% as measured by 3D surface profilometry. Finally, it can be concluded that SLM is an efficient method of fabricating cutting edge metal matrix nano-composite having Gr like reinforcement, which was very difficult to fabricate through conventional manufacturing techniques. Prepared composite has superior mechanical and tribological properties and can be used for a wide variety of engineering applications. However, due to the unavailability of a considerable amount of literature in a similar domain, more experimental works need to perform, such as thermal property analysis, and is a part of ongoing study.Keywords: selective laser melting, graphene, composite, mechanical property, tribological property
Procedia PDF Downloads 135985 Aqueous Hydrogen Sulphide in Slit-Shaped Silica Nano-Pores: Confinement Effects on Solubility, Structural and Dynamical Properties
Authors: Sakiru Badmos, David R. Cole, Alberto Striolo
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It is known that confinement in nm-size pores affects many structural and transport properties of water and co-existing volatile species. Of particular interest for fluids in sub-surface systems, in catalysis, and in separations are reports that confinement can enhance the solubility of gases in water. Equilibrium molecular dynamics simulations were performed for aqueous H₂S confined in slit-shaped silica pores at 313K. The effect of pore width on the H₂S solubility in water was investigated. Other properties of interest include the molecular distribution of the various fluid molecules within the pores, the hydration structure for solvated H₂S molecules, and the dynamical properties of the confined fluids. The simulation results demonstrate that confinement reduces the H₂S solubility in water and that the solubility increases with pore size. Analysis of spatial distribution functions suggests that these results are due to perturbations on the coordination of water molecules around H₂S due to confinement. Confinement is found to dampen the dynamical properties of aqueous H₂S as well. Comparing the results obtained for aqueous H₂S to those reported elsewhere for aqueous CH₄, it can be concluded that H₂S permeates hydrated slit-shaped silica nano-pores faster than CH₄. In addition to contributing to better understanding the behavior of fluids in subsurface formations, these observations could also have important implications for developing new natural gas sweetening technologies.Keywords: confinement, interfacial properties, molecular dynamic simulation, sub-surface formations
Procedia PDF Downloads 162984 Segmental Dynamics of Poly(Alkyl Methacrylate) Chain in Ultra-Thin Spin-Cast Films
Authors: Hiroyuki Aoki
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Polymeric materials are often used in a form of thin film such as food wrap and surface coating. In such the applications, polymer films thinner than 100 nm have been often used. The thickness of such the ultra-thin film is less than the unperturbed size of a polymer chain; therefore, the polymer chain in an ultra-thin film is strongly constrained. However, the details on the constrained dynamics of polymer molecules in ultra-thin films are still unclear. In the current study, the segmental dynamics of single polymer chain was directly investigated by fluorescence microscopy. The individual chains of poly(alkyl methacrylate) labeled by a perylenediimide dye molecule were observed by a highly sensitive fluorescence microscope in a defocus condition. The translational and rotational diffusion of the center segment in a single polymer chain was directly analyzed. The segmental motion in a thin film with a thickness of 10 nm was found to be suppressed compared to that in a bulk state. The detailed analysis of the molecular motion revealed that the diffusion rate of the in-plane rotation was similar to the thin film and the bulk; on the other hand, the out-of-plane motion was restricted in a thin film. This result indicates that the spatial restriction in an ultra-thin film thinner than the unperturbed chain dimension alters the dynamics of individual molecules in a polymer system.Keywords: polymer materials, single molecule, molecular motion, fluorescence microscopy, super-resolution techniques
Procedia PDF Downloads 315983 Local Binary Patterns-Based Statistical Data Analysis for Accurate Soccer Match Prediction
Authors: Mohammad Ghahramani, Fahimeh Saei Manesh
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Winning a soccer game is based on thorough and deep analysis of the ongoing match. On the other hand, giant gambling companies are in vital need of such analysis to reduce their loss against their customers. In this research work, we perform deep, real-time analysis on every soccer match around the world that distinguishes our work from others by focusing on particular seasons, teams and partial analytics. Our contributions are presented in the platform called “Analyst Masters.” First, we introduce various sources of information available for soccer analysis for teams around the world that helped us record live statistical data and information from more than 50,000 soccer matches a year. Our second and main contribution is to introduce our proposed in-play performance evaluation. The third contribution is developing new features from stable soccer matches. The statistics of soccer matches and their odds before and in-play are considered in the image format versus time including the halftime. Local Binary patterns, (LBP) is then employed to extract features from the image. Our analyses reveal incredibly interesting features and rules if a soccer match has reached enough stability. For example, our “8-minute rule” implies if 'Team A' scores a goal and can maintain the result for at least 8 minutes then the match would end in their favor in a stable match. We could also make accurate predictions before the match of scoring less/more than 2.5 goals. We benefit from the Gradient Boosting Trees, GBT, to extract highly related features. Once the features are selected from this pool of data, the Decision trees decide if the match is stable. A stable match is then passed to a post-processing stage to check its properties such as betters’ and punters’ behavior and its statistical data to issue the prediction. The proposed method was trained using 140,000 soccer matches and tested on more than 100,000 samples achieving 98% accuracy to select stable matches. Our database from 240,000 matches shows that one can get over 20% betting profit per month using Analyst Masters. Such consistent profit outperforms human experts and shows the inefficiency of the betting market. Top soccer tipsters achieve 50% accuracy and 8% monthly profit in average only on regional matches. Both our collected database of more than 240,000 soccer matches from 2012 and our algorithm would greatly benefit coaches and punters to get accurate analysis.Keywords: soccer, analytics, machine learning, database
Procedia PDF Downloads 238982 DCDNet: Lightweight Document Corner Detection Network Based on Attention Mechanism
Authors: Kun Xu, Yuan Xu, Jia Qiao
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The document detection plays an important role in optical character recognition and text analysis. Because the traditional detection methods have weak generalization ability, and deep neural network has complex structure and large number of parameters, which cannot be well applied in mobile devices, this paper proposes a lightweight Document Corner Detection Network (DCDNet). DCDNet is a two-stage architecture. The first stage with Encoder-Decoder structure adopts depthwise separable convolution to greatly reduce the network parameters. After introducing the Feature Attention Union (FAU) module, the second stage enhances the feature information of spatial and channel dim and adaptively adjusts the size of receptive field to enhance the feature expression ability of the model. Aiming at solving the problem of the large difference in the number of pixel distribution between corner and non-corner, Weighted Binary Cross Entropy Loss (WBCE Loss) is proposed to define corner detection problem as a classification problem to make the training process more efficient. In order to make up for the lack of Dataset of document corner detection, a Dataset containing 6620 images named Document Corner Detection Dataset (DCDD) is made. Experimental results show that the proposed method can obtain fast, stable and accurate detection results on DCDD.Keywords: document detection, corner detection, attention mechanism, lightweight
Procedia PDF Downloads 352981 Climate Change Threats to UNESCO-Designated World Heritage Sites: Empirical Evidence from Konso Cultural Landscape, Ethiopia
Authors: Yimer Mohammed Assen, Abiyot Legesse Kura, Engida Esyas Dube, Asebe Regassa Debelo, Girma Kelboro Mensuro, Lete Bekele Gure
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Climate change has posed severe threats to many cultural landscapes of UNESCO world heritage sites recently. The UNESCO State of Conservation (SOC) reports categorized flooding, temperature increment, and drought as threats to cultural landscapes. This study aimed to examine variations and trends of rainfall and temperature extreme events and their threats to the UNESCO-designated Konso Cultural Landscape in southern Ethiopia. The study used dense merged satellite-gauge station rainfall data (1981-2020) with spatial resolution of 4km by 4km and observed maximum and minimum temperature data (1987-2020). Qualitative data were also gathered from cultural leaders, local administrators, and religious leaders using structured interview checklists. The spatial patterns, coefficient of variation, standardized anomalies, trends, and magnitude of change of rainfall and temperature extreme events both at annual and seasonal levels were computed using the Mann-Kendall trend test and Sen’s slope estimator under the CDT package. The standard precipitation index (SPI) was also used to calculate drought severity, frequency, and trend maps. The data gathered from key informant interviews and focus group discussions were coded and analyzed thematically to complement statistical findings. Thematic areas that explain the impacts of extreme events on the cultural landscape were chosen for coding. The thematic analysis was conducted using Nvivo software. The findings revealed that rainfall was highly variable and unpredictable, resulting in extreme drought and flood. There were significant (P<0.05) increasing trends of heavy rainfall (R10mm and R20mm) and the total amount of rain on wet days (PRCPTOT), which might have resulted in flooding. The study also confirmed that absolute temperature extreme indices (TXx, TXn, and TNx) and the percentile-based temperature extreme indices (TX90p, TN90p, TX10p, and TN10P) showed significant (P<0.05) increasing trends which are signals for warming of the study area. The results revealed that the frequency as well as the severity of drought at 3-months (katana/hageya seasons) was more pronounced than the 12-months (annual) time scale. The highest number of droughts in 100 years is projected at a 3-months timescale across the study area. The findings also showed that frequent drought has led to loss of grasses which are used for making traditional individual houses and multipurpose communal houses (pafta), food insecurity, migration, loss of biodiversity, and commodification of stones from terrace. On the other hand, the increasing trends of rainfall extreme indices resulted in destruction of terraces, soil erosion, loss of life and damage of properties. The study shows that a persistent decline in farmland productivity, due to erratic and extreme rainfall and frequent drought occurrences, forced the local people to participate in non-farm activities and retreat from daily preservation and management of their landscape. Overall, the increasing rainfall and temperature extremes coupled with prevalence of drought are thought to have an impact on the sustainability of cultural landscape through disrupting the ecosystem services and livelihood of the community. Therefore, more localized adaptation and mitigation strategies to the changing climate are needed to maintain the sustainability of Konso cultural landscapes as a global cultural treasure and to strengthen the resilience of smallholder farmers.Keywords: adaptation, cultural landscape, drought, extremes indices
Procedia PDF Downloads 24980 Distribution and Taxonomy of Marine Fungi in Nha Trang Bay and Van Phong Bay, Vietnam
Authors: Thu Thuy Pham, Thi Chau Loan Tran, Van Duy Nguyen
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Marine fungi play an important role in the marine ecosystems. Marine fungi also supply biomass and metabolic products of industrial value. Currently, the biodiversity of marine fungi along the coastal areas of Vietnam has not yet been studied fully. The objective of this study is to assess the spatial and temporal diversity of planktonic fungi from the coastal waters of Nha Trang Bay and Van Phong Bay in Central Vietnam using culture-dependent and independent approach. Using culture-dependent approach, filamentous fungi and yeasts were isolated on selective media and then classified by phenotype and genotype based on the sequencing of ITS (internal transcribed spacers) regions of rDNA with two primer pairs (ITS1F_KYO2 and ITS4; NS1 and NS8). Using culture-independent approach, environmental DNA samples were isolated and amplified using fungal-specific ITS primer pairs. A total of over 160 strains were isolated from 10 seawater sampling stations at 50 cm depth. They were classified into diverse genera and species of both yeast and mold. At least 5 strains could be potentially novel species. Our results also revealed that planktonic fungi were molecularly diverse with hundreds of phylotypes recovered across these two bays. The results of the study provide data about the distribution and taxonomy of mycoplankton in this area, thereby allowing assessment of their positive role in the biogeochemical cycle of coastal ecosystems and the development of new bioactive compounds for industrial applications.Keywords: biodiversity, ITS, marine fungi, Nha Trang Bay, Van Phong Bay
Procedia PDF Downloads 189979 An Efficient Backward Semi-Lagrangian Scheme for Nonlinear Advection-Diffusion Equation
Authors: Soyoon Bak, Sunyoung Bu, Philsu Kim
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In this paper, a backward semi-Lagrangian scheme combined with the second-order backward difference formula is designed to calculate the numerical solutions of nonlinear advection-diffusion equations. The primary aims of this paper are to remove any iteration process and to get an efficient algorithm with the convergence order of accuracy 2 in time. In order to achieve these objects, we use the second-order central finite difference and the B-spline approximations of degree 2 and 3 in order to approximate the diffusion term and the spatial discretization, respectively. For the temporal discretization, the second order backward difference formula is applied. To calculate the numerical solution of the starting point of the characteristic curves, we use the error correction methodology developed by the authors recently. The proposed algorithm turns out to be completely iteration-free, which resolves the main weakness of the conventional backward semi-Lagrangian method. Also, the adaptability of the proposed method is indicated by numerical simulations for Burgers’ equations. Throughout these numerical simulations, it is shown that the numerical results are in good agreement with the analytic solution and the present scheme offer better accuracy in comparison with other existing numerical schemes. Semi-Lagrangian method, iteration-free method, nonlinear advection-diffusion equation, second-order backward difference formulaKeywords: Semi-Lagrangian method, iteration free method, nonlinear advection-diffusion equation, second-order backward difference formula
Procedia PDF Downloads 319978 Managing Shallow Gas for Offshore Platforms via Fit-For-Purpose Solutions: Case Study for Offshore Malaysia
Authors: Noorizal Huang, Christian Girsang, Mohamad Razi Mansoor
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Shallow gas seepage was first spotted at a central processing platform offshore Malaysia in 2010, acknowledged as Platform T in this paper. Frequent monitoring of the gas seepage was performed through remotely operated vehicle (ROV) baseline survey and a comprehensive geophysical survey was conducted to understand the characteristics of the gas seepage and to ensure that the integrity of the foundation at Platform T was not compromised. The origin of the gas back then was unknown. A soil investigation campaign was performed in 2016 to study the origin of the gas seepage. Two boreholes were drilled; a composite borehole to 150m below seabed for the purpose of soil sampling and in-situ testing and a pilot hole to 155m below the seabed, which was later converted to a fit-for-purpose relief well as an alternate migration path for the gas. During the soil investigation campaign, dissipation tests were performed at several layers which were potentially the source or migration path for the gas. Five (5) soil samples were segregated for headspace test, to identify the gas type which subsequently can be used to identify the origin of the gas. Dissipation tests performed at four depth intervals indicates pore water pressure less than 20 % of the effective vertical stress and appear to continue decreasing if the test had not been stopped. It was concluded that a low to a negligible amount of excess pore pressure exist in clayey silt layers. Results from headspace test show presence of methane corresponding to the clayey silt layers as reported in the boring logs. The gas most likely comes from biogenic sources, feeding on organic matter in situ over a large depth range. It is unlikely that there are large pockets of gas in the soil due to its homogeneous clayey nature and the lack of excess pore pressure in other permeable clayey silt layers encountered. Instead, it is more likely that when pore water at certain depth encounters a more permeable path, such as a borehole, it rises up through this path due to the temperature gradient in the soil. As the water rises the pressure decreases, which could cause gases dissolved in the water to come out of solution and form bubbles. As a result, the gas will have no impact on the integrity of the foundation at Platform T. The fit-for-purpose relief well design as well as adopting headspace testing can be used to address the shallow gas issue at Platform T in a cost effective and efficient manners.Keywords: dissipation test, headspace test, excess pore pressure, relief well, shallow gas
Procedia PDF Downloads 272977 Valuing Public Urban Street Trees and Their Environmental Spillover Benefits
Authors: Sofia F. Franco, Jacob Macdonald
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This paper estimates the value of urban public street trees and their complementary and substitution value with other broader urban amenities and dis-amenities via the residential housing market. We estimate a lower bound value on a city’s tree amenities under instrumental variable and geographic regression discontinuity approaches with an application to Lisbon, Portugal. For completeness, we also explore how urban trees and in particular public street trees impact house prices across the city. Finally, we jointly analyze the planting and maintenance costs and benefits of urban street trees. The estimated value of all public trees in Lisbon is €8.84M. When considering specifically trees planted alongside roads and in public squares, the value is €6.06M or €126.64 per tree. This value is conditional on the distribution of trees in terms of their broader density, with higher effects coming from the overall greening of larger areas of the city compared to the greening of the direct neighborhood. Detrimental impacts are found when the number of trees is higher near street canyons, where they may exacerbate the stagnation of air pollution from traffic. Urban street trees also have important spillover benefits due to pollution mitigation around €6.21 million, or an additional €129.93 per tree. There are added benefits of €26.32 and €28.58 per tree in terms of flooding and heat mitigation, respectively. With significant resources and policies aimed at urban greening, the value obtained is shown to be important for discussions on the benefits of urban trees as compared to mitigation and abatement costs undertaken by a municipality.Keywords: urban public goods, urban street trees, spatial boundary discontinuities, geospatial and remote sensing methods
Procedia PDF Downloads 176976 The Abundance and Distribution of Locally Important Species Along Different Altitude: The Case of Mountain Damota, Wolaita South Ethiopia
Authors: Tamirat Solomon, Tadesse Faltamo, Belete Limani
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This study was conducted on the mountain Damota of Wolaita to assess the abundance and spatial distribution of two locally important indigenous medicinal plants on the mountain landscape. A total of 130 plots measuring 20x20m were established along eight systematically laid transect lines. In each plot, the abundance and distribution of Hagenia abyssinica (tree) and Pentas schiperiana Vatke (shrub) were evaluated. The abundance and distribution of H. abyssinica were evaluated by measuring height and DBH for mature trees and counting seedlings and saplings, whereas the P. schiperiana Vatke was assessed for its abundance and distribution by counting in each plot. In the entire study plots, a total of 485 H. abyssinica and 760 P. schiperiana vatake were recorded. It was observed that the distribution of the species increased while the altitude increased and the highest abundance of the species was recorded at an altitude range between 2332 and 2661m.a.s.l. However, at the altitudes below 2320 m.a.s.l., the species distributions and abundance was decreased, indicating either the ecological preference of the species or the extraction of the local community surrounding the mountain influenced the species. On average, only 28 seedlings/ha of H. abyssinica and 146/ha of P. schiperiana vatke were recorded in the study areas showing the tendency of decline in the abundance and distribution of both species. Finally, we recommend management intervention for the socially important species which are under threat on the mountain landscape.Keywords: indigenous medicinal plants, H.abyssinic, P. schiperiana, distribution, abundance, socio-economic importance
Procedia PDF Downloads 120975 Ab Initio Approach to Generate a Binary Bulk Metallic Glass Foam
Authors: Jonathan Galvan-Colin, Ariel Valladares, Renela Valladares, Alexander Valladares
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Both porous materials and bulk metallic glasses have been studied due to their potential applications and their exceptional physical and chemical properties. However, each material presents certain drawbacks which have been thought to be overcome by generating bulk metallic glass foams (BMGF). Although some experimental reports have been performed on multicomponent BMGF, still no ab initio works have been published, as far as we know. We present an approach based on the expanding lattice (EL) method to generate binary amorphous nanoporous Cu64Zr36. Starting from two different configurations: a 108-atom crystalline cubic supercell (cCu64Zr36) and a 108-atom amorphous supercell (aCu64Zr36), both with an initial density of 8.06 g/cm3, we applied EL method to halve the density and to get 50% of porosity. After the lattice expansion the supercells were subject to ab initio molecular dynamics for 500 steps at constant room temperature. Then, the samples were geometry-optimized and characterized with the pair and radial distribution functions, bond-angle distributions and a coordination number analysis. We found that pores appeared along specific spatial directions different from one to another and that they differed in size and form as well, which we think is related to the initial structure. Due to the lack of experimental counterparts our results should be considered predictive and further studies are needed in order to handle a larger number of atoms and its implication on pore topology.Keywords: ab initio molecular dynamics, bulk mettalic glass, porous alloy
Procedia PDF Downloads 260974 Groundwater Numerical Modeling, an Application of Remote Sensing, and GIS Techniques in South Darb El Arbaieen, Western Desert, Egypt
Authors: Abdallah M. Fayed
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The study area is located in south Darb El Arbaieen, western desert of Egypt. It occupies the area between latitudes 22° 00/ and 22° 30/ North and Longitudes 29° 30/ and 30° 00/ East, from southern border of Egypt to the area north Bir Kuraiym and from the area East of East Owienat to the area west Tushka district, its area about 2750 Km2. The famous features; southern part of Darb El Arbaieen road, G Baraqat El Scab El Qarra, Bir Dibis, Bir El Shab and Bir Kuraiym, Interpretation of soil stratification shows layers that are related to Quaternary and Upper-Lower Cretaceous eras. It is dissected by a series of NE-SW striking faults. The regional groundwater flow direction is in SW-NE direction with a hydraulic gradient is 1m / 2km. Mathematical model program has been applied for evaluation of groundwater potentials in the main Aquifer –Nubian Sandstone- in the area of study and Remote sensing technique is considered powerful, accurate and saving time in this respect. These techniques are widely used for illustrating and analysis different phenomenon such as the new development in the desert (land reclamation), residential development (new communities), urbanization, etc. The major issues concerning water development objective of this work is to determine the new development areas in western desert of Egypt during the period from 2003 to 2015 using remote sensing technique, the impacts of the present and future development have been evaluated by using the two-dimensional numerical groundwater flow Simulation Package (visual modflow 4.2). The package was used to construct and calibrate a numerical model that can be used to simulate the response of the aquifer in the study area under implementing different management alternatives in the form of changes in piezometric levels and salinity. Total period of simulation is 100 years. After steady state calibration, two different scenarios are simulated for groundwater development. 21 production wells are installed at the study area and used in the model, with the total discharge for the two scenarios were 105000 m3/d, 210000 m3/d. The drawdown was 11.8 m and 23.7 m for the two scenarios in the end of 100 year. Contour maps for water heads and drawdown and hydrographs for piezometric head are represented. The drawdown was less than the half of the saturated thickness (the safe yield case).Keywords: remote sensing, management of aquifer systems, simulation modeling, western desert, South Darb El Arbaieen
Procedia PDF Downloads 399973 Variability of Hydrological Modeling of the Blue Nile
Authors: Abeer Samy, Oliver C. Saavedra Valeriano, Abdelazim Negm
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The Blue Nile Basin is the most important tributary of the Nile River. Egypt and Sudan are almost dependent on water originated from the Blue Nile. This multi-dependency creates conflicts among the three countries Egypt, Sudan, and Ethiopia making the management of these conflicts as an international issue. Good assessment of the water resources of the Blue Nile is an important to help in managing such conflicts. Hydrological models are good tool for such assessment. This paper presents a critical review of the nature and variability of the climate and hydrology of the Blue Nile Basin as a first step of using hydrological modeling to assess the water resources of the Blue Nile. Many several attempts are done to develop basin-scale hydrological modeling on the Blue Nile. Lumped and semi distributed models used averages of meteorological inputs and watershed characteristics in hydrological simulation, to analyze runoff for flood control and water resource management. Distributed models include the temporal and spatial variability of catchment conditions and meteorological inputs to allow better representation of the hydrological process. The main challenge of all used models was to assess the water resources of the basin is the shortage of the data needed for models calibration and validation. It is recommended to use distributed model for their higher accuracy to cope with the great variability and complexity of the Blue Nile basin and to collect sufficient data to have more sophisticated and accurate hydrological modeling.Keywords: Blue Nile Basin, climate change, hydrological modeling, watershed
Procedia PDF Downloads 364972 Reconstructability Analysis for Landslide Prediction
Authors: David Percy
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Landslides are a geologic phenomenon that affects a large number of inhabited places and are constantly being monitored and studied for the prediction of future occurrences. Reconstructability analysis (RA) is a methodology for extracting informative models from large volumes of data that work exclusively with discrete data. While RA has been used in medical applications and social science extensively, we are introducing it to the spatial sciences through applications like landslide prediction. Since RA works exclusively with discrete data, such as soil classification or bedrock type, working with continuous data, such as porosity, requires that these data are binned for inclusion in the model. RA constructs models of the data which pick out the most informative elements, independent variables (IVs), from each layer that predict the dependent variable (DV), landslide occurrence. Each layer included in the model retains its classification data as a primary encoding of the data. Unlike other machine learning algorithms that force the data into one-hot encoding type of schemes, RA works directly with the data as it is encoded, with the exception of continuous data, which must be binned. The usual physical and derived layers are included in the model, and testing our results against other published methodologies, such as neural networks, yields accuracy that is similar but with the advantage of a completely transparent model. The results of an RA session with a data set are a report on every combination of variables and their probability of landslide events occurring. In this way, every combination of informative state combinations can be examined.Keywords: reconstructability analysis, machine learning, landslides, raster analysis
Procedia PDF Downloads 64971 Girls’ Education Policy and Practices in Three Selected Countries of Africa: Feminism, Educational Reform and Cultural Inflections in View
Authors: Endalew Fufa Kufi
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One of the major concerns in educational provision and success determination is access to available opportunities. In that, girls’ access to education has been a point of concern, and more emphasis has come to be at the forefront regarding success. Researches have mostly been held on extremes such as equal access and success, but only a few works deal with process issues related to home and school interplay, issues of progress from lower to higher levels, and spatial conditions related to girls’ education. Hence, this survey assessed experiences in three countries of Africa: Ethiopia, Ghana, and Botswana regarding girls’ education in policy and practice as related to contextual matters in girls’ education. Contextual discourse analysis of qualitative design was used to materialize the study. From each country, five research works held 2010 onwards were purposively selected through criterion-sampling. On the policy aspect, workable documents were looked into. The findings denoted that educational access was of more stretch and generic nature, and the narration was dominated by institutional expectations, not identifying which group should benefit what. The researches largely dealt with either subject-specific dealings or access alone at large. Success studies, by far, dealt with a comparison of girls with boys rather than determinant-related projections. Moreover, the cultural representation of girls’ education had a very minimal part in both policy and researches. From that, it could be found that in-depth scrutiny on the individual, institutional, and leadership determinants of girls’ education would be necessary.Keywords: determinants, girls, education, feminism
Procedia PDF Downloads 293970 Using Coupled Oscillators for Implementing Frequency Diverse Array
Authors: Maryam Hasheminasab, Ahmed Cheldavi, Ahmed Kishk
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Frequency-diverse arrays (FDAs) have garnered significant attention from researchers due to their ability to combine frequency diversity with the inherent spatial diversity of an array. The introduction of frequency diversity in FDAs enables the generation of auto-scanning patterns that are range-dependent, which can have advantageous applications in communication and radar systems. However, the main challenge in implementing FDAs lies in determining the technique for distributing frequencies among the array elements. One approach to address this challenge is by utilizing coupled oscillators, which are a technique commonly employed in active microwave theory. Nevertheless, the limited stability range of coupled oscillators poses another obstacle to effectively utilizing this technique. In this paper, we explore the possibility of employing a coupled oscillator array in the mode lock state (MLS) for implementing frequency distribution in FDAs. Additionally, we propose and simulate the use of a digital phase-locked loop (DPLL) as a backup technique to stabilize the oscillators. Through simulations, we validate the functionality of this technique. This technique holds great promise for advancing the implementation of phased arrays and overcoming current scan rate and phase shifter limitations, especially in millimeter wave frequencies.Keywords: angle-changing rate, auto scanning beam, pull-in range, hold-in range, locking range, mode locked state, frequency locked state
Procedia PDF Downloads 85969 Spatial Variation of Groundwater Potential at Erusu-Arigidi in Ondo State
Authors: Onifade Yemi Sikiru, Vwoke Eruya
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An investigation has been made of the groundwater potentials of Erusu-Arigidi, Ondo State, Nigeria and using an electrical resistivity survey. This study was motivated to determine the electrical resistivity parameters of the area. This work aims to use the electrical resistivity method to explore the groundwater potentials of the study area. A total of ten vertical electrical soundings (VES) were conducted with a maximum electrode spacing of 150 m. The data was acquired using ABEM SAS 1000 Terrameter and processed using WINRESIST. The interpreted and analyzed results reveal four to six geoelectric layers. The VES curves obtained were QH, H, AAA, HKH, and HA. Findings from the study revealed that the geoelectric layer ranges from 3 to 5 layers. From the result, the Dar Zarrouk parameters longitudinal conductance (S) and transverse resistance (Tr), average longitudinal resistance (), transverse resistivity (), coefficient of anisotropy (λ), and reflection coefficient ranges from 0.22 to 1.45mhos, 67.12 to 4262.91 Ω/m², 8.81 to 76.12 Ω-m, 12.0 to 243.5 Ωm², 1.01 to 1.78, and 0.72 to 0.99 respectively. Deduction from S suggested that groundwater tends to be slightly vulnerable to surface contamination. Further findings from Dar Zarrouk parameters revealed that southwest parts of the study area tend to have high groundwater potential when compared to other parts of the study area. While hydraulic conductivity and transmissivity range from 0.003 to 0.051m/day, and 11.16 to 158.30m²/day, results obtained from H and T revealed northwest parts of the study area are considered to be aquiferous when compared to other parts of the research area.Keywords: variation, isoresistivity, hydraulic conductivity, groundwater
Procedia PDF Downloads 75968 Assessing the Walkability and Urban Design Qualities of Campus Streets
Authors: Zhehao Zhang
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Walking has become an indispensable and sustainable way of travel for college students in their daily lives; campus street is an important carrier for students to walk and take part in a variety of activities, improving the walkability of campus streets plays an important role in optimizing the quality of campus space environment, promoting the campus walking system and inducing multiple walking behaviors. The purpose of this paper is to explore the effect of campus layout, facility distribution, and location site selection on the walkability of campus streets, and assess the street design qualities from the elements of imageability, enclosure, complexity, transparency, and human scale, and further examines the relationship between street-level urban design perceptual qualities and walkability and its effect on walking behavior in the campus. Taking Tianjin University as the research object, this paper uses the optimized walk score method based on walking frequency, variety, and distance to evaluate the walkability of streets from a macro perspective and measures the urban design qualities in terms of the calculation of street physical environment characteristics, as well as uses behavior annotation and street image data to establish temporal and spatial behavior database to analyze walking activity from the microscopic view. In addition, based on the conclusions, the improvement and design strategy will be presented from the aspects of the built walking environment, street vitality, and walking behavior.Keywords: walkability, streetscapes, pedestrian activity, walk score
Procedia PDF Downloads 143967 When Mobile Work Creates More Discrimination
Authors: Marie-Therese Claes, Anett Hermann
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With the advent of the web and information technology since the end of the 20ᵗʰ century, digitalization has revolutionized our everyday life, from shopping and dating to education and transportation. The world of work is one of the areas that has been highly transformed by changing the time and spatial limits of the work. The expansion of the internet, wireless, and easily portable devices such as laptop computers and mobile phones has enabled us to work almost from any place at any time. As a result, telework, which started in the 1950s and elevated in the 1970s, steeply raised to a new level in 21ˢᵗ century. Telework consists of various forms of work done from outside the traditional workplace by using information technologies. The social distancing and lockdown measures that have been taken to reduce the spread of the virus in many countries worldwide resulted in an increasing number of teleworkers and made “working from home’’ synonymous with telework. Post-COVID-19, the number of teleworkers is still higher than before the pandemic period, and the interest in expanding teleworking has been growing too. Notwithstanding the advantages ushered by telework, it also has a number of drawbacks that negatively affect organizations and employees. The intention of this piece of work is not to indicate a causational relationship between telework and discrimination. Our aim is to indicate some unintended and/or unnoticed deleterious effects of telework in reinforcing discrimination and to instigate discussion on how to mitigate the effects. To do so, this insight indicates how telework reinforces traditional gender roles and how organizational culture towards telework and its access to employees at different levels of the organizational hierarchy opens the room for discrimination.Keywords: mobile work, discrimination, gender roles, organizational culture
Procedia PDF Downloads 65966 Full Characterization of Heterogeneous Antibody Samples under Denaturing and Native Conditions on a Hybrid Quadrupole-Orbitrap Mass Spectrometer
Authors: Rowan Moore, Kai Scheffler, Eugen Damoc, Jennifer Sutton, Aaron Bailey, Stephane Houel, Simon Cubbon, Jonathan Josephs
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Purpose: MS analysis of monoclonal antibodies (mAbs) at the protein and peptide levels is critical during development and production of biopharmaceuticals. The compositions of current generation therapeutic proteins are often complex due to various modifications which may affect efficacy. Intact proteins analyzed by MS are detected in higher charge states that also provide more complexity in mass spectra. Protein analysis in native or native-like conditions with zero or minimal organic solvent and neutral or weakly acidic pH decreases charge state value resulting in mAb detection at higher m/z ranges with more spatial resolution. Methods: Three commercially available mAbs were used for all experiments. Intact proteins were desalted online using size exclusion chromatography (SEC) or reversed phase chromatography coupled on-line with a mass spectrometer. For streamlined use of the LC- MS platform we used a single SEC column and alternately selected specific mobile phases to perform separations in either denaturing or native-like conditions: buffer A (20 % ACN, 0.1 % FA) with Buffer B (100 mM ammonium acetate). For peptide analysis mAbs were proteolytically digested with and without prior reduction and alkylation. The mass spectrometer used for all experiments was a commercially available Thermo Scientific™ hybrid Quadrupole-Orbitrap™ mass spectrometer, equipped with the new BioPharma option which includes a new High Mass Range (HMR) mode that allows for improved high mass transmission and mass detection up to 8000 m/z. Results: We have analyzed the profiles of three mAbs under reducing and native conditions by direct infusion with offline desalting and with on-line desalting via size exclusion and reversed phase type columns. The presence of high salt under denaturing conditions was found to influence the observed charge state envelope and impact mass accuracy after spectral deconvolution. The significantly lower charge states observed under native conditions improves the spatial resolution of protein signals and has significant benefits for the analysis of antibody mixtures, e.g. lysine variants, degradants or sequence variants. This type of analysis requires the detection of masses beyond the standard mass range ranging up to 6000 m/z requiring the extended capabilities available in the new HMR mode. We have compared each antibody sample that was analyzed individually with mixtures in various relative concentrations. For this type of analysis, we observed that apparent native structures persist and ESI is benefited by the addition of low amounts of acetonitrile and formic acid in combination with the ammonium acetate-buffered mobile phase. For analyses on the peptide level we analyzed reduced/alkylated, and non-reduced proteolytic digests of the individual antibodies separated via reversed phase chromatography aiming to retrieve as much information as possible regarding sequence coverage, disulfide bridges, post-translational modifications such as various glycans, sequence variants, and their relative quantification. All data acquired were submitted to a single software package for analysis aiming to obtain a complete picture of the molecules analyzed. Here we demonstrate the capabilities of the mass spectrometer to fully characterize homogeneous and heterogeneous therapeutic proteins on one single platform. Conclusion: Full characterization of heterogeneous intact protein mixtures by improved mass separation on a quadrupole-Orbitrap™ mass spectrometer with extended capabilities has been demonstrated.Keywords: disulfide bond analysis, intact analysis, native analysis, mass spectrometry, monoclonal antibodies, peptide mapping, post-translational modifications, sequence variants, size exclusion chromatography, therapeutic protein analysis, UHPLC
Procedia PDF Downloads 360965 Laser Ultrasonic Imaging Based on Synthetic Aperture Focusing Technique Algorithm
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
Procedia PDF Downloads 132964 Development of pm2.5 Forecasting System in Seoul, South Korea Using Chemical Transport Modeling and ConvLSTM-DNN
Authors: Ji-Seok Koo, Hee‑Yong Kwon, Hui-Young Yun, Kyung-Hui Wang, Youn-Seo Koo
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This paper presents a forecasting system for PM2.5 levels in Seoul, South Korea, leveraging a combination of chemical transport modeling and ConvLSTM-DNN machine learning technology. Exposure to PM2.5 has known detrimental impacts on public health, making its prediction crucial for establishing preventive measures. Existing forecasting models, like the Community Multiscale Air Quality (CMAQ) and Weather Research and Forecasting (WRF), are hindered by their reliance on uncertain input data, such as anthropogenic emissions and meteorological patterns, as well as certain intrinsic model limitations. The system we've developed specifically addresses these issues by integrating machine learning and using carefully selected input features that account for local and distant sources of PM2.5. In South Korea, the PM2.5 concentration is greatly influenced by both local emissions and long-range transport from China, and our model effectively captures these spatial and temporal dynamics. Our PM2.5 prediction system combines the strengths of advanced hybrid machine learning algorithms, convLSTM and DNN, to improve upon the limitations of the traditional CMAQ model. Data used in the system include forecasted information from CMAQ and WRF models, along with actual PM2.5 concentration and weather variable data from monitoring stations in China and South Korea. The system was implemented specifically for Seoul's PM2.5 forecasting.Keywords: PM2.5 forecast, machine learning, convLSTM, DNN
Procedia PDF Downloads 54963 Water Diffusivity in Amorphous Epoxy Resins: An Autonomous Basin Climbing-Based Simulation Method
Authors: Betim Bahtiri, B. Arash, R. Rolfes
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Epoxy-based materials are frequently exposed to high-humidity environments in many engineering applications. As a result, their material properties would be degraded by water absorption. A full characterization of the material properties under hygrothermal conditions requires time- and cost-consuming experimental tests. To gain insights into the physics of diffusion mechanisms, atomistic simulations have been shown to be effective tools. Concerning the diffusion of water in polymers, spatial trajectories of water molecules are obtained from molecular dynamics (MD) simulations allowing the interpretation of diffusion pathways at the nanoscale in a polymer network. Conventional MD simulations of water diffusion in amorphous polymers lead to discrepancies at low temperatures due to the short timescales of the simulations. In the proposed model, this issue is solved by using a combined scheme of autonomous basin climbing (ABC) with kinetic Monte Carlo and reactive MD simulations to investigate the diffusivity of water molecules in epoxy resins across a wide range of temperatures. It is shown that the proposed simulation framework estimates kinetic properties of water diffusion in epoxy resins that are consistent with experimental observations and provide a predictive tool for investigating the diffusion of small molecules in other amorphous polymers.Keywords: epoxy resins, water diffusion, autonomous basin climbing, kinetic Monte Carlo, reactive molecular dynamics
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