Search results for: path formation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4468

Search results for: path formation

1918 Mechanical Investigation Approach to Optimize the High-Velocity Oxygen Fuel Fe-Based Amorphous Coatings Reinforced by B4C Nanoparticles

Authors: Behrooz Movahedi

Abstract:

Fe-based amorphous feedstock powders are used as the matrix into which various ratios of hard B4C nanoparticles (0, 5, 10, 15, 20 vol.%) as reinforcing agents were prepared using a planetary high-energy mechanical milling. The ball-milled nanocomposite feedstock powders were also sprayed by means of high-velocity oxygen fuel (HVOF) technique. The characteristics of the powder particles and the prepared coating depending on their microstructures and nanohardness were examined in detail using nanoindentation tester. The results showed that the formation of the Fe-based amorphous phase was noticed over the course of high-energy ball milling. It is interesting to note that the nanocomposite coating is divided into two regions, namely, a full amorphous phase region and homogeneous dispersion of B4C nanoparticles with a scale of 10–50 nm in a residual amorphous matrix. As the B4C content increases, the nanohardness of the composite coatings increases, but the fracture toughness begins to decrease at the B4C content higher than 20 vol.%. The optimal mechanical properties are obtained with 15 vol.% B4C due to the suitable content and uniform distribution of nanoparticles. Consequently, the changes in mechanical properties of the coatings were attributed to the changes in the brittle to ductile transition by adding B4C nanoparticles.

Keywords: Fe-based amorphous, B₄C nanoparticles, nanocomposite coating, HVOF

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1917 Analysis of Particulate Matter Concentration, EC, OC Emission and Elemental Composition for Biodiesel-Fuelled Diesel Engine

Authors: A. M. Ashraful, H .H. Masjuki, M. A. Kalam

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Comparative investigations were performed on the particles matter emitted from a DI diesel engine utilizing palm biodiesel. In this experiment, palm biodiesel PB10 (90% diesel and 10% palm biodiesel), PB20 (80% diesel, 20% palm biodiesel) and diesel fuel samples exhaust were investigated at different working condition (25% and 50% load at 1500 rpm constant speed). Observation of this experiment it clearly seen that at low load condition particle matter concentration of palm biodiesel exhaust were de-creased than that of diesel fuel. At no load and 25% load condition PB10 biodiesel blend exhibited 2.2 times lower PM concentration than that of diesel fuel. On the other hand, elemental carbon (EC) and organic emission for PB10 showed decreases trend as varies 4.2% to 6.6% and 32 to 39% respectively, while elemental carbon percentage increased by 0.85 to 10% respectively. Similarly, metal composition of PB10 biodiesel blend increased by 4.8 to 26.5% respectively. SEM images for B10 and B20 demonstrated granular structure particulates with greater grain sizes compared with diesel fuel. Finally, the experimental outcomes showed that the blend composition and degree of unsaturation of the methyl ester present in biodiesel influence on the particulate matter formation.

Keywords: particulate matter, elemental carbon, organic carbon, biodiesel

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1916 The Competence of Solving Mathematical Problems in the Formation of Ethical Values

Authors: Veronica Diaz Quezada

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A study and its preliminary results are presented. The research is descriptive and exploratory and it is still in process. Its objective is to develop an assessment method in the field of fostering values using competence mathematics problem solving. This is part of a more extensive research that aims at contributing to educational integration in Latin America, particularly to the development of proposals to link education for citizenship and the mathematics lessons. This is being carried out by research teams of University of Barcelona-España; University Nacional of Costa Rica; University Autónoma of Querétaro-México; Pontificia University Católica of Perú, University Nacional of Villa María- Argentina and University of Los Lagos-Chile, in the context of Andrés Bello Chair for the Association of Latin American Universities. This research was developed and implemented in Chile in 2016, using mixed research methods. It included interviews and a problem-solving math test with ethical values that was administered to students of the secondary education of the regions of Los Ríos and of the Lakes of Chile. The results show the lack of integration between the teaching of values and science discipline.

Keywords: citizenchip, ethical values, mathematics, secondary school, solving problem

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1915 Hot Air Flow Annealing of MAPbI₃ Perovskite: Structural and Optical Properties

Authors: Mouad Ouafi, Lahoucine Atourki, Larbi Laanab, Erika Vega, Miguel Mollar, Bernabe Marib, Boujemaa Jaber

Abstract:

Despite the astonishing emergence of the methylammonium lead triiodide perovskite as a promising light harvester for solar cells, their physical properties in solution-processed MAPbI₃ are still crucial and need to be improved. The objective of this work is to investigate the hot airflow effect during the growth of MAPbI₃ films using the spin-coating process on their structural, optical and morphological proprieties. The experimental results show that many physical proprieties of the perovskite strongly depend on the air flow temperature and the optimization which has a beneficial effect on the perovskite quality. In fact, a clear improvement of the crystallinity and the crystallite size of MAPbI₃ perovskite is demonstrated by the XRD analyses, when the airflow temperature is increased up to 100°C. Alternatively, as far as the surface morphology is concerned, SEM micrographs show that significant homogenous nucleation, uniform surface distribution and pin holes free with highest surface coverture of 98% are achieved when the airflow temperature reaches 100°C. At this temperature, the improvement is also observed when considering the optical properties of the films. By contrast, a remarkable degradation of the MAPbI₃ perovskites associated to the PbI₂ phase formation is noticed, when the hot airflow temperature is higher than 100°C, especially 300°C.

Keywords: hot air flow, crystallinity, surface coverage, perovskite morphology

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1914 Utilization of Biodiversity of Peaces Herbals Used as Food and Treat the Path of Economic Phu Sing District in Sisaket Province Thailand

Authors: Nopparet Thammasaranyakun

Abstract:

This research objects are: 1: To study the biodiversity of medicinal plants used for food and medicinal tourism economies along the Phu Sing district Sisaket province. 2: To study the use of medicinal plants used for food and medicinal tourism economies along the Phu Sing district Sisaket province. 3: To provide a database of information on biodiversity for food and medicinal plants and medicinal tourism economies along the Phu Sing district Sisaket province. 4: Learn to create a biodiversity of medicinal plants used as food and treatment by Journeys economic Phu Sing district Sisaket province Boundaries used in this study was the Phu Sing district. Population and Agricultural Development Center, rayong Mun due to the initiative for youth Local, Government Health officials, community leaders, teachers, students, schools, the local people and tourists. Sage wisdom to know the herbs and women's groups, OTOP Phu Sing district in SiisaKet province. By selecting the specific data that way. The process of participatory action research (PAR) is a community-based research. The method of collecting qualitative data. (Qualitative) tool is used from context, Community areas, interview and Taped recordings. Observation and focus group data was statistically analyzed using descriptive statistics (Descriptive Statistics). The results findings: 1- A study of the biodiversity of plants used for food and medicinal tourism economies along the Phu Sing district Sisaket province. Were used in the dry season and the rainy season find the medicinal plants of 251 species 41 types of drugs. 2- The study utilized medicinal plants used as food and the treatment of indigenous Phu Sing Sisaket province. Found 251 species have medicinal properties that are used for food and medicinal purposes 41 types of drugs. 3- Of the database technology of biodiversity for food and medicinal plants used by local treatment Phu Sing district Sisaket province. A data base of 251 medicinal species 41 types of drugs is used for food and medicinal properties Sisaket province. 4- learning the biodiversity of medicinal plants used for food and medicinal tourism economies along the Phu Sing district Sisaket province.

Keywords: utilization of biodiversity, peaces herbals, used as Food, Sing district, sisaket

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1913 Structural Investigation and Hyperfine Interactions of BaBiₓLaₓFe₁₂₋₂ₓO₁₉ (0.0 ≤ X ≤ 0.5) Hexaferrites

Authors: Hakan Gungunes, Ismail A. Auwal, Abdulhadi Baykal, Sagar E. Shirsath

Abstract:

Barium hexaferrite, BaFe₁₂O₁₉, substituted by Bi³⁺ and La³⁺ (BaBiₓLaₓFe₁₂₋₂ₓO₁₉ where 0.0 ≤ x ≤ 0.5) were prepared by solid state synthesis route. The effect of substituted Bi³⁺ and La³⁺ ions on the structure, morphology, magnetic and cation distributions of barium hexaferrite were investigated by X-ray powder diffractometry (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FT-IR) and Mössbauer spectroscopy. XRD powder patterns were refined by the Rietveld analysis method which confirmed the formation of single phase magneto-plumbite structure and the substitution of La³⁺ and Bi³⁺ ions into the lattice of barium ferrite. These results show that both La³⁺ and Bi³⁺ ions completely enter into barium hexaferrite lattice without disturbing the hexagonal ferrite structure. The EDX spectra confirmed the presence of all the constituents in expected elemental percentage. From 57Fe Mössbauer spectroscopy data, the variation in line width, isomer shift, quadrupole splitting and hyperfine magnetic field values on Bi and La substitutions have been determined. Cation distribution in the presently investigated hexaferrite system was estimated using the relative area of Mössbauer spectroscopy.

Keywords: hexaferrite, mössbauer, cation distribution, solid state synthesis

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1912 Mainland China and Taiwan’s Strategies for Overcoming the Middle/High Income Trap: Domestic Consensus-Building and the Foundations of Cross-Strait Interactions

Authors: Mingke Ma

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The recent discovery of the High-Income Trap phenomena and the established Middle-Income Trap literature have identified the similarity of the structural challenges that both Mainland China and Taiwan have been facing since the simultaneous growth slowdown from the 2000s. Mainland China and Taiwan’s ineffectiveness in productivity growth weakened their overall competitiveness in Global Value Chains. With the subsequent decline of industrial profitability, social compression from late development persists and jeopardises the social cohesion. From Ma Ying-jeou’s ‘633’ promise and Tsai Ing-wen’s ‘5+2’ industrial framework to Mainland China’s 11th to 14th Five-Year Plans, leaderships across the Strait have been striving to constitute new models for inclusive and sustainable development through policy responses. This study argues that social consensuses that have been constructed by the domestic political processes define the feasibility of the reform strategies, which further construct the conditions for Cross-Strait interactions. Based on the existing literature of New Institutional Economics, Middle/High Income Trap, and Compressed Development, this study adopts a Historical Institutionalist analytical framework to identify how the historical path-dependency contributes to the contemporary growth constraints in both economies and the political difficulty on navigating the institutional and Organisational change. It continues by tracing the political process of economic reform to examine the sustainability and resilience of the manifested social consensus that had empowered the proposed policy frameworks. Afterwards, it examines how the political outcomes in such a simultaneous process shared by both Mainland China and Taiwan construct the social, economic, institutional, and political foundations of contemporary Cross-Strait engagement.

Keywords: historical institutionalism, political economy, cross-strait relations, high/middle income trap

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1911 A Furaneol-Containing Glass-Ionomer Cement for Enhanced Antibacterial Activity

Authors: Dong Xie, Yuling Xu, Leah Howard

Abstract:

Secondary caries is found to be one of the main reasons to the restoration failure of dental restoratives. To prevent secondary caries formation, dental restoratives ought to be made antibacterial. In this study, a natural fruit component furaneol was tethered onto polyacid, the formed polyacid was used to formulate the light-curable glass-ionomer cements, and then the effect of this new antibacterial compound on compressive strength (CS) and antibacterial activity of the formed cement was evaluated. Fuji II LC glass powders were used as fillers. Compressive strength (CS) and S. mutans viability were used to evaluate the mechanical strength and antibacterial activity of the formed cement. The experimental cement showed a significant antibacterial activity, accompanying with an initial CS reduction. Increasing the compound loading significantly decreased the S. mutans viability from 5 to 81% and also reduced the initial CS of the formed cements from 4 to 58%. The cement loading with 7% antibacterial polymer showed 168 MPa, 7.8 GPa, 243 MPa, 46 MPa, and 57 MPa in yield strength, modulus, CS, diametral tensile strength and flexural strength, respectively, as compared to 141, 6.9, 236, 42 and 53 for Fuji II LC. The cement also showed an antibacterial function to other bacteria. No human saliva effect was noticed. It is concluded that the experimental cement may potentially be developed to a permanent antibacterial cement.

Keywords: antibacterial, dental materials, strength, cell viability

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1910 Heterodimetallic Ferrocenyl Dithiophosphonate Complexes of Nickel(II), Zinc(II) and Cadmium(II) as High Efficiency Co-Sensitizers in Dye-Sensitized Solar Cells

Authors: Tomilola J. Ajayi, Moses Ollengo, Lukas le Roux, Michael N. Pillay, Richard J. Staples, Shannon M. Biros Werner E. van Zyl

Abstract:

The formation, characterization, and dye-sensitized solar cell application of nickel(II), zinc(II) and cadmium(II) ferrocenyl dithiophosphonate complexes were investigated. The multidentate monoanionic ligand [S₂PFc(OH)]¯ (L1) was synthesized from the reaction between ferrocenyl Lawesson’s reagent, [FcP(=S)μ-S]₂ (FcLR), (Fc = ferrocenyl) and water. Ligand L1 could potentially coordinate to metal centers through the S, S’ and O donor atoms. The reaction between metal salt precursors and L1 produced a Ni(II) complex of the type [Ni{S₂P(Fc)(OH)}₂] (1) (molar ratio 1:2), a tetranickel (II) complex of the type [Ni₂{S₂OP(Fc)}₂]₂ (2) (molar ratio (1:1), as well as a Zn(II) complex [Zn{S₂P(Fc)(OH)}₂]₂ (3), and a Cd(II) complex [Cd{S₂P(Fc)(OH)}₂]₂ (4). Complexes 1-4 were characterized by 1H and 31P NMR and FT-IR, and complexes 1 and 2 were additionally analysed by X-Ray crystallography. After co-sensitization, the DSSCs were characterized using UV-Vis, cyclic voltammetry, electrochemical impedance spectroscopy, and photovoltaic measurements (I-V curves). Overall finding shows that co-sensitization of our compounds with ruthenium dye N719 resulted in a better overall solar conversion efficiency than only pure N719 dye under the same experimental conditions. In conclusion, we report the first examples of dye-sensitized solar cells (DSSCs) co-sensitized with ferrocenyl dithiophosphonate complexes.

Keywords: dithiophosphonate, dye sensitized solar cell, co-sensitization, solar efficiency

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1909 Characterization of Lahar Sands for Reclamation Projects in the Manila Bay, Philippines

Authors: Julian Sandoval, Philipp Schober

Abstract:

Lahar sand (lahars) is a material that originates from volcanic debris flows. During and after a volcano eruption, the lahars can move at speeds up to 22 meters per hour or more, so they can easily cover extensive areas and destroy any structure in their path. Mount Pinatubo eruption (1991) brought lahars to its vicinities, and its use has been a matter of research ever since. Lahars are often disposed of for land reclamation projects in the Manila Bay, Philippines. After reclamation, some deep loss deposits may still present and they are prone to liquefaction. To mitigate the risk of liquefaction of such deposits, Vibro compaction has been proposed and used as a ground improvement technique. Cone penetration testing (CPT) campaigns are usually initiated to monitor the effectiveness of the ground improvement works by vibro compaction. The CPT cone resistance is used to analyses the in-situ relative density of the reclaimed sand before and after compaction. Available correlations between the CPT cone resistance and the relative density are only valid for non-crushable sands. Due to the partially crushable nature of lahars, the CPT data requires to be adjusted to allow for a correct interpretation of the CPT data. The objective of this paper is to characterize the chemical and mechanical properties of the lahar sands used for an ongoing project in the Port of Manila, which comprises reclamation activities using lahars from the east of Mount Pinatubo, it investigates their effect in the proposed correction factor. Additionally, numerous CPTs were carried out in a test trial and during the execution of the project. Based on this data, the influence of the grid spacing, compaction steps and the holding time on the compaction results are analyzed. Moreover, the so-called “aging effect” of the lahars is studied by comparing the results of the CPT testing campaign at different times after the vibro compaction activities. A considerable increase in the tip resistance of the CPT was observed over time.

Keywords: vibro compaction, CPT, lahar sands, correction factor, chemical composition

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1908 Properties and Antimicrobial Activity of Fish Protein Isolate/Fish Skin Gelatin Film Containing Basil Leaf Essential Oil and Zinc Oxide Nanoparticles

Authors: Yasir Ali Arfat

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Composite films based on fish protein isolate (FPI) and fish skin gelatin (FSG) blend incorporated with 50 and 100% (w/w, protein) basil leaf essential oil (BEO) in the absence and presence of 3% (w/w, protein) ZnO nanoparticles (ZnONP) were prepared and characterised. Tensile strength (TS) decreased, whilst elongation at break (EAB) increased as BEO level increased (p < 0.05). However, ZnONP addition resulted in higher TS but lower EAB (p < 0.05). The lowest water vapour permeability (WVP) was observed for the film incorporated with 100% BEO and 3% ZnONP (p < 0.05). BEO and ZnONP incorporation decreased transparency of FPI/FSG films (p < 0.05). FTIR spectra indicated that films added with BEO exhibited higher hydrophobicity. Both BEO and ZnONP had a marked impact on thermal stability of the films. Microstructural study revealed that presence of ZnONP prevented bilayer formation of film containing 100% BEO. FPI/FSG films incorporated with 100% BEO, especially in combination with ZnONP, exhibited strong antibacterial activity against food pathogenic and spoilage bacteria and thus could be used as an active food packaging material to ensure safety and to extend the shelf-life of packaged foods.

Keywords: bionanocomposite, fish protein isolate, fish skin gelatin, basil essential oil, ZnO nanoparticles, antimicrobial packaging

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1907 Revealing the Structural and Dynamic Properties of Betaine Aldehyde Dehydrogenase 2 from Rice (Oryza sativa): Simulation Studies

Authors: Apisaraporn Baicharoen, Prapasiri Pongprayoon

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Betaine aldehyde dehydrogenase 2 (BADH2) is an enzyme that inhibits the accumulation of 2-acetyl-1-pyrroline (2AP), a potent flavor compound in rice fragrance. BADH2 contains three domains (NAD-binding, substrate-binding, and oligomerization domains). It catalyzes the oxidation of amino aldehydes. The lack of BADH2 results in the formation of 2AP and consequently an increase in rice fragrance. To date, inadequate data on BADH2 structure and function are available. An insight into the nature of BADH2 can serve as one of key starting points for the production of high quality fragrant rice. In this study, we therefore constructed the homology model of BADH2 and employed 500-ns Molecular Dynamics simulations (MD) to primarily understand the structural and dynamic properties of BADH2. Initially, Ramachandran plot confirms the good quality of modeled protein structure. Principle Component Analysis (PCA) was also calculated to capture the protein dynamics. Among 3 domains, the results show that NAD binding site is found to be more flexible. Moreover, interactions from key amino acids (N162, E260, C294, and Y419) that are crucial for function are investigated.

Keywords: betaine aldehyde dehydrogenase 2, fragrant rice, homology modeling, molecular dynamics simulations

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1906 Comparative Study in Evaluating the Antioxidation Efficiency for Native Types Antioxidants Extracted from Crude Oil with the Synthesized Class

Authors: Mohammad Jamil Abd AlGhani

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The natural native antioxidants N,N-P-methyl phenyl acetone and N,N-phenyl acetone were isolated from the Iraqi crude oil region of Kirkuk by ion exchange and their structure was characterized by spectral and chemical analysis methods. Tetraline was used as a liquid hydrocarbon to detect the efficiency of isolated molecules at elevated temperature (393 K) that it has physicochemical specifications and structure closed to hydrocarbons fractionated from crude oil. The synthesized universal antioxidant 2,6-ditertiaryisobutyl-p-methyl phenol (Unol) with known stochiometric coefficient of inhibition equal to (2) was used as a model for comparative evaluation at the same conditions. Modified chemiluminescence method was used to find the amount of absorbed oxygen and the induction periods in and without the existence of isolated antioxidants molecules. The results of induction periods and quantity of absorbed oxygen during the oxidation process were measured by manometric installation. It was seen that at specific equal concentrations of N,N-phenyl acetone and N, N-P-methyl phenyl acetone in comparison with Unol at 393 K were with (2) and (2.5) times efficient than do Unol. It means that they had the ability to inhibit the formation of new free radicals and prevent the chain reaction to pass from the propagation to the termination step rather than decomposition of formed hydroperoxides.

Keywords: antioxidants, chemiluminescence, inhibition, Unol

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1905 Acoustic Emission for Tool-Chip Interface Monitoring during Orthogonal Cutting

Authors: D. O. Ramadan, R. S. Dwyer-Joyce

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The measurement of the interface conditions in a cutting tool contact is essential information for performance monitoring and control. This interface provides the path for the heat flux to the cutting tool. This elevate in the cutting tool temperature leads to motivate the mechanism of tool wear, thus affect the life of the cutting tool and the productivity. This zone is representative by the tool-chip interface. Therefore, understanding and monitoring this interface is considered an important issue in machining. In this paper, an acoustic emission (AE) technique was used to find the correlation between AE parameters and the tool-chip interface. For this reason, a response surface design (RSD) has been used to analyse and optimize the machining parameters. The experiment design was based on the face centered, central composite design (CCD) in the Minitab environment. According to this design, a series of orthogonal cutting experiments for different cutting conditions were conducted on a Triumph 2500 lathe machine to study the sensitivity of the acoustic emission (AE) signal to change in tool-chip contact length. The cutting parameters investigated were the cutting speed, depth of cut, and feed and the experiments were performed for 6082-T6 aluminium tube. All the orthogonal cutting experiments were conducted unlubricated. The tool-chip contact area was investigated using a scanning electron microscope (SEM). The results obtained in this paper indicate that there is a strong dependence of the root mean square (RMS) on the cutting speed, where the RMS increases with increasing the cutting speed. A dependence on the tool-chip contact length has been also observed. However there was no effect observed of changing the cutting depth and feed on the RMS. These dependencies have been clarified in terms of the strain and temperature in the primary and secondary shear zones, also the tool-chip sticking and sliding phenomenon and the effect of these mechanical variables on dislocation activity at high strain rates. In conclusion, the acoustic emission technique has the potential to monitor in situ the tool-chip interface in turning and consequently could indicate the approaching end of life of a cutting tool.

Keywords: Acoustic emission, tool-chip interface, orthogonal cutting, monitoring

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1904 Drivers for Relationship Building in the Supply Chain: The Case of Luxury Food

Authors: Kateryna Merkulova, Alessio Castello, Maria Kreuzer

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This research investigates the drivers of long-term relationship building between customers and suppliers within the luxury food supply chain, a topic that remains largely unexplored in the current state of academic literature. This paper identifies for the first time the key elements that influence the formation and maintenance of effective supply chain relationships, which are crucial for navigating the complexities of the luxury food industry. In particular, it explores the critical role of trust in a business-to-business context, specifically emphasizing its significance in the luxury food supply chain. Empirically, this research is contextualized in the region of the French Riviera, which offers a gastronomic playground for food enthusiasts, making it ideally suited to explore the luxury food sector. Qualitative in-depth interviews with stakeholders along the luxury supply chain (i.e., suppliers, chefs, restaurant owners, and fine food shop managers) allow identifying key drivers of trustful business relationships. Triangulating different perspectives of stakeholders within the luxury supply chain adds validity and robustness to the findings. The findings have important theoretical and managerial implications for the effective functioning of long-term supplier-buyer relationships.

Keywords: luxury food, relationship building, B2B, supply chain, trust

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1903 Improvement of Model for SIMMER Code for SFR Corium Relocation Studies

Authors: A. Bachrata, N. Marie, F. Bertrand, J. B. Droin

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The in-depth understanding of severe accident propagation in Generation IV of nuclear reactors is important so that appropriate risk management can be undertaken early in their design process. This paper is focused on model improvements in the SIMMER code in order to perform studies of severe accident mitigation of Sodium Fast Reactor. During the design process of the mitigation devices dedicated to extraction of molten fuel from the core region, the molten fuel propagation from the core up to the core catcher has to be studied. In this aim, analytical as well as the complex thermo-hydraulic simulations with SIMMER-III code are performed. The studies presented in this paper focus on physical phenomena and associated physical models that influence the corium relocation. Firstly, the molten pool heat exchange with surrounding structures is analysed since it influences directly the instant of rupture of the dedicated tubes favouring the corium relocation for mitigation purpose. After the corium penetration into mitigation tubes, the fuel-coolant interactions result in formation of debris bed. Analyses of debris bed fluidization as well as sinking into a fluid are presented in this paper.

Keywords: corium, mitigation tubes, SIMMER-III, sodium fast reactor

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1902 Theoretical Study of Acetylation of P-Methylaniline Catalyzed by Cu²⁺ Ions

Authors: Silvana Caglieri

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

Keywords: amides, amines, DFT, MP2

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1901 Towards Innovation Performance among University Staff

Authors: Cheng Sim Quah, Sandra Phek Lin Sim

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This study examined how individuals in their respective teams contributed to innovation performance besides defining the term of innovation in their own respective views. This study also identified factors that motivated University staff to contribute to the innovation products. In addition, it examined whether there is a significant relationship between professional training level and the length of service among university staff towards innovation and to what extent do the two variables contributed towards innovative products. The significance of this study is that it revealed the strengths and weaknesses of the university staff when contributing to innovation performance. Stratified-random sampling was employed to determine the samples representing the population of lecturers in the study, involving 123 lecturers in one of the local universities in Malaysia. The method employed to analyze the data is through categorizing into themes for the open-ended questions besides using descriptive and inferential statistics for the quantitative data. This study revealed that two types of definition for the term “innovation” exist among the university staff, namely, creation of new product or new approach to do things as well as value-added creative way to upgrade or improve existing process and service to be more efficient. This study found that the most prominent factor that propel them towards innovation is to improve the product in order to benefit users, followed by self-satisfaction and recognition. This implies that the staff in the organization viewed the creation of innovative products as a process of growth to fulfill the needs of others and also to realize their personal potential. This study also found that there was only a significant relationship between the professional training level and the length of service of 4-6 years among the university staff. The rest of the groups based on the length of service showed that there was no significant relationship with the professional training level towards innovation. Moreover, results of the study on directional measures depicted that the relationship for the length of service of 4 - 6 years with professional training level among the university staff is quite weak. This implies that good organization management lies on the shoulders of the key leaders who enlighten the path to be followed by the staff.

Keywords: innovation, length of service, performance, professional training level, motivation

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1900 In vitro Effects of Viscum album on the Functionality of Rabbit Spermatozoa

Authors: Marek Halenár, Eva Tvrdá, Simona Baldovská, Ľubomír Ondruška, Peter Massányi, Adriana Kolesárová

Abstract:

This study aimed to assess the in vitro effects of different concentrations of the Viscum album extract on the motility, viability, and reactive oxygen species (ROS) production by rabbit spermatozoa during different time periods (0, 2, and 8h). Spermatozoa motility was assessed by using the CASA (Computer aided sperm analysis) system. Cell viability was evaluated by using the metabolic activity MTT assay, and the luminol-based luminometry was applied to quantify the ROS formation. The CASA analysis revealed that low Viscum concentrations were able to prevent a rapid decline of spermatozoa motility, especially in the case of concentrations ranging between 1 and 5 µg/mL (P<0.05 with respect to time 8h). At the same time, concentrations ranging between 1 and 100 µg/mL of the extract led to a significant preservation of the cell viability (P<0.05 in case of 5, 50 and 100 µg/mL; P<0.01 with respect to 1 and 10 µg/mL, time 8h). 1 and 5 µg/mL of the extract exhibited antioxidant characteristics, translated into a significant reduction of the ROS production, particularly notable at time 8h (P<0.01). The results indicate that the Viscum extract is capable of delaying the damage inflicted to the spermatozoon by the in vitro environment.

Keywords: CASA, mistletoe, mitochondrial activity, motility, reactive oxygen species, rabbits, spermatozoa, Viscum album

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1899 Stability Analysis of Slopes during Pile Driving

Authors: Yeganeh Attari, Gudmund Reidar Eiksund, Hans Peter Jostad

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In Geotechnical practice, there is no standard method recognized by the industry to account for the reduction of safety factor of a slope as an effect of soil displacement and pore pressure build-up during pile installation. Pile driving disturbs causes large strains and generates excess pore pressures in a zone that can extend many diameters from the installed pile, resulting in a decrease of the shear strength of the surrounding soil. This phenomenon may cause slope failure. Moreover, dissipation of excess pore pressure set-up may cause weakening of areas outside the volume of soil remoulded during installation. Because of complex interactions between changes in mean stress and shearing, it is challenging to predict installation induced pore pressure response. Furthermore, it is a complex task to follow the rate and path of pore pressure dissipation in order to analyze slope stability. In cohesive soils it is necessary to implement soil models that account for strain softening in the analysis. In the literature, several cases of slope failure due to pile driving activities have been reported, for instance, a landslide in Gothenburg that resulted in a slope failure destroying more than thirty houses and Rigaud landslide in Quebec which resulted in loss of life. Up to now, several methods have been suggested to predict the effect of pile driving on total and effective stress, pore pressure changes and their effect on soil strength. However, this is still not well understood or agreed upon. In Norway, general approaches applied by geotechnical engineers for this problem are based on old empirical methods with little accurate theoretical background. While the limitations of such methods are discussed, this paper attempts to capture the reduction in the factor of safety of a slope during pile driving, using coupled Finite Element analysis and cavity expansion method. This is demonstrated by analyzing a case of slope failure due to pile driving in Norway.

Keywords: cavity expansion method, excess pore pressure, pile driving, slope failure

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1898 Hybrid Fixation in Management of Proximal Diaphyseal Forearm Bone Fractures in Children

Authors: Tarek Aly

Abstract:

Introduction: Maintenance of the length, providing rotational stability, and preserving functional range of forearm motion is the mainstay of both bone forearm fractures treatment. Conservative treatment in older children may lead to malunion with poor remodeling capacity. Recent studies emphasized that the rate of complications with IM nailing was obviously increased in old children. Open reduction and internal fixation have been criticized for the amount of soft tissue dissection and periosteal stripping needed for fixation and excessive scar formation. The aim of this study was to evaluate the anatomical and functional outcomes of hybrid fixation in the treatment of closed proximal radius and ulna fractures in adolescents between 12 and 17 years of age. Patients and Methods: 30 cases of diaphyseal both bone forearm fractures treated with hybrid fixation (Nail radius – Plate ulna) and were available for a follow-up period of fewer than 24 months. Results: Clinically, 72% of cases had an excellent function, 22% had a good function, 4% had a fair function, and 2% had a poor function. Radiologically, signs of the union had appeared in the radius 2weeks earlier than in the ulna in 55% of cases. Conclusion: A hybrid fixation technique in adolescent proximal both-bones forearm fractures could be a viable option in managing these injuries.

Keywords: hyprid fixation, both bones, forearm, fractures

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1897 Preparation and in vitro Bactericidal and Fungicidal Efficiency of NanoSilver/Methylcellulose Hydrogel

Authors: A. Panacek, M. Kilianova, R. Prucek, V. Husickova, R. Vecerova, M. Kolar, L. Kvitek, R. Zboril

Abstract:

In this work we describe the preparation of NanoSilver/methylcellulose hydrogel containing silver nanoparticles (NPs) for topical bactericidal applications. Highly concentrated dispersion of silver NPs as high as of 5g/L of silver with diameter of 10nm was prepared by reduction of AgNO3 via strong reducing agent NaBH4. Silver NPs were stabilized by addition of sodium polyacrylate in order to prevent their aggregation at such high concentration. This way synthesized silver NPs were subsequently incorporated into methylcellulose suspension at elevated temperature resulting in formation of NanoSilver/methylcellulose hydrogel when temperature cooled down to laboratory conditions. In vitro antibacterial activity assay proved high bactericidal and fungicidal efficiency of silver NPs alone in the form of dispersion as well as in the form of hydrogel against broad spectrum of bacteria and yeasts including highly multiresistant strains such as methicillin-resistant Staphylococcus aureus. A very low concentrations of silver as low as 0.84mg/L Ag in as-prepared dispersion gave antibacterial performance. NanoSilver/methylcellulose hydrogel showed antibacterial action at the lowest used silver concentration equal to 25mg/L. Such prepared NanoSilver/methylcellulose hydrogel represent promising topical antimicrobial formulation for treatment of burns and wounds.

Keywords: antimicrobial, burn, hydrogel, silver NPs

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1896 Experimental Study of the Fiber Dispersion of Pulp Liquid Flow in Channels with Application to Papermaking

Authors: Masaru Sumida

Abstract:

This study explored the feasibility of improving the hydraulic headbox of papermaking machines by studying the flow of wood-pulp suspensions behind a flat plate inserted in parallel and convergent channels. Pulp fiber concentrations of the wake downstream of the plate were investigated by flow visualization and optical measurements. Changes in the time-averaged and fluctuation of the fiber concentration along the flow direction were examined. In addition, the control of the flow characteristics in the two channels was investigated. The behaviors of the pulp fibers and the wake flow were found to be strongly related to the flow states in the upstream passages partitioned by the plate. The distribution of the fiber concentration was complex because of the formation of a thin water layer on the plate and the generation of Karman’s vortices at the trailing edge of the plate. Compared with the flow in the parallel channel, fluctuations in the fiber concentration decreased in the convergent channel. However, at low flow velocities, the convergent channel has a weak effect on equilibrating the time-averaged fiber concentration. This shows that a rectangular trailing edge cannot adequately disperse pulp suspensions; thus, at low flow velocities, a convergent channel is ineffective in ensuring uniform fiber concentration.

Keywords: fiber dispersion, headbox, pulp liquid, wake flow

Procedia PDF Downloads 378
1895 Prediction of Deformations of Concrete Structures

Authors: A. Brahma

Abstract:

Drying is a phenomenon that accompanies the hardening of hydraulic materials. It can, if it is not prevented, lead to significant spontaneous dimensional variations, which the cracking is one of events. In this context, cracking promotes the transport of aggressive agents in the material, which can affect the durability of concrete structures. Drying shrinkage develops over a long period almost 30 years although most occurred during the first three years. Drying shrinkage stabilizes when the material is water balance with the external environment. The drying shrinkage of cementitious materials is due to the formation of capillary tensions in the pores of the material, which has the consequences of bringing the solid walls of each other. Knowledge of the shrinkage characteristics of concrete is a necessary starting point in the design of structures for crack control. Such knowledge will enable the designer to estimate the probable shrinkage movement in reinforced or prestressed concrete and the appropriate steps can be taken in design to accommodate this movement. This study is concerned the modelling of drying shrinkage of the hydraulic materials and the prediction of the rate of spontaneous deformations of hydraulic materials during hardening. The model developed takes in consideration the main factors affecting drying shrinkage. There was agreement between drying shrinkage predicted by the developed model and experimental results. In last we show that developed model describe the evolution of the drying shrinkage of high performances concretes correctly.

Keywords: drying, hydraulic concretes, shrinkage, modeling, prediction

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1894 TiO2/Clay Minerals (Palygorskite/Halloysite) Nanocomposite Coatings for Water Disinfection

Authors: Dionisios Panagiotaras, Dimitrios Papoulis, Elias Stathatos

Abstract:

Microfibrous palygorskite and tubular halloysite clay mineral combined with nanocrystalline TiO2 are incorporating in the preparation of nanocomposite films on glass substrates via sol-gel route at 450 °C. The synthesis is employing nonionic surfactant molecule as pore directing agent along with acetic acid-based sol-gel route without addition of water molecules. Drying and thermal treatment of composite films ensure elimination of organic material lead to the formation of TiO2 nanoparticles homogeneously distributed on the palygorskite or halloysite surfaces. Nanocomposite films without cracks of active anatase crystal phase on palygorskite and halloysite surfaces are characterized by microscopy techniques, UV-Vis spectroscopy, and porosimetry methods in order to examine their structural properties. The composite palygorskite-TiO2 and halloysite-TiO2 films with variable quantities of palygorskite and halloysite were tested as photocatalysts in the photo-oxidation of Basic Blue 41 azo dye in water. These nanocomposite films proved to be most promising photocatalysts and highly effective to dye’s decoloration in spite of small amount of palygorskite -TiO2 or halloysite- TiO2 catalyst immobilized onto glass substrates mainly due to the high surface area and uniform distribution of TiO2 on clay minerals avoiding aggregation.

Keywords: halloysite, palygorskite, photocatalysis, titanium dioxide

Procedia PDF Downloads 313
1893 Physico-Chemical Basis of Thermal Destruction of Benzo(a)Pyrene and Reducing Their Concentration in the Gas Phase

Authors: K. A. Kemelov, Z. K. Maymekov, D. A. Sambaeva, W. Frenzel

Abstract:

Benzo(a)pyrene is widespread carcinogenic and mutagenic environmental pollutant, which is formed in combustion processes of carbonaceous materials at high temperature and still health safety problem related benz(a)pyrene continues to remain actual. At the moment the mechanisms of formation of benzo(a)pyrene are not studied in detail, there is not concrete certain full scheme of synthesis of benzo(a)pyrene. Studies in this area are mainly dedicated to development of measuring tools and chemical reactions analyzes, or to obtain specific evidence of a large group of polycyclic aromatic hydrocarbons (PAHs). Consequently in this study we try to create physical and chemical model of oxidation and thermo destruction processes of benzo(a)pyrene, using critical thermodynamical parameters in order to estimate theoretical derivatives of benzo(a)pyrene and which conditions benzo(a)pyrene degraded into more harmful substances. According to this physical and chemical modeling of thermal destruction process of benzo(a)pyrene in wide ranges of change of temperature value were calculated. C20H12 - H2O-O2 system was taken for modeling of thermal destruction process of benzo(a)pyrene in order to establish distribution range of equilibrium structures and concentrations of molecules in a gas phase. Also technological ways of reduction of concentration of benzo(a)pyrene in a gas phase were supposed.

Keywords: benzo(a)pyrene, emission, PAH, thermodynamic parameters

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1892 Influence of Annealing Temperature on Optical, Anticandidal, Photocatalytic and Dielectric Properties of ZnO/TiO2 Nanocomposites

Authors: Wasi Khan, Suboohi Shervani, Swaleha Naseem, Mohd. Shoeb, J. A. Khan, B. R. Singh, A. H. Naqvi

Abstract:

We have successfully synthesized ZnO/TiO2 nanocomposite using a two-step solochemical synthesis method. The influence of annealing temperature on microstructural, optical, anticandidal, photocatalytic activities and dielectric properties were investigated. X-ray diffraction (XRD) and scanning electron microscopy (SEM) show the formation of nanocomposite and uniform surface morphology of all samples. The UV-Vis spectra indicate decrease in band gap energy with increase in annealing temperature. The anticandidal activity of ZnO/TiO2 nanocomposite was evaluated against MDR C. albicans 077. The in-vitro killing assay revealed that the ZnO/TiO2 nanocomposite efficiently inhibit the growth of the C. albicans 077. The nanocomposite also exhibited the photocatalytic activity for the degradation of methyl orange as a function of time at 465 nm wavelength. The electrical behaviour of composite has been studied over a wide range of frequencies at room temperature using complex impedance spectroscopy. The dielectric constants, dielectric loss and ac conductivity (σac) were studied as the function of frequency, which have been explained by ‘Maxwell Wagner Model’. The data reveals that the dielectric constant and loss (tanδ) exhibit the normal dielectric behavior and decreases with the increase in frequency.

Keywords: ZnO/TiO2 nanocomposites, SEM, photocatalytic activity, dielectric properties

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1891 Effects of Soil Erosion on Vegetation Development

Authors: Josephine Wanja Nyatia

Abstract:

The relationship between vegetation and soil erosion deserves attention due to its scientific importance and practical applications. A great deal of information is available about the mechanisms and benefits of vegetation in the control of soil erosion, but the effects of soil erosion on vegetation development and succession is poorly documented. Research shows that soil erosion is the most important driving force for the degradation of upland and mountain ecosystems. Soil erosion interferes with the process of plant community development and vegetation succession, commencing with seed formation and impacting throughout the whole growth phase and affecting seed availability, dispersal, germination and establishment, plant community structure and spatial distribution. There have been almost no studies on the effects of soil erosion on seed development and availability, of surface flows on seed movement and redistribution, and their influences on soil seed bank and on vegetation establishment and distribution. However, these effects may be the main cause of low vegetation cover in regions of high soil erosion activity, and these issues need to be investigated. Moreover, soil erosion is not only a negative influence on vegetation succession and restoration but also a driving force of plant adaptation and evolution. Consequently, we need to study the effects of soil erosion on ecological processes and on development and regulation of vegetation succession from the points of view of pedology and vegetation, plant and seed ecology, and to establish an integrated theory and technology for deriving practical solutions to soil erosion problems

Keywords: soil erosion, vegetation, development, seed availability

Procedia PDF Downloads 79
1890 Pharmacophore-Based Modeling of a Series of Human Glutaminyl Cyclase Inhibitors to Identify Lead Molecules by Virtual Screening, Molecular Docking and Molecular Dynamics Simulation Study

Authors: Ankur Chaudhuri, Sibani Sen Chakraborty

Abstract:

In human, glutaminyl cyclase activity is highly abundant in neuronal and secretory tissues and is preferentially restricted to hypothalamus and pituitary. The N-terminal modification of β-amyloids (Aβs) peptides by the generation of a pyro-glutamyl (pGlu) modified Aβs (pE-Aβs) is an important process in the initiation of the formation of neurotoxic plaques in Alzheimer’s disease (AD). This process is catalyzed by glutaminyl cyclase (QC). The expression of QC is characteristically up-regulated in the early stage of AD, and the hallmark of the inhibition of QC is the prevention of the formation of pE-Aβs and plaques. A computer-aided drug design (CADD) process was employed to give an idea for the designing of potentially active compounds to understand the inhibitory potency against human glutaminyl cyclase (QC). This work elaborates the ligand-based and structure-based pharmacophore exploration of glutaminyl cyclase (QC) by using the known inhibitors. Three dimensional (3D) quantitative structure-activity relationship (QSAR) methods were applied to 154 compounds with known IC50 values. All the inhibitors were divided into two sets, training-set, and test-sets. Generally, training-set was used to build the quantitative pharmacophore model based on the principle of structural diversity, whereas the test-set was employed to evaluate the predictive ability of the pharmacophore hypotheses. A chemical feature-based pharmacophore model was generated from the known 92 training-set compounds by HypoGen module implemented in Discovery Studio 2017 R2 software package. The best hypothesis was selected (Hypo1) based upon the highest correlation coefficient (0.8906), lowest total cost (463.72), and the lowest root mean square deviation (2.24Å) values. The highest correlation coefficient value indicates greater predictive activity of the hypothesis, whereas the lower root mean square deviation signifies a small deviation of experimental activity from the predicted one. The best pharmacophore model (Hypo1) of the candidate inhibitors predicted comprised four features: two hydrogen bond acceptor, one hydrogen bond donor, and one hydrophobic feature. The Hypo1 was validated by several parameters such as test set activity prediction, cost analysis, Fischer's randomization test, leave-one-out method, and heat map of ligand profiler. The predicted features were then used for virtual screening of potential compounds from NCI, ASINEX, Maybridge and Chembridge databases. More than seven million compounds were used for this purpose. The hit compounds were filtered by drug-likeness and pharmacokinetics properties. The selective hits were docked to the high-resolution three-dimensional structure of the target protein glutaminyl cyclase (PDB ID: 2AFU/2AFW) to filter these hits further. To validate the molecular docking results, the most active compound from the dataset was selected as a reference molecule. From the density functional theory (DFT) study, ten molecules were selected based on their highest HOMO (highest occupied molecular orbitals) energy and the lowest bandgap values. Molecular dynamics simulations with explicit solvation systems of the final ten hit compounds revealed that a large number of non-covalent interactions were formed with the binding site of the human glutaminyl cyclase. It was suggested that the hit compounds reported in this study could help in future designing of potent inhibitors as leads against human glutaminyl cyclase.

Keywords: glutaminyl cyclase, hit lead, pharmacophore model, simulation

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1889 Level Set Based Extraction and Update of Lake Contours Using Multi-Temporal Satellite Images

Authors: Yindi Zhao, Yun Zhang, Silu Xia, Lixin Wu

Abstract:

The contours and areas of water surfaces, especially lakes, often change due to natural disasters and construction activities. It is an effective way to extract and update water contours from satellite images using image processing algorithms. However, to produce optimal water surface contours that are close to true boundaries is still a challenging task. This paper compares the performances of three different level set models, including the Chan-Vese (CV) model, the signed pressure force (SPF) model, and the region-scalable fitting (RSF) energy model for extracting lake contours. After experiment testing, it is indicated that the RSF model, in which a region-scalable fitting (RSF) energy functional is defined and incorporated into a variational level set formulation, is superior to CV and SPF, and it can get desirable contour lines when there are “holes” in the regions of waters, such as the islands in the lake. Therefore, the RSF model is applied to extracting lake contours from Landsat satellite images. Four temporal Landsat satellite images of the years of 2000, 2005, 2010, and 2014 are used in our study. All of them were acquired in May, with the same path/row (121/036) covering Xuzhou City, Jiangsu Province, China. Firstly, the near infrared (NIR) band is selected for water extraction. Image registration is conducted on NIR bands of different temporal images for information update, and linear stretching is also done in order to distinguish water from other land cover types. Then for the first temporal image acquired in 2000, lake contours are extracted via the RSF model with initialization of user-defined rectangles. Afterwards, using the lake contours extracted the previous temporal image as the initialized values, lake contours are updated for the current temporal image by means of the RSF model. Meanwhile, the changed and unchanged lakes are also detected. The results show that great changes have taken place in two lakes, i.e. Dalong Lake and Panan Lake, and RSF can actually extract and effectively update lake contours using multi-temporal satellite image.

Keywords: level set model, multi-temporal image, lake contour extraction, contour update

Procedia PDF Downloads 362