Search results for: flame retardant properties
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9006

Search results for: flame retardant properties

3846 Zinc (II) Complexes of Nitrogen, Oxygen and Sulfur Coordination Modes: Synthesis, Spectral Studies and Antibacterial Activities

Authors: Ayodele Odularu, Peter Ajibade, Albert Bolhuis

Abstract:

This study aimed at assessing the antibacterial activities of four zinc (II) complexes. Zinc (II) complexes of nitrogen, oxygen and sulfur coordination modes were synthesized using direct substitution reaction. The characterization techniques involved physicochemical properties (molar conductivity) and spectroscopic techniques. The molar conductivity gave the non-electrolytic nature of zinc (II) complexes. The spectral studies of zinc (II) complexes were done using electronic spectra (UV-Vis) and Fourier Transform Infra-red Spectroscopy (FT-IR). Spectral data from the spectroscopic studies confirmed the coordination of the mixed ligands with zinc (II) ion. The antibacterial activities of zinc(II) complexes of were all in supportive of Overtone’s concept and Tweedy’s theory of chelation for bacterial strains of S. aureus MRSA252 and E coli MC4100 because the zones of inhibition were greater than the corresponding ligands. In summary, all zinc (II) complexes of ZEPY, ZE1PH, ZE1PY and ZE135PY all have potentials for antibacterial activities.

Keywords: antibacterial activities, spectral studies, syntheses, zinc(II) complexes

Procedia PDF Downloads 261
3845 Variogram Fitting Based on the Wilcoxon Norm

Authors: Hazem Al-Mofleh, John Daniels, Joseph McKean

Abstract:

Within geostatistics research, effective estimation of the variogram points has been examined, particularly in developing robust alternatives. The parametric fit of these variogram points which eventually defines the kriging weights, however, has not received the same attention from a robust perspective. This paper proposes the use of the non-linear Wilcoxon norm over weighted non-linear least squares as a robust variogram fitting alternative. First, we introduce the concept of variogram estimation and fitting. Then, as an alternative to non-linear weighted least squares, we discuss the non-linear Wilcoxon estimator. Next, the robustness properties of the non-linear Wilcoxon are demonstrated using a contaminated spatial data set. Finally, under simulated conditions, increasing levels of contaminated spatial processes have their variograms points estimated and fit. In the fitting of these variogram points, both non-linear Weighted Least Squares and non-linear Wilcoxon fits are examined for efficiency. At all levels of contamination (including 0%), using a robust estimation and robust fitting procedure, the non-weighted Wilcoxon outperforms weighted Least Squares.

Keywords: non-linear wilcoxon, robust estimation, variogram estimation, wilcoxon norm

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3844 The High Temperature Damage of DV–2 Turbine Blade Made from Ni–Base Superalloy

Authors: Juraj Belan, Lenka Hurtalová, Eva Tillová, Alan Vaško, Milan Uhríčik

Abstract:

High-pressure turbine (HPT) blades of DV–2 jet engines are made from Ni–base superalloy, a former Soviet Union production, specified as ŽS6K. For improving its high-temperature resistance are blades covered with Al–Si diffusion layer. A regular operation temperature of HPT blades vary from 705°C to 750°C depending on jet engine regime. An over-crossing working temperature range causes degradation of protective alitize layer as well as base material–gamma matrix and gamma prime particles what decreases turbine blade lifetime. High-temperature degradation has mainly diffusion mechanism and causes coarsening of strengthening phase gamma prime and protective alitize layer thickness growing. All changes have a significant influence on high-temperature properties of base material.

Keywords: alitize layer, gamma prime phase, high-temperature degradation, Ni–base superalloy ŽS6K, turbine blade

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3843 Wicking and Evaporation of Liquids in Knitted Fabrics: Analytic Solution of Capillary Rise Restrained by Gravity and Evaporation

Authors: N. S. Achour, M. Hamdaoui, S. Ben Nasrallah

Abstract:

Wicking and evaporation of water in porous knitted fabrics is investigated by combining experimental and analytical approaches: The standard wicking model from Lucas and Washburn is enhanced to account for evaporation and gravity effects. The goal is to model the effect of gravity and evaporation on wicking using simple analytical expressions and investigate the influence of fabrics geometrical parameters, such as porosity and thickness on evaporation impact on maximum reachable height values. The results show that fabric properties have a significant influence on evaporation effect. In this paper, an experimental study of determining water kinetics from different knitted fabrics were gravimetrically investigated permitting the measure of the mass and the height of liquid rising in fabrics in various atmospheric conditions. From these measurements, characteristic pore parameters (capillary radius and permeability) can be determined.

Keywords: evaporation, experimental study, geometrical parameters, model, porous knitted fabrics, wicking

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3842 Stability of Porous SiC Based Materials under Relevant Conditions of Radiation and Temperature

Authors: Marta Malo, Carlota Soto, Carmen García-Rosales, Teresa Hernández

Abstract:

SiC based composites are candidates for possible use as structural and functional materials in the future fusion reactors, the main role is intended for the blanket modules. In the blanket, the neutrons produced in the fusion reaction slow down and their energy is transformed into heat in order to finally generate electrical power. In the blanket design named Dual Coolant Lead Lithium (DCLL), a PbLi alloy for power conversion and tritium breeding circulates inside hollow channels called Flow Channel Inserts (FCIs). These FCI must protect the steel structures against the highly corrosive PbLi liquid and the high temperatures, but also provide electrical insulation in order to minimize magnetohydrodynamic interactions of the flowing liquid metal with the high magnetic field present in a magnetically confined fusion environment. Due to their nominally high temperature and radiation stability as well as corrosion resistance, SiC is the main choice for the flow channel inserts. The significantly lower manufacturing cost presents porous SiC (dense coating is required in order to assure protection against corrosion and as a tritium barrier) as a firm alternative to SiC/SiC composites for this purpose. This application requires the materials to be exposed to high radiation levels and extreme temperatures, conditions for which previous studies have shown noticeable changes in both the microstructure and the electrical properties of different types of silicon carbide. Both initial properties and radiation/temperature induced damage strongly depend on the crystal structure, polytype, impurities/additives that are determined by the fabrication process, so the development of a suitable material requires full control of these variables. For this work, several SiC samples with different percentage of porosity and sintering additives have been manufactured by the so-called sacrificial template method at the Ceit-IK4 Technology Center (San Sebastián, Spain), and characterized at Ciemat (Madrid, Spain). Electrical conductivity was measured as a function of temperature before and after irradiation with 1.8 MeV electrons in the Ciemat HVEC Van de Graaff accelerator up to 140 MGy (~ 2·10 -5 dpa). Radiation-induced conductivity (RIC) was also examined during irradiation at 550 ºC for different dose rates (from 0.5 to 5 kGy/s). Although no significant RIC was found in general for any of the samples, electrical conductivity increase with irradiation dose was observed to occur for some compositions with a linear tendency. However, first results indicate enhanced radiation resistance for coated samples. Preliminary thermogravimetric tests of selected samples, together with posterior XRD analysis allowed interpret radiation-induced modification of the electrical conductivity in terms of changes in the SiC crystalline structure. Further analysis is needed in order to confirm this.

Keywords: DCLL blanket, electrical conductivity, flow channel insert, porous SiC, radiation damage, thermal stability

Procedia PDF Downloads 191
3841 Ethnobotanical Study of Medicinal Plants of Leguminosae in Kantharalak Community Forest, Si Sa Ket Province, Thailand

Authors: W. Promprom, W. Chatan

Abstract:

Leguminosae is a large plant family and its members are important for local people utilization in the Northeast of Thailand. This research aimed to survey medicinal plants in this family in Kantharalak Community forest. The plant collection and exploration were made from October 2017 to September 2018. Folk medicinal uses were studied by interviewing villagers and folk medicine healers living around the community forest by asking about local names, using parts, preparation and properties. The results showed that 65 species belonging to 40 genera were found. Among these, 30 species were medicinal plant. The most used plant parts were leaf. Decoction and drinking were mostly preparation method and administration mode used. All medicinal plants could be categorized into 17 diseases/symptoms. Most plant (56.66%) were used for fever. The voucher specimens were deposited in Department of Biology, Faculty of Science, Mahasarakham University, Thailand. Therefore, the data from this study might be widely used by the local area and further scientific study.

Keywords: ethnobotany, ethnophamacology, medicinal plant, taxonomy, utilization

Procedia PDF Downloads 141
3840 Numerical Simulation of the Bond Behavior Between Concrete and Steel Reinforcing Bars in Specialty Concrete

Authors: Camille A. Issa, Omar Masri

Abstract:

In the study, the commercial finite element software Abaqus was used to develop a three-dimensional nonlinear finite element model capable of simulating the pull-out test of reinforcing bars from underwater concrete. The results of thirty-two pull-out tests that have different parameters were implemented in the software to study the effect of the concrete cover, the bar size, the use of stirrups, and the compressive strength of concrete. The interaction properties used in the model provided accurate results in comparison with the experimental bond-slip results, thus the model has successfully simulated the pull-out test. The results of the finite element model are used to better understand and visualize the distribution of stresses in each component of the model, and to study the effect of the various parameters used in this study including the role of the stirrups in preventing the stress from reaching to the sides of the specimens.

Keywords: pull-out test, bond strength, underwater concrete, nonlinear finite element analysis, abaqus

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3839 Effect of Alloying Elements and Hot Forging/Rolling Reduction Ratio on Hardness and Impact Toughness of Heat Treated Low Alloy Steels

Authors: Mahmoud M. Tash

Abstract:

The present study was carried out to investigate the effect of alloying elements and thermo-mechanical treatment (TMT) i.e. hot rolling and forging with different reduction ratios on the hardness (HV) and impact toughness (J) of heat-treated low alloy steels. An understanding of the combined effect of TMT and alloying elements and by measuring hardness, impact toughness, resulting from different heat treatment following TMT of the low alloy steels, it is possible to determine which conditions yielded optimum mechanical properties and high strength to weight ratio. Experimental Correlations between hot work reduction ratio, hardness and impact toughness for thermo-mechanically heat treated low alloy steels are analyzed quantitatively, and both regression and mathematical hardness and impact toughness models are developed.

Keywords: hot forging, hot rolling, heat treatment, hardness (HV), impact toughness (J), microstructure, low alloy steels

Procedia PDF Downloads 500
3838 A Comparison of Double Sided Friction Stir Welding in Air and Underwater for 6mm S275 Steel Plate

Authors: Philip Baillie, Stuart W. Campbell, Alexander M. Galloway, Stephen R. Cater, Norman A. McPherson

Abstract:

This study compared the mechanical and microstructural properties produced during friction stir welding(FSW) of S275 structural steel in air and underwater. Post weld tests assessed the tensile strength, micro-hardness, distortion, Charpy impact toughness and fatigue performance in each case. The study showed that there was no significant difference in the strength, hardness or fatigue life of the air and underwater specimens. However, Charpy impact toughness was shown to decrease for the underwater specimens and was attributed to a lower degree of recrystallization caused by the higher rate of heat loss experienced when welding underwater. Reduced angular and longitudinal distortion was observed in the underwater welded plate compared to the plate welded in air.

Keywords: Charpy impact toughness, distortion, fatigue, friction stir welding(FSW), micro-hardness, underwater

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3837 Study of Intermolecular Interactions in Binary Mixtures of 1-Butyl-3-Methyl Imidazolium Bis (Trifluoro Methyl Sulfonyl) Imide and 1-Ethyl-3-Methyl Imidazolium Ethyl Sulphate at Different Temperature from 293.18 to 342.15 K

Authors: V. Lokesh, M. Manjunathan, S. Sairam, K. Saithsh Kumar, R. Anantharaj

Abstract:

The densities of pure and its binary mixtures of 1-Butyl-3-methyl imidazolium bis (trifluoro methyl sulfonyl) imide and 1–Ethyl-3-methyl imidazolium ethyl sulphate at different temperature, over the entire composition range were measured at 293.15, 298.15, 303.15, 308.15, 313.15, 318.15, 323.15, 328.15, 33.15, 338.15, 343.15 K. In this study, the liquid-liquid extraction procedure was used. From this experimental data, the excess molar volumes, apparent molar volume, partial molar volumes and the excess partial molar volumes have been calculated for over the whole composition range. Hence, the effect of temperature and composition on all derived thermodynamic properties of this binary mixture will be discussed in terms of intermolecular interactions.

Keywords: ionic liquid, interaction energy, effect of temperature, effect of composition

Procedia PDF Downloads 159
3836 Yeasts Associated to Spontaneous Date Vinegar Process

Authors: F. Halladj, H. Amellal, S. Benamara

Abstract:

Current consumer trends go towards natural products defined as the products obtained by a traditional manufacturing method. Vinegar is one of those products marketed; it may be industrially obtained by a submerged (fast) or traditional (slow) processes. The latter exhibited a high quality because of its complex microbiological transformations (or two-stage fermentation) by the native must flora. Moreover, although that Acetic acid bacteria have traditionally been considered to play the leading role in vinegar production, some studies have recently highlighted that also yeasts metabolism can affect traditional vinegar chemical properties in a remarkable way. Thus, the aim of this study was to monitor a traditional slow process of vinegar as applied in the south of Algeria using date with hard texture (Degla-Beida variety) to isolate and identify the involved yeasts in order to select them as starter culture. Phenotypic and molecular analysis show that the non-Saccharomyces were the main yeasts species isolated throughout the alcoholic spontaneous fermentation and they included Hanseniaspora guilliermondii and Torulaspora delbrueckii.

Keywords: date vinegar, traditional production, yeasts, Phenotypic, Algeria

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3835 Runtime Monitoring Using Policy-Based Approach to Control Information Flow for Mobile Apps

Authors: Mohamed Sarrab, Hadj Bourdoucen

Abstract:

Mobile applications are verified to check the correctness or evaluated to check the performance with respect to specific security properties such as availability, integrity, and confidentiality. Where they are made available to the end users of the mobile application is achievable only to a limited degree using software engineering static verification techniques. The more sensitive the information, such as credit card data, personal medical information or personal emails being processed by mobile application, the more important it is to ensure the confidentiality of this information. Monitoring non-trusted mobile application during execution in an environment where sensitive information is present is difficult and unnerving. The paper addresses the issue of monitoring and controlling the flow of confidential information during non-trusted mobile application execution. The approach concentrates on providing a dynamic and usable information security solution by interacting with the mobile users during the run-time of mobile application in response to information flow events.

Keywords: mobile application, run-time verification, usable security, direct information flow

Procedia PDF Downloads 366
3834 Localising Gauss’s Law and the Electric Charge Induction on a Conducting Sphere

Authors: Sirapat Lookrak, Anol Paisal

Abstract:

Space debris has numerous manifestations, including ferro-metalize and non-ferrous. The electric field will induce negative charges to split from positive charges inside the space debris. In this research, we focus only on conducting materials. The assumption is that the electric charge density of a conducting surface is proportional to the electric field on that surface due to Gauss's Law. We are trying to find the induced charge density from an external electric field perpendicular to a conducting spherical surface. An object is a sphere on which the external electric field is not uniform. The electric field is, therefore, considered locally. The localised spherical surface is a tangent plane, so the Gaussian surface is a very small cylinder, and every point on a spherical surface has its own cylinder. The electric field from a circular electrode has been calculated in near-field and far-field approximation and shown Explanation Touchless maneuvering space debris orbit properties. The electric charge density calculation from a near-field and far-field approximation is done.

Keywords: near-field approximation, far-field approximation, localized Gauss’s law, electric charge density

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3833 Apparent Ageing Mechanism of Polyurethane Coating in Typical Atmospheric Environment

Authors: Jin Gao, Jin Zhang, Xiaogang Li

Abstract:

Outdoor exposure experiments were conducted in three extreme environments, namely the Chinese plateau mountain environment (Lhasa), the cold–temperate environment (Mohe), and the marine atmospheric environment (Wanning), to track a new long-life environment-friendly polyurethane coating. The relationship between apparent properties, namely gloss and microstructural changes, was analyzed, and the influence of typical climatic environment on the aging mechanism of polyurethane coatings was discussed. Results show that the UV radiation in the Lhasa area causes photoaging degradation, micropores are formed on the coating surface, and the powdering phenomenon is obvious. Photodegradation occurs in the Wanning area, and a hydrolysis reaction is observed. The hydrolysis reaction catalyzes the photoaging, the coating surface becomes yellow, and the powdering becomes serious. Photoaging is also present in the Mohe area, but it is mainly due to temperature changes that in turn change the internal stress of the coating. Microcracks and bumps form on the coating surface.

Keywords: aging, atmospheric environment, outdoor exposure, polyurethane coating

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3832 Preparation and Characterization of Cellulose Based Antimicrobial Food Packaging Materials

Authors: Memet Vezir Kahraman, Ferhat Sen

Abstract:

This study aimed to develop polyelectrolyte structured antimicrobial food packaging materials that do not contain any antimicrobial agents. Cationic hydroxyethyl cellulose was synthesized and characterized by Fourier Transform Infrared, carbon and proton Nuclear Magnetic Resonance spectroscopy. Its nitrogen content was determined by the Kjeldahl method. Polyelectrolyte structured antimicrobial food packaging materials were prepared using hydroxyethyl cellulose, cationic hydroxyethyl cellulose, and sodium alginate. Antimicrobial activity of materials was defined by inhibition zone method (disc diffusion method). Thermal stability of samples was evaluated by thermal gravimetric analysis and differential scanning calorimetry. Surface morphology of samples was investigated by scanning electron microscope. The obtained results prove that produced food packaging materials have good thermal and antimicrobial properties, and they can be used as food packaging material in many industries.

Keywords: antimicrobial food packaging, cationic hydroxyethyl cellulose, polyelectrolyte, sodium alginate

Procedia PDF Downloads 147
3831 Electrochemical Performance of Carbon Nanotube Based Supercapacitor

Authors: Jafar Khan Kasi, Ajab Khan Kasi, Muzamil Bokhari

Abstract:

Carbon nanotube is one of the most attractive materials for the potential applications of nanotechnology due to its excellent mechanical, thermal, electrical and optical properties. In this paper we report a supercapacitor made of nickel foil electrodes, coated with multiwall carbon nanotubes (MWCNTs) thin film using electrophoretic deposition (EPD) method. Chemical vapor deposition method was used for the growth of MWCNTs and ethanol was used as a hydrocarbon source. High graphitic multiwall carbon nanotube was found at 750 C analyzing by Raman spectroscopy. We observed the electrochemical performance of supercapacitor by cyclic voltammetry. The electrodes of supercapacitor fabricated from MWCNTs exhibit considerably small equivalent series resistance (ESR), and a high specific power density. Electrophoretic deposition is an easy method in fabricating MWCNT electrodes for high performance supercapacitor.

Keywords: carbon nanotube, chemical vapor deposition, catalyst, charge, cyclic voltammetry

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3830 Residual Stress Around Embedded Particles in Bulk YBa2Cu3Oy Samples

Authors: Anjela Koblischka-Veneva, Michael R. Koblischka

Abstract:

To increase the flux pinning performance of bulk YBa2Cu3O7-δ (YBCO or Y-123) superconductors, it is common to employ secondary phase particles, either Y2BaCuO5 (Y-211) particles created during the growth of the samples or additionally added (nano)particles of various types, embedded in the superconducting Y-123 matrix. As the crystallographic parameters of all the particles indicate a misfit to Y-123, there will be residual strain within the Y-123 matrix around such particles. With a dedicated analysis of electron backscatter diffraction (EBSD) data obtained on various bulk, Y-123 superconductor samples, the strain distribution around such embedded secondary phase particles can be revealed. The results obtained are presented in form of Kernel Average Misorientation (KAM) mappings. Around large Y-211 particles, the strain can be so large that YBCO subgrains are formed. Therefore, it is essential to properly control the particle size as well as their distribution within the bulk sample to obtain the best performance. The impact of the strain distribution on the flux pinning properties is discussed.

Keywords: Bulk superconductors, EBSD, Strain, YBa2Cu3Oy

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3829 An Investigation Into an Essential Property of Creativity, Which Is the First-Person Experience

Authors: Ukpaka Paschal

Abstract:

Margret Boden argues that a creative product is one that is new, surprising, and valuable as a result of the combination, exploration, or transformation involved in producing it. Boden uses examples of artificial intelligence systems that fit all of these criteria and argues that real creativity involves autonomy, intentionality, valuation, emotion, and consciousness. This paper provides an analysis of all these elements in order to try to understand whether they are sufficient to account for creativity, especially human creativity. This paper focuses on Generative Adversarial Networks (GANs), which is a class of artificial intelligence algorithms that are said to have disproved the common perception that creativity is something that only humans possess. This paper will then argue that Boden’s listed properties of creativity, which capture the creativity exhibited by GANs, are not sufficient to account for human creativity, and this paper will further identify “first-person phenomenological experience” as an essential property of human creativity. The rationale behind the proposed essential property is that if creativity involves comprehending our experience of the world around us into a form of self-expression, then our experience of the world really matters with regard to creativity.

Keywords: artificial intelligence, creativity, GANs, first-person experience

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3828 Optical Properties of N-(Hydroxymethyl) Acrylamide Polymer Gel Dosimeters for Radiation Therapy

Authors: Khalid A. Rabaeh, Belal Moftah, Ahmed A. Basfar, Akram A. Almousa

Abstract:

Polymer gel dosimeters are tissue equivalent martial that fabricated from radiation sensitive chemicals which, upon irradiation, polymerize as a function of absorbed radiation dose. Polymer gel dosimeters can uniquely record the radiation dose distribution in three-dimensions (3D). A novel composition of normoxic polymer gel dosimeters based on radiation-induced polymerization of N-(Hydroxymethyl)acrylamide (NHMA) is introduced in this study for radiotherapy treatment planning. The dosimeters were irradiated by 10 MV photon beam of a medical linear accelerator at a constant dose rate of 600 cGy/min with doses up to 30 Gy. The polymerization degree is directly proportional to absorbed dose received by the polymer gel. UV/Vis spectrophotometer was used to investigate the degree of white color of irradiated NHMA gel which is associated to the degree of polymerization of polymer gel dosimeters. The absorbance increases with absorbed dose for all gel dosimeters in the dose range between 0 and 30 Gy. Dose rate , energy of radiation and the stability of the polymerization after irradiation were investigated. No appreciable effects of these parameters on the performance of the novel gel dosimeters were observed.

Keywords: dosimeter, gel, spectrophotometer, N-(Hydroxymethyl)acrylamide

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3827 An Efficient Collocation Method for Solving the Variable-Order Time-Fractional Partial Differential Equations Arising from the Physical Phenomenon

Authors: Haniye Dehestani, Yadollah Ordokhani

Abstract:

In this work, we present an efficient approach for solving variable-order time-fractional partial differential equations, which are based on Legendre and Laguerre polynomials. First, we introduced the pseudo-operational matrices of integer and variable fractional order of integration by use of some properties of Riemann-Liouville fractional integral. Then, applied together with collocation method and Legendre-Laguerre functions for solving variable-order time-fractional partial differential equations. Also, an estimation of the error is presented. At last, we investigate numerical examples which arise in physics to demonstrate the accuracy of the present method. In comparison results obtained by the present method with the exact solution and the other methods reveals that the method is very effective.

Keywords: collocation method, fractional partial differential equations, legendre-laguerre functions, pseudo-operational matrix of integration

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3826 The Concept of Community Participation and Identified Tertiary Education Problems, Strategies and Methods

Authors: Ada Adoga James

Abstract:

This paper discussed the concept of community participation and identified tertiary education problems; strategies and methods communities could be involved to reduce conflict witnessed in our tertiary institutions of learning due to government inability to fund education. The paper pointed out that community participation through the use of Parent Teachers Association (PTA), age grade, traditional leaders, village based associations, religious and political organs could be sensitized to raise financial resources. The paper identified different sources of conflicts, the outcome of which causes prolonged academic activities, destruction of lives and properties and in some cased render school environment completely insecure for serious academic activities. It recommends involvement of community participation in assisting government, proper handling of tertiary institutions in management, and more democratic procedure in conflict resolution like cordial relationship between staff, students and trade unions in decision making process.

Keywords: community, conflict resolution, tertiary education, psychology, psychiatry

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3825 High-Fidelity Materials Screening with a Multi-Fidelity Graph Neural Network and Semi-Supervised Learning

Authors: Akeel A. Shah, Tong Zhang

Abstract:

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

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

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3824 Experimental Investigation and Hardness Analysis of Chromoly Steel Multipass Welds Using GMAW

Authors: S. Ramesh, A. S. Sasiraaju, K. Sidhaarth, N. Sudhan Rajkumar, V. Manivel Muralidaran

Abstract:

This work presents the result of investigations aimed at determining the hardness of the welded Chromoly (A 4130) steel plate of 2” thickness. Multi pass welding for the thick sections was carried out and analyzed for the Chromoly alloy steel plates. The study of hardness at the weld metal reveals that there is the presence of different micro structure products which yields diverse properties. The welding carried out using GMAW with ER70s-2 electrode. Single V groove design was selected for the butt joint configuration. The presence of hydrogen has been suppressed by selecting low hydrogen electrode. Preheating of the plate prior to welding reduces the cooling rate which also affects the weld metal microstructure. The shielding gas composition used in this analysis is 80% Ar-20% CO2. The experimental analysis gives the detailed study of the hardness of the material.

Keywords: chromoly, gas metal arc weld (GMAW), hardness, multi pass weld, shielding gas composition

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3823 Atomic Clusters: A Unique Building Motif for Future Smart Nanomaterials

Authors: Debesh R. Roy

Abstract:

The fundamental issue in understanding the origin and growth mechanism of nanomaterials, from a fundamental unit is a big challenging problem to the scientists. Recently, an immense attention is generated to the researchers for prediction of exceptionally stable atomic cluster units as the building units for future smart materials. The present study is a systematic investigation on the stability and electronic properties of a series of bimetallic (semiconductor-alkaline earth) clusters, viz., BxMg3 (x=1-5) is performed, in search for exceptional and/ or unusual stable motifs. A very popular hybrid exchange-correlation functional, B3LYP as proposed by A. D. Becke along with a higher basis set, viz., 6-31+G[d,p] is employed for this purpose under the density functional formalism. The magic stability among the concerned clusters is explained using the jellium model. It is evident from the present study that the magic stability of B4Mg3 cluster arises due to the jellium shell closure.

Keywords: atomic clusters, density functional theory, jellium model, magic clusters, smart nanomaterials

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3822 Surface Nanocrystalline and Hardening Effects of Ti–Al–V Alloy by Electropulsing Ultrasonic Shock

Authors: Xiaoxin Ye, Guoyi Tang

Abstract:

The effect of electropulsing ultrasonic shock (EUS) on the surface hardening and microstructure of Ti6Al4V alloy was studied. It was found that electropulsing improved the microhardness dramatically both in the influential depth and maximum value, compared with the only ultrasonic-shocked sample. It’s indicated that refined surface layer with nanocrystalline and improved microhardness were obtained on account of surface severe plastic deformation, dynamic recrystallization (DRX) and phase change, which was implemented at relative low temperature and high strain rate/capacity due to the coupling of the thermal and athermal effects of EUS. It’s different from conventional experiments and theory. It’s discussed that the positive contributions of EPT in the thermodynamics and kinetics of microstructure and properties change were attributed to the reduction of nucleation energy barrier and acceleration of atomic diffusion. Therefore, it’s supposed that EUS is an energy-saving and high-efficiency method of surface treatment technique with the help of high-energy electropulses, which is promising in cost reduction of the surface engineering and energy management.

Keywords: titanium alloys, electropulsing, ultrasonic shock, microhardness, nanocrystalline

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3821 Comparative Study of Soliton Collisions in Uniform and Nonuniform Magnetized Plasma

Authors: Renu Tomar, Hitendra K. Malik, Raj P. Dahiya

Abstract:

Similar to the sound waves in air, plasmas support the propagation of ion waves, which evolve into the solitary structures when the effect of non linearity and dispersion are balanced. The ion acoustic solitary waves have been investigated in details in homogeneous plasmas, inhomogeneous plasmas, and magnetized plasmas. The ion acoustic solitary waves are also found to reflect from a density gradient or boundary present in the plasma after propagating. Another interesting feature of the solitary waves is their collision. In the present work, we carry out analytical calculations for the head-on collision of solitary waves in a magnetized plasma which has dust grains in addition to the ions and electrons. For this, we employ Poincar´e-Lighthill-Kuo (PLK) method. To lowest nonlinear order, the problem of colliding solitary waves leads to KdV (modified KdV) equations and also yields the phase shifts that occur in the interaction. These calculations are accomplished for the uniform and nonuniform plasmas, and the results on the soliton properties are discussed in detail.

Keywords: inhomogeneous magnetized plasma, dust charging, soliton collisions, magnetized plasma

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3820 Development of a Bacterial Resistant Concrete for Use in Low Cost Kitchen Floors

Authors: S. S. Mahlangu, R. K. K. Mbaya, D. D. Delport, H. Van. Zyl

Abstract:

The degrading effect due to bacterial growth on the structural integrity of concrete floor surfaces is predictable; this consequently cause development of surface micro cracks in which organisms penetrate through resulting in surface spalling. Hence, the need to develop mix design meeting the requirement of floor surfaces exposed to aggressive agent to improve certain material properties with good workability, extended lifespan and low cost is essential. In this work, tests were performed to examine the microbial activity on kitchen floor surfaces and the effect of adding admixtures. The biochemical test shows the existence of microorganisms (E.coli, Streptococcus) on newly casted structure. Of up to 6% porosity was reduced and improvement on structural integrity was observed upon adding mineral admixtures from the concrete mortar. The SEM result after 84 days of curing specimens, shows that chemical admixtures have significant role to enable retard bacterial penetration and good quality structure is achieved.

Keywords: admixture, organisms, porosity, strength

Procedia PDF Downloads 224
3819 Effects of the Flow Direction on the Fluid Flow and Heat Transfer in the Rod Bundle

Authors: Huirui Han, Chao Zhang

Abstract:

The rod bundle is used in the fuel assembly of the supercritical water-cooled nuclear reactor. In the rod bundle, the coolant absorbs the heat contributed by the fission process. Because of the dramatic variations in the thermophysical properties of water at supercritical conditions, it is essential to investigate the heat transfer characteristics of supercritical water in the rod bundle to ensure the safety of the nuclear power plant. In this study, the effects of the flow direction, including horizontal, upward, and downward, on the fluid flow and heat transfer of the supercritical water in the rod bundle were studied numerically. The results show the possibility of gap vortices in the flow subchannels of the rod bundle. In addition, the distributions of the circumferential wall temperature show differences in different flow direction conditions. It was also found that the circumferential cladding surface temperature distribution in the upward flow condition is extremely non-uniform, and there is a large difference between the maximum wall temperatures for different fuel rods.

Keywords: heat transfer, rod bundle, supercritical water, wall temperature

Procedia PDF Downloads 90
3818 Comparison of Physico-Mechanical Properties of Superplasticizer Stabilized Graphene Oxide and Carbon Nanotubes Reinforced Cement Nanocomposites

Authors: Ramanjit Kaur, N. C. Kothiyal

Abstract:

The present study compares the improved mechanical strength of cement mortar nanocomposites (CNCs) using polycarboxylate superplasticizer (PCE-SP) stabilized graphene oxide or functionalized carbon nanotubes (SP-GO and SP-FCNT) as reinforcing agents. So, in the present study, GO, and FCNT have been sterically stabilized via superplasticizer. The obtained results have shown that a dosage of 0.02 wt% of SP-GO and 0.08 wt% of SP-FCNTs showed an improvement in compressive strength by 23.2% and 16.5%, respectively. On the other hand, incorporation of 0.04% SP-GO and SP-FCNT resulted in an enhanced split tensile strength of 38.5% and 35.8%, respectively, as compared to the control sample at 90 days of curing. Mercury Intrusion Porosimetry (MIP) observations presented a decline in the porosity of 0.02% SP-GO-CNCs and 0.08% SP-FCNT-CNCs by 25% and 31% in comparison to the control sample. The improved hydration of CNCs contributing to the enhancement of physicomechanical strength has also been shown by SEM and XRD studies.

Keywords: graphene oxide, functionalized CNTs, steric stabilization, microstructure, crystalline behavior, pore structure refinement

Procedia PDF Downloads 91
3817 Spatial Variability of Soil Pollution and Health Risks Due to Long-Term Wastewater Irrigation in Egypt

Authors: Mohamed Eladham Fadl M. E. Fadl

Abstract:

In Egypt, wastewater has been used for irrigation in areas with fresh water scarcity. However, continuous applications may cause potential risks. Thus, the current study aims at screening the impacts of long-term wastewater irrigation on soil pollution and human health due to the exposure of heavy metals. Soils of nine sites in Al-Qalyubiyah Governorate, Egypt were sampled and analyzed for different properties. Wastewater resulted in a build-up of metals in soils. The pollution index (PI) showed the order of Cd > Pb > Ni > Zn. The integrated pollution index of Nemerow’s (IPIN) exceeded the safe limit of 0.7. The enrichment factor (EF) surpassed 1.0 value proving anthropogenic effects. The geo-accumulation index (Igeo) indicated that Pb, Ni, and Zn-induced none to moderate pollution, while high threats were associated with Cd. The calculated hazard index proved a potential health risk for humans, particularly children. It is recommended to perform a treatment to the wastewater used in irrigation to avoid such threats.

Keywords: pollution, health risks, heavy metals, effluent, irrigation, GIS techniques

Procedia PDF Downloads 325