Search results for: internal temperature
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9041

Search results for: internal temperature

1961 Electrodeposition and Selenization of Cuin Alloys for the Synthesis of Photoactive Cu2in1-X Gax Se2 (Cigs) Thin Films

Authors: Mohamed Benaicha, Mahdi Allam

Abstract:

A new two stage electrochemical process as a safe, large area and low processing cost technique for the production of semi-conducting CuInSe2 (CIS) thin films is studied. CuIn precursors were first potentiostatically electrodeposited onto molybdenum substrates from an acidic thiocyanate electrolyte. In a second stage, the prepared metallic CuIn layers were used as substrate in the selenium electrochemical deposition system and subjected to a thermal treatment in vacuum atmosphere, to eliminate binary phase formation by reaction of the Cu2-x Se and InxSey selenides, leading to the formation of CuInSe2 thin film. Electrochemical selenization from aqueous electrolyte is introduced as an alternative to toxic and hazardous H2Se or Se vapor phase selenization used in physical techniques. In this study, the influence of film deposition parameters such as bath composition, temperature and potential on film properties was studied. The electrochemical, morphological, structural and compositional properties of electrodeposited thin films were characterized using various techniques. Results of Cyclic and Stripping-Cyclic Voltammetry (CV, SCV), Scanning Electron Microscopy (SEM) and Energy Dispersive X-Ray microanalysis (EDX) investigations revealed good reproducibility and homogeneity of the film composition. Thereby optimal technological parameters for the electrochemical production of CuIn, Se as precursors for CuInSe2 thin layers are determined.

Keywords: photovoltaic, CIGS, copper alloys, electrodeposition, thin films

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1960 An Investigation of Rainfall Changes in KanganCity During Years 1964 to 2003

Authors: Borzou Faramarzi, Farideh Azimi, Azam Gohardoust, Abbas Ghasemi Ghasemvand, Maryam Mirzaei, Mandana Amani

Abstract:

In this study, attempts were made to examine and analyze the trend for rainfall changes in Kangan City, Booshehr Province, during the time span 1964 to 2003, using seven rainfall threshold indices based on 50 climate extremes indices approved by WMO–CCL/CLIVAR. These indices include days with heavy precipitations, days with rainfalls, frequency of rainfall threshold values, intensity of rainfall threshold values, percentage of rainfall threshold values, successive days of rainfall, and successive days with no precipitation. Results are indicative of the fact that Kangan City climatic conditions have become more dried than before. Indices days with heavy precipitations and days with rainfalls do not show a certain trend in Kangan City. Frequency, intensity, and percentage of rainfall threshold values in the station under investigation do not indicate a certain trend. In analysis of time series of rainfall extreme indices, generally, it was revealed that Kangan City is influenced by general factors of global warming. Calculation of values for the next 10 years based on ARIMA models demonstrates a continuation of warming trends in Kangan City. On the whole, rainfall conditions in Kangan City have experienced more dry periods compared to the past, the trend which is also observable for next 10 years.

Keywords: climatic indices, climate change, extreme temperature and precipitation, time series

Procedia PDF Downloads 255
1959 Evaluation of Water Chemistry and Quality Characteristics of Işıklı Lake, Denizli, Türkiye

Authors: Abdullah Ay, Şehnaz Şener

Abstract:

It is of great importance to reveal their current status and conduct research in this direction for the sustainable use and protection of lakes, which are among the most important water resources for meeting water needs and ensuring ecological balance. In this context, the purpose of this study is to determine the hydrogeochemical properties, as well as water quality and usability characteristics of Işıklı Lake within the Lakes Region of Turkey. Işıklı Lake is a tectonic lake located in the Aegean Region of Turkey. The lake has a surface area of approximately 36 km². Temperature (T), electrical conductivity (EC) and hydrogen ion concentration (pH), dissolved oxygen (%, mg/l), Oxidation Reduction Potential (ORP; mV) and amount of dissolved solids in water (TDS; mg) of water samples taken from the lake. /l) values were determined by in situ analysis. Major ion and heavy metal analysis were carried out under laboratory conditions. According to the results obtained, it is seen that especially Mg, Ca and HCO₃ ions are dominant in the lake water, and it has been determined that the lake water is in the Ca-Mg-HCO₃ water facies. Although the waters are generally in water quality class I, they are in class IV in terms of sulfur and aluminum. It is included in the water quality class. This situation is due to the rock-water interaction in the region. When the analysis results of the lake water were compared with the drinking water limit values specified by TSE-266 (2005) and WHO (2017), it was determined that it was not suitable for drinking water use in terms of Pb, Se, As, and Cr. When the waters were evaluated in terms of pollution, it was determined that 50% of the samples carried pollution loads in terms of Al, As, Fe, NO₃, and Cu.

Keywords: Işıklı Lake, water chemistry, water quality, pollution, arsenic, Denizli

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1958 Journal Bearing with Controllable Radial Clearance, Design and Analysis

Authors: Majid Rashidi, Shahrbanoo Farkhondeh Biabnavi

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The hydrodynamic instability phenomenon in a journal bearing may occur by either a reduction in the load carried by journal bearing, by an increase in the journal speed, by change in the lubricant viscosity, or a combination of these factors. The previous research and development work done to overcome the instability issue of journal bearings, operating in hydrodynamic lubricate regime, can be categorized as follows: A) Actively controlling the bearing sleeve by using piezo actuator, b) Inclusion of strategically located and shaped internal grooves within inner surface of the bearing sleeve, c) Actively controlling the bearing sleeve using an electromagnetic actuator, d)Actively and externally pressurizing the lubricant within a journal bearing set, and e)Incorporating tilting pads within the inner surface of the bearing sleeve that assume different equilibrium angular position in response to changes in the bearing design parameter such as speed and load. This work presents an innovative design concept for a 'smart journal bearing' set to operate in a stable hydrodynamic lubrication regime, despite variations in bearing speed, load, and its lubricant viscosity. The proposed bearing design allows adjusting its radial clearance for an attempt to maintain a stable bearing operation under those conditions that may cause instability for a bearing with a fixed radial clearance. The design concept allows adjusting the radial clearance at small increments in the order of 0.00254 mm. This is achieved by axially moving two symmetric conical rigid cavities that are in close contact with the conically shaped outer shell of a sleeve bearing. The proposed work includes a 3D model of the bearing that depicts the structural interactions of the bearing components. The 3D model is employed to conduct finite element Analyses to simulate the mechanical behavior of the bearing from a structural point of view. The concept of controlling of the radial clearance, as presented in this work, is original and has not been proposed and discuss in previous research. A typical journal bearing was analyzed under a set of design parameters, namely r =1.27 cm (journal radius), c = 0.0254 mm (radial clearance), L=1.27 cm (bearing length), w = 445N (bearing load), μ = 0.028 Pascale (lubricant viscosity). A shaft speed as 3600 r.p.m was considered, and the mass supported by the bearing, m, is set to be 4.38kg. The Summerfield Number associated with the above bearing design parameters turn to be, S=0.3. These combinations resulted in stable bearing operation. Subsequently, the speed was postulated to increase from 3600 r.p.mto 7200 r.p.m; the bearing was found to be unstable under the new increased speed. In order to regain stability, the radial clearance was increased from c = 0.0254 mm to0.0358mm. The change in the radial clearance was shown to bring the bearing back to stable an operating condition.

Keywords: adjustable clearance, bearing, hydrodynamic, instability, journal

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1957 Removal of Heavy Metals Pb, Zn and Cu from Sludge Waste of Paper Industries Using Biosurfactant

Authors: Nurul Hidayati

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Increasing public awareness of environmental pollution influences the search and development of technologies that help in clean up of organic and inorganic contaminants such as metals. Sludge waste of paper industries as toxic and hazardous material from specific source contains Pb, Zn, and Cu metal from waste soluble ink. An alternative and eco-friendly method of remediation technology is the use of biosurfactants and biosurfactant-producing microorganisms. Soil washing is among the methods available to remove heavy metal from sediments. The purpose of this research is to study effectiveness of biosurfactant with concentration = CMC for the removal of heavy metals, lead, zinc and copper in batch washing test under four different biosurfactant production by microbial origin. Pseudomonas putida T1(8), Bacillus subtilis 3K, Acinetobacter sp, and Actinobacillus sp was grown on mineral salt medium that had been already added with 2% concentration of molasses that it is a low cost application. The samples were kept in a shaker 120 rpm at room temperature for 3 days. Supernatants and sediments of sludge were separated by using a centrifuge and samples from supernatants were measured by atomic absorption spectrophotometer. The highest removal of Pb was up to 14,04% by Acinetobacter sp. Biosurfactant of Pseudomonas putida T1(8) have the highest removal for Zn and Cu up to 6,5% and 2,01% respectively. Biosurfactants have a role for removal process of the metals, including wetting, contact of biosurfactant to the surface of the sediments and detachment of the metals from the sediment. Biosurfactant has proven its ability as a washing agent in heavy metals removal from sediments, but more research is needed to optimize the process of removal heavy metals.

Keywords: biosurfactant, removal of heavy metals, sludge waste, paper industries

Procedia PDF Downloads 309
1956 Artificial Intelligence-Based Thermal Management of Battery System for Electric Vehicles

Authors: Raghunandan Gurumurthy, Aricson Pereira, Sandeep Patil

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The escalating adoption of electric vehicles (EVs) across the globe has underscored the critical importance of advancing battery system technologies. This has catalyzed a shift towards the design and development of battery systems that not only exhibit higher energy efficiency but also boast enhanced thermal performance and sophisticated multi-material enclosures. A significant leap in this domain has been the incorporation of simulation-based design optimization for battery packs and Battery Management Systems (BMS), a move further enriched by integrating artificial intelligence/machine learning (AI/ML) approaches. These strategies are pivotal in refining the design, manufacturing, and operational processes for electric vehicles and energy storage systems. By leveraging AI/ML, stakeholders can now predict battery performance metrics—such as State of Health, State of Charge, and State of Power—with unprecedented accuracy. Furthermore, as Li-ion batteries (LIBs) become more prevalent in urban settings, the imperative for bolstering thermal and fire resilience has intensified. This has propelled Battery Thermal Management Systems (BTMs) to the forefront of energy storage research, highlighting the role of machine learning and AI not just as tools for enhanced safety management through accurate temperature forecasts and diagnostics but also as indispensable allies in the early detection and warning of potential battery fires.

Keywords: electric vehicles, battery thermal management, industrial engineering, machine learning, artificial intelligence, manufacturing

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1955 Refinement of Thermal and Mechanical Properties of Poly (Lactic Acid)/Poly (Ethylene-Co-Glycidyle Methacrylate)/ Hexagonal Boron Nitride Blend-Composites through Electron-Beam Irradiation

Authors: Ashish Kumar, T. Venkatappa Rao, Subhendu Ray Chowdhury, S. V. S. Ramana Reddy

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The main objective of this work is to determine the influence of electron beam irradiation on thermal and mechanical properties of Poly (lactic acid) (PLA)/Poly (ethylene-co-glycidyle methacrylate) (PEGM)/Hexagonal boron nitride (HBN) blend-composites. To reduce the brittleness and improve the toughness of PLA, the PLA/PEGM blend is prepared by using twin-screw Micro compounder. However, the heat deflection temperature (HDT) and other tensile properties were reduced. The HBN has been incorporated into the PLA/PEGM blend as part per hundred i.e. 5 phr and 10phr to improve the HDT. The prepared specimens of blend and blend-composites were irradiated to high energy (4.5 MeV) electron beam (E-beam) at different radiation doses to introduce the cross linking among the polymer chains and uniform dispersion of HBN particles in the PLA/PEGM/HBN blend-composites. The further improvement in the notched impact strength and HDT have been achieved in the case of PLA/PEGM/HBN blend-composites. The irradiated PLA/PEGM/HBN 5phr blend composite shows high notched impact strength and HDT as compared to other unirradiated and E-beam irradiated blend and blend-composites. The improvements in the yield strength and tensile modulus have also been noticed in the case of E-beam irradiated PLA/PEGM/HBN blend-composites as compared to unirradiated blend-composites.

Keywords: blend-composite, e-beam, HDT, PEGM, PLA

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1954 Laboratory Scale Experimental Studies on CO₂ Based Underground Coal Gasification in Context of Clean Coal Technology

Authors: Geeta Kumari, Prabu Vairakannu

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Coal is the largest fossil fuel. In India, around 37 % of coal resources found at a depth of more than 300 meters. In India, more than 70% of electricity production depends on coal. Coal on combustion produces greenhouse and pollutant gases such as CO₂, SOₓ, NOₓ, and H₂S etc. Underground coal gasification (UCG) technology is an efficient and an economic in-situ clean coal technology, which converts these unmineable coals into valuable calorific gases. The UCG syngas (mainly H₂, CO, CH₄ and some lighter hydrocarbons) which can utilized for the production of electricity and manufacturing of various useful chemical feedstock. It is an inherent clean coal technology as it avoids ash disposal, mining, transportation and storage problems. Gasification of underground coal using steam as a gasifying medium is not an easy process because sending superheated steam to deep underground coal leads to major transportation difficulties and cost effective. Therefore, for reducing this problem, we have used CO₂ as a gasifying medium, which is a major greenhouse gas. This paper focus laboratory scale underground coal gasification experiment on a coal block by using CO₂ as a gasifying medium. In the present experiment, first, we inject oxygen for combustion for 1 hour and when the temperature of the zones reached to more than 1000 ºC, and then we started supplying of CO₂ as a gasifying medium. The gasification experiment was performed at an atmospheric pressure of CO₂, and it was found that the amount of CO produced due to Boudouard reaction (C+CO₂  2CO) is around 35%. The experiment conducted to almost 5 hours. The maximum gas composition observed, 35% CO, 22 % H₂, and 11% CH4 with LHV 248.1 kJ/mol at CO₂/O₂ ratio 0.4 by volume.

Keywords: underground coal gasification, clean coal technology, calorific value, syngas

Procedia PDF Downloads 211
1953 Hydrological Evaluation of Satellite Precipitation Products Using IHACRES Rainfall-Runoff Model over a Basin in Iran

Authors: Mahmoud Zakeri Niri, Saber Moazami, Arman Abdollahipour, Hossein Ghalkhani

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The objective of this research is to hydrological evaluation of four widely-used satellite precipitation products named PERSIANN, TMPA-3B42V7, TMPA-3B42RT, and CMORPH over Zarinehrood basin in Iran. For this aim, at first, daily streamflow of Sarough-cahy river of Zarinehrood basin was simulated using IHACRES rainfall-runoff model with daily rain gauge and temperature as input data from 1988 to 2008. Then, the model was calibrated in two different periods through comparison the simulated discharge with the observed one at hydrometric stations. Moreover, in order to evaluate the performance of satellite precipitation products in streamflow simulation, the calibrated model was validated using daily satellite rainfall estimates from the period of 2003 to 2008. The obtained results indicated that TMPA-3B42V7 with CC of 0.69, RMSE of 5.93 mm/day, MAE of 4.76 mm/day, and RBias of -5.39% performs better simulation of streamflow than those PERSIANN and CMORPH over the study area. It is noteworthy that in Iran, the availability of ground measuring station data is very limited because of the sparse density of hydro-meteorological networks. On the other hand, large spatial and temporal variability of precipitations and lack of a reliable and extensive observing system are the most important challenges to rainfall analysis, flood prediction, and other hydrological applications in this country.

Keywords: hydrological evaluation, IHACRES, satellite precipitation product, streamflow simulation

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1952 Sustainability from Ecocity to Ecocampus: An Exploratory Study on Spanish Universities' Water Management

Authors: Leyla A. Sandoval Hamón, Fernando Casani

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Sustainability has been integrated into the cities’ agenda due to the impact that they generate. The dimensions of greater proliferation of sustainability, which are taken as a reference, are economic, social and environmental. Thus, the decisions of management of the sustainable cities search a balance between these dimensions in order to provide environment-friendly alternatives. In this context, urban models (where water consumption, energy consumption, waste production, among others) that have emerged in harmony with the environment, are known as Ecocity. A similar model, but on a smaller scale, is ‘Ecocampus’ that is developed in universities (considered ‘small cities’ due to its complex structure). So, sustainable practices are being implemented in the management of university campus activities, following different relevant lines of work. The universities have a strategic role in society, and their activities can strengthen policies, strategies, and measures of sustainability, both internal and external to the organization. Because of their mission in knowledge creation and transfer, these institutions can promote and disseminate more advanced activities in sustainability. This model replica also implies challenges in the sustainable management of water, energy, waste, transportation, among others, inside the campus. The challenge that this paper focuses on is the water management, taking into account that the universities consume big amounts of this resource. The purpose of this paper is to analyze the sustainability experience, with emphasis on water management, of two different campuses belonging to two different Spanish universities - one urban campus in a historic city and the other a suburban campus in the outskirts of a large city. Both universities are in the top hundred of international rankings of sustainable universities. The methodology adopts a qualitative method based on the technique of in-depth interviews and focus-group discussions with administrative and academic staff of the ‘Ecocampus’ offices, the organizational units for sustainability management, from the two Spanish universities. The hypotheses indicate that sustainable policies in terms of water management are best in campuses without big green spaces and where the buildings are built or rebuilt with modern style. The sustainability efforts of the university are independent of the kind of (urban – suburban) campus but an important aspect to improve is the degree of awareness of the university community about water scarcity. In general, the paper suggests that higher institutions adapt their sustainability policies depending on the location and features of the campus and their engagement with the water conservation. Many Spanish universities have proposed policies, good practices, and measures of sustainability. In fact, some offices or centers of Ecocampus have been founded. The originality of this study is to learn from the different experiences of sustainability policies of universities.

Keywords: ecocampus, ecocity, sustainability, water management

Procedia PDF Downloads 206
1951 Virtual Prototyping of LED Chip Scale Packaging Using Computational Fluid Dynamic and Finite Element Method

Authors: R. C. Law, Shirley Kang, T. Y. Hin, M. Z. Abdullah

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LED technology has been evolving aggressively in recent years from incandescent bulb during older days to as small as chip scale package. It will continue to stay bright in future. As such, there is tremendous pressure to stay competitive in the market by optimizing products to next level of performance and reliability with the shortest time to market. This changes the conventional way of product design and development to virtual prototyping by means of Computer Aided Engineering (CAE). It comprises of the deployment of Finite Element Method (FEM) and Computational Fluid Dynamic (CFD). FEM accelerates the investigation for early detection of failures such as crack, improve the thermal performance of system and enhance solder joint reliability. CFD helps to simulate the flow pattern of molding material as a function of different temperature, molding parameters settings to evaluate failures like voids and displacement. This paper will briefly discuss the procedures and applications of FEM in thermal stress, solder joint reliability and CFD of compression molding in LED CSP. Integration of virtual prototyping in product development had greatly reduced the time to market. Many successful achievements with minimized number of evaluation iterations required in the scope of material, process setting, and package architecture variant have been materialized with this approach.

Keywords: LED, chip scale packaging (CSP), computational fluid dynamic (CFD), virtual prototyping

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1950 Examining the Effects of National Disaster on the Performance of Hospitality Industry in Korea

Authors: Kim Sang Hyuck, Y. Park Sung

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The outbreak of national disasters stimulates the decrease of the both internal and domestic tourism demands, causing bad effects on the hospitality industry. The effective and efficient risk management regarding national disasters are being increasingly required from the hospitality industry practitioners and the tourism policymakers. To establish the effective and efficient risk management strategy on national disasters, the most essential prerequisite condition is the correct estimation of national disasters’ effects in terms of the size and duration of the damages occurred from national disaster on hospitality industry. More specifically, the national disasters are twofold: natural disaster and social disaster. In addition, the hospitality industry has consisted of several types of business, such as hotel, restaurant, travel agency, etc. As reasons of the above, it is important to consider how each type of national disasters differently influences on the performance of each type of hospitality industry. Therefore, the purpose of this study is examining the effects of national disaster on hospitality industry in Korea based on the types of national disasters as well as the types of hospitality business. The monthly data was collected from Jan. 2000 to Dec. 2016. The indexes of industrial production for each hospitality industry in Korea were used with the proxy variable for the performance of each hospitality industry. Two national disaster variables (natural disaster and social disaster) were treated as dummy variables. In addition, the exchange rate, industrial production index, and consumer price index were used as control variables in the research model. The impulse response analysis was used to examine the size and duration of the damages occurred from each type of national disaster on each type of hospitality industries. The results of this study show that the natural disaster and the social disaster differently influenced on each type of hospitality industry. More specifically, the performance of airline industry is negatively influenced by the natural disaster at the time of 3 months later from the incidence. However, the negative impacts of social disaster on airline industry occurred not significantly over the time periods. For the hotel industry, both natural disaster and social disaster negatively influence the performance of hotel industry at the time of 5 months and 6 months later, respectively. Also, the negative impact of natural disaster on the performance of restaurant industry occurred at the time of 5 months later, as well as for both 3 months and 6 months later for the social disaster. Finally, both natural disaster and social disaster negatively influence the performance of travel agency at the time of 3 months and 4 months later, respectively. In conclusion, the types of national disasters differently influence the performance of each type of hospitality industry in Korea. These results would provide an important information to establish the effective and efficient risk management strategy for the national disasters.

Keywords: impulse response analysis, Korea, national disaster, performance of hospitality industry

Procedia PDF Downloads 172
1949 Assessment of Escherichia coli along Nakibiso Stream in Mbale Municipality, Uganda

Authors: Abdul Walusansa

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The aim of this study was to assess the level of microbial pollution along Nakibiso stream. The study was carried out in polluted waters of Nakibiso stream, originating from Mbale municipality and running through ADRA Estates to Namatala Wetlands in Eastern Uganda. Four sites along the stream were selected basing on the activities of their vicinity. A total of 120 samples were collected in sterile bottles from the four sampling locations of the stream during the wet and dry seasons of the year 2011. The samples were taken to the National water and Sewerage Cooperation Laboratory for Analysis. Membrane filter technique was used to test for Erischerichia coli. Nitrogen, Phosphorus, pH, dissolved oxygen, electrical conductivity, total suspended solids, turbidity and temperature were also measured. Results for Nitrogen and Phosphorus for sites; 1, 2, 3 and 4 were 1.8, 8.8, 7.7 and 13.8 NH4-N mg/L; and 1.8, 2.1, 1.8 and 2.3 PO4-P mg/L respectively. Basing on these results, it was estimated that farmers use 115 and 24 Kg/acre of Nitrogen and Phosphorus respectively per month. Taking results for Nitrogen, the same amount of Nutrients in artificial fertilizers would cost $ 88. This shows that reuse of wastewater has a potential in terms of nutrients. The results for E. coli for sites 1, 2, 3 and 4 were 1.1 X 107, 9.1 X 105, 7.4 X 105, and 3.4 X 105 respectively. E. coli hence decreased downstream with statistically significant variations between sites 1 and 4. Site 1 had the highest mean E.coli counts. The bacterial contamination was significantly higher during the dry season when more water was needed for irrigation. Although the water had the potential for reuse in farming, bacterial contamination during both seasons was higher than 103 FC/100ml recommended by WHO for unrestricted Agriculture.

Keywords: E. coli, nitrogen, phosphorus, water reuse, waste water

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1948 Greatly Improved Dielectric Properties of Poly'vinylidene fluoride' Nanocomposites Using Ag-BaTiO₃ Hybrid Nanoparticles as Filler

Authors: K. Silakaew, P. Thongbai

Abstract:

There is an increasing need for high–permittivity polymer–matrix composites (PMC) owing to the rapid development of the electronics industry. Unfortunately, the dielectric permittivity of PMC is still too low ( < 80). Moreover, the dielectric loss tangent is usually high (tan > 0.1) when the dielectric permittivity of PMC increased. In this research work, the dielectric properties of poly(vinylidene fluoride) (PVDF)–based nanocomposites can be significantly improved by incorporating by silver–BaTiO3 (Ag–BT) ceramic hybrid nanoparticles. The Ag–BT/PVDF nanocomposites were fabricated using various volume fractions of Ag–BT hybrid nanoparticles (fAg–BT = 0–0.5). The Ag–BT/PVDF nanocomposites were characterized using several techniques. The main phase of Ag and BT can be detected by the XRD technique. The microstructure of the Ag–BT/PVDF nanocomposites was investigated to reveal the dispersion of Ag–BT hybrid nanoparticles because the dispersion state of a filler can have an effect on the dielectric properties of the nanocomposites. It was found that the filler hybrid nanoparticles were well dispersed in the PVDF matrix. The phase formation of PVDF phases was identified using the XRD and FTIR techniques. We found that the fillers can increase the polar phase of a PVDF polymer. The fabricated Ag–BT/PVDF nanocomposites are systematically characterized to explain the dielectric behavior in Ag–BT/PVDF nanocomposites. Interestingly, largely enhanced dielectric permittivity (>240) and suppressed loss tangent (tan<0.08) over a wide frequency range (102 – 105 Hz) are obtained. Notably, the dielectric permittivity is slightly dependent on temperature. The greatly enhanced dielectric permittivity was explained by the interfacial polarization between the Ag and PVDF interface, and due to a high permittivity of BT particles.

Keywords: BaTiO3, PVDF, polymer composite, dielectric properties

Procedia PDF Downloads 172
1947 Thermochemical Study of the Degradation of the Panels of Wings in a Space Shuttle by Utilization of HSC Chemistry Software and Its Database

Authors: Ahmed Ait Hou

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The wing leading edge and nose cone of the space shuttle are fabricated from a reinforced carbon/carbon material. This material attains its durability from a diffusion coating of silicon carbide (SiC) and a glass sealant. During re-entry into the atmosphere, this material is subject to an oxidizing high-temperature environment. The use of thermochemical calculations resulting at the HSC CHEMISTRY software and its database allows us to interpret the phenomena of oxidation and chloridation observed on the wing leading edge and nose cone of the space shuttle during its mission in space. First study is the monitoring of the oxidation reaction of SiC. It has been demonstrated that thermal oxidation of the SiC gives the two compounds SiO₂(s) and CO(g). In the extreme conditions of very low oxygen partial pressures and high temperatures, there is a reaction between SiC and SiO₂, leading to SiO(g) and CO(g). We had represented the phase stability diagram of Si-C-O system calculated by the use of the HSC Chemistry at 1300°C. The principal characteristic of this diagram of predominance is the line of SiC + SiO₂ coexistence. Second study is the monitoring of the chloridation reaction of SiC. The other problem encountered in addition to oxidation is the phenomenon of chloridation due to the presence of NaCl. Indeed, after many missions, the leading edge wing surfaces have exhibited small pinholes. We have used the HSC Chemistry database to analyze these various reactions. Our calculations concorde with the phenomena we announced in research work resulting in NASA LEWIS Research center.

Keywords: thermochchemicals calculations, HSC software, oxidation and chloridation, wings in space

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1946 The Influence of Colloidal Metal Nanoparticles on Growth and Proliferation of in Vitro Cultures of Potato

Authors: Przewodowski Włodzimierz, Przewodowska Agnieszka, Sekrecka Danuta, Michałowska Dorota

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Colloidal metal nanoparticles are widely applied in various areas and have great potential in different biotechnological applications. Their particular properties associated with both the antiseptic, antioxidant and anti aging properties as well as ability to penetrate most of the biological barriers, synergy in the absorption of nutrients and nontoxic to plants. The properties make them potentially useful in the fast and safe production of healthy, certified starting material in the production of plants exposed to many pathogenic microorganisms causing serious diseases, significantly affecting yield and causing the economic losses. In this case it is crucial to provide appropriate conditions for the production, storage and distribution of the plant material. Therefore, the aim of the proposed research was to develop and identify the influence of four colloidal metal nanoparticles on growth and proliferation of in vitro cultures of potato (Solanum tuberosum) - one of the most economically important strategic crops in the world. The research on different varieties of potato was performed by placing the explants of the in vitro cultures on sterile Murashige and Skoog (MS) type medium. The influence of the nanocolloids was evaluated using the MS medium impregnated with the examinated nanoparticles. The vigour of growth and the rate of proliferation was examinated for 6-8 weeks with both night/day-length and temperature over the ranges 8/16 h and 20–22 °C respectively. The results of our preliminary work confirmed high usefulness of the nanocolloids in the safe production of the examinated in vitro cultures.

Keywords: colloidal metal nanoparticles, in vitro cultures, potato, propagation

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1945 Modeling of Full Range Flow Boiling Phenomenon in 23m Long Vertical Steam Generator Tube

Authors: Chaitanya R. Mali, V. Vinod, Ashwin W. Patwardhan

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Design of long vertical steam generator (SG) tubes in nuclear power plant involves an understanding of different aspects of flow boiling phenomenon such as flow instabilities, flow regimes, dry out, critical heat flux, pressure drop, etc. The knowledge of the prediction of local thermal hydraulic characteristics is necessary to understand these aspects. For this purpose, the methodology has been developed which covers all the flow boiling regimes to model full range flow boiling phenomenon. In this methodology, the vertical tube is divided into four sections based on vapor fraction value at the end of each section. Different modeling strategies have been applied to the different sections of the vertical tube. Computational fluid dynamics simulations have been performed on a vertical SG tube of 0.0126 m inner diameter and 23 m length. The thermal hydraulic parameters such as vapor fraction, liquid temperature, heat transfer coefficient, pressure drop, heat flux distribution have been analyzed for different designed heat duties (1.1 MW (20%) to 3.3 MW (60%)) and flow conditions (10 % to 80 %). The sensitivity of different boiling parameters such as bubble departure diameter, nucleation site density, bubble departure frequency on the thermal hydraulic parameters was also studied. Flow instability has been observed at 20 % designed heat duty and 20 % flow conditions.

Keywords: thermal hydraulics, boiling, vapor fraction, sensitivity

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1944 A Study on the Failure Modes of Steel Moment Frame in Post-Earthquake Fire Using Coupled Mechanical-Thermal Analysis

Authors: Ehsan Asgari, Meisam Afazeli, Nezhla Attarchian

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Post-earthquake fire is considered as a major threat in seismic areas. After an earthquake, fire is possible in structures. In this research, the effect of post-earthquake fire on steel moment frames with and without fireproofing coating is investigated. For this purpose, finite element method is employed. For the verification of finite element results, the results of an experimental study carried out by previous researchers are used, and the predicted FE results are compared with the test results, and good agreement is observed. After ensuring the accuracy of the predictions of finite element models, the effect of post-earthquake fire on the frames is investigated taking into account the parameters including the presence or absence of fire protection, frame design assumptions, earthquake type and different fire scenario. Ordinary fire and post-earthquake fire effect on the frames is also studied. The plastic hinges induced by earthquake in the structure are determined in the beam to the column connection and in panel zone. These areas should be accurately considered when providing fireproofing coatings. The results of the study show that the occurrence of fire beside corner columns is the most damaging scenario that results in progressive collapse of structure. It was also concluded that the behavior of structure in fire after a strong ground motion is significantly different from that in a normal fire.

Keywords: post earthquake fire, moment frame, finite element simulation, coupled temperature-displacement analysis, fire scenario

Procedia PDF Downloads 138
1943 Molecular Detection of Naegleria fowleri and Fecal Indicator Bacteria in Brackish Water of Lake Pontchartrain, Louisiana

Authors: Jia Xue, Frederica G. Lamar, Siyu Lin, Jennifer G. Lamori, Samendra Sherchan

Abstract:

Brackish water samples from Lake Pontchartrain in Louisiana were assessed for the presence of pathogenic amoeba Naegleria fowleri, which causes primary amoebic meningoencephalitis (PAM). In our study, quantitative polymerase chain reaction (qPCR) methods were used to determine N. fowleri, E. coli, and Enterococcus in water collected from Lake Pontchartrain. A total of 158 water samples were analyzed over the 10-month sampling period. Statistically significant positive correlation between water temperature and N. fowleri concentration was observed. N. fowleri target sequence was detected at 35.4% (56/158) of the water samples from ten sites around the Lake ranged from 11.6 GC/100 ml water to 457.8 GC/100 ml water. A single factor (ANOVA) analysis shows the average concentration of N. fowleri in summer (119.8 GC/100 ml) was significantly higher than in winter (58.6 GC/100 ml) (p < 0.01). Statistically significant positive correlations were found between N. fowleri and qPCR E. coli results and N. fowleri and colilert E. coli (culture method), respectively. A weak positive correlation between E. coli and Enterococcus was observed from both qPCR (r = 0.27, p < 0.05) and culture based method (r = 0.52, p < 0.05). Meanwhile, significant positive correlation between qPCR and culture based methods for E. coli (r = 0.30, p < 0.05) and Enterococcus concentration was observed (r = 0.26, p < 0.05), respectively. Future research is needed to determine whether sediment is a source of N. fowleri found in the water column.

Keywords: brackish water, Escherichia coli, Enterococcus, Naegleria fowleri, primary amoebic meningoencephalitis (PAM), qPCR

Procedia PDF Downloads 149
1942 Arta (Calligonum Comosum, L'her.) Shoot Extract: Bio-mediator in Silver Nanoparticles Formation and Antimycotic Potential

Authors: Afrah E. Mohammed, Mudawi M. Nour

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Environmentally friendly green synthesis of nanomaterial has a very significant part in nanotechnology. In the present research, the synthesis of silver nanoparticles (AgNPs) was established by treating silver ions with the aqueous extract of Calligonum comosum green shoots at room temperature. AgNPs formation was firstly detected by the colour change of mixed extract (plant extract and AgNO3). Further characterization was done by ultraviolet (UV)-Vis spectrophotometer, transmission electron microscopy (TEM), scanning electron microscopy (SEM), zeta potential and fourier transform infrared spectroscopy (FTIR). The peak values for UV-VIS- spectroscopy were in the range of 440 nm, TEM micrograph showed a spherical shape for the particles and zeta potential showed the formation of negative charged nanoparticles with an average size of about 105.8 nm. 1635.41 and 3249.83 cm−1 are the peaks detected from the FTIR analysis. In this study, biosynthesized silver nanoparticles mediated by C. comosum were tested for their antimycotic activity using a well diffusion method against fungal species; Aspergillus flavus, Penicillium sp, Fusarium oxysporum. Our findings indicated that biosynthesized AgNPs showed an efficient antimycotic activity against tested species. The antimycotic action of AgNPs varied according to different fungal species. Results confirmed the ability of C. comosum green shoot extract to act as an reducing and stabilizing agent during the synthesis of AgNPs.

Keywords: AGNPS, zeta potential, TEM, SEM

Procedia PDF Downloads 63
1941 Numerical Study of Jet Impingement Heat Transfer

Authors: A. M. Tiara, Sudipto Chakraborty, S. K. Pal

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Impinging jets and their different configurations are important from the viewpoint of the fluid flow characteristics and their influence on heat transfer from metal surfaces due to their complex flow characteristics. Such flow characteristics results in highly variable heat transfer from the surface, resulting in varying cooling rates which affects the mechanical properties including hardness and strength. The overall objective of the current research is to conduct a fundamental investigation of the heat transfer mechanisms for an impinging coolant jet. Numerical simulation of the cooling process gives a detailed analysis of the different parameters involved even though employing Computational Fluid Dynamics (CFD) to simulate the real time process, being a relatively new research area, poses many challenges. The heat transfer mechanism in the current research is actuated by jet cooling. The computational tool used in the ongoing research for simulation of the cooling process is ANSYS Workbench software. The temperature and heat flux distribution along the steel strip with the effect of various flow parameters on the heat transfer rate can be observed in addition to determination of the jet impingement patterns, which is the major aim of the present analysis. Modelling both jet and air atomized cooling techniques using CFD methodology and validating with those obtained experimentally- including trial and error with different models and comparison of cooling rates from both the techniques have been included in this work. Finally some concluding remarks are made that identify some gaps in the available literature that have influenced the path of the current investigation.

Keywords: CFD, heat transfer, impinging jets, numerical simulation

Procedia PDF Downloads 223
1940 Polymer Patterning by Dip Pen Nanolithography

Authors: Ayse Cagil Kandemir, Derya Erdem, Markus Niederberger, Ralph Spolenak

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Dip Pen nanolithography (DPN), which is a tip based method, serves a novel approach to produce nano and micro-scaled patterns due to its high resolution and pattern flexibility. It is introduced as a new constructive scanning probe lithography (SPL) technique. DPN delivers materials in the form of an ink by using the tip of a cantilever as pen and substrate as paper in order to form surface architectures. First studies rely on delivery of small organic molecules on gold substrate in ambient conditions. As time passes different inks such as; polymers, colloidal particles, oligonucleotides, metallic salts were examined on a variety of surfaces. Discovery of DPN also enabled patterning with multiple inks by using multiple cantilevers for the first time in SPL history. Specifically, polymer inks, which constitute a flexible matrix for various materials, can have a potential in MEMS, NEMS and drug delivery applications. In our study, it is aimed to construct polymer patterns using DPN by studying wetting behavior of polymer on semiconductor, metal and polymer surfaces. The optimum viscosity range of polymer and effect of environmental conditions such as humidity and temperature are examined. It is observed that there is an inverse relation with ink viscosity and depletion time. This study also yields the optimal writing conditions to produce consistent patterns with DPN. It is shown that written dot sizes increase with dwell time, indicating that the examined writing conditions yield repeatable patterns.

Keywords: dip pen nanolithography, polymer, surface patterning, surface science

Procedia PDF Downloads 383
1939 Carbon Nanomaterials from Agricultural Wastes for Adsorption of Organic Pollutions

Authors: Magdalena Blachnio, Viktor Bogatyrov, Mariia Galaburda, Anna Derylo-Marczewska

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Agricultural waste materials from traditional oil mill and after extraction of natural raw materials in supercritical conditions were used for the preparation of carbon nanomaterials (activated carbons) by two various methods. Chemical activation using acetic acid and physical activation with a gaseous agent (carbon dioxide) were chosen as mild and environmentally friendly ones. The effect of influential factors: type of raw material, temperature and activation agent on the porous structure characteristics of the materials was discussed by using N₂ adsorption/desorption isotherms at 77 K. Furthermore scanning electron microscope (SEM), transmission electron microscope (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) were employed to examine the physicochemical properties of the obtained sorbents. Selection of a raw material and an optimization of the conditions of the synthesis process, allowed to obtain the cheap sorbents with a targeted distribution of pores enabling effective adsorption of the model organic pollutants carried out in the multicomponent systems. Adsorption behavior (capacity and rate) of the chosen activated carbons was estimated by utilizing Crystal violet (CV), 4-chlorophenoxyacetic acid (4-CPA), 2.4-dichlorophenoxyacetic acid (2.4-D) as the adsorbates. Both rate and adsorption capacity of the organics on the sorbents evidenced that the activated carbons could be effectively used in sewage treatment plants. The mechanisms of organics adsorption were studied and correlated with activated carbons properties.

Keywords: activated carbon, adsorption equilibrium, adsorption kinetics, organics adsorption

Procedia PDF Downloads 162
1938 Chemical Sensing Properties of Self-Assembled Film Based on an Amphiphilic Ambipolar Triple-Decker (Phthalocyaninato) (Porphyrinato) Europium Semiconductor

Authors: Kiran Abdullah, Yanli Chen

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An amphiphilic mixed (phthalocyaninato) (porphyrinato) europium triple-decker complex Eu₂(Pc)₂(TPyP) has been synthesized and characterized. Introducing electron-withdrawing pyridyl substituents onto the meso-position of porphyrin ring in the triple-decker to ensure the sufficient hydrophilicity and suitable HOMO and LUMO energy levels and thus successfully realize amphiphilic ambipolar organic semiconductor. Importantly, high sensitive, reproducible p-type and n-type responses towards NH₃ andNO₂ respectively, based on the self-assembled film of the Eu₂(Pc)₂(TPyP) fabricated by a simple solution-based Quasi–Langmuir–Shäfer (QLS) method, have been first revealed. The good conductivity and crystallinity for the QLS film of Eu₂(Pc)₂(TPyP) render it excellent sensing property. This complex is sensitive to both electron-donating NH₃ gas in 5–30 ppm range and electron-accepting NO₂ gas 400–900 ppb range. Due to uniform nano particles there exist effective intermolecular interaction between triple decker molecules. This is the best result of Phthalocyanine–based chemical sensors at room temperature. Furthermore, the responses of the QLS film are all linearly correlated to both NH₃ and NO₂ with excellent sensitivity of 0.04% ppm⁻¹ and 31.9 % ppm⁻¹, respectively, indicating the great potential of semiconducting tetrapyrrole rare earth triple-decker compounds in the field of chemical sensors.

Keywords: ambipolar semiconductor, gas sensing, mixed (phthalocyaninato) (porphyrinato) rare earth complex, Self-assemblies

Procedia PDF Downloads 186
1937 Bioactive Compounds and Antioxidant Capacity of Instant Fruit Green Tea Powders

Authors: Akanit Pisalwadcharin, Komate Satayawut, Virachnee Lohachoompol

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Green tea, mangosteen and pomegranate contain high levels of bioactive compounds which have antioxidant effects and great potential in food applications. The aim of this study was to produce and determine catechin contents, total phenolic contents, antioxidant activity and phenolic compounds of two instant fruit green tea powders which were green tea fortified with mangosteen juice and green tea fortified with pomegranate juice. Seventy percent of hot water extract of green tea was mixed with 30% of mangosteen juice or pomegranate juice, and then spray-dried using a spray dryer. The results showed that the drying conditions optimized for the highest total phenolic contents, catechin contents and antioxidant activity of both powders were the inlet air temperature of 170°C, outlet air temperatures of 90°C and maltodextrin concentration of 30%. The instant green tea with mangosteen powder had total phenolic contents, catechin contents and antioxidant activity of 19.18 (mg gallic acid/kg), 85.44 (mg/kg) and 4,334 (µmoles TE/100 g), respectively. The instant green tea with pomegranate powder had total phenolic contents, catechin contents and antioxidant activity of 32.72 (mg gallic acid/kg), 156.36 (mg/kg) and 6,283 (µmoles TE/100 g), respectively. The phenolic compounds in instant green tea with mangosteen powder comprised of tannic acid (2,156.87 mg/kg), epigallocatechin-3-gallate (898.23 mg/kg) and rutin (13.74 mg/kg). Also, the phenolic compounds in instant green tea with pomegranate powder comprised of tannic acid (2,275.82 mg/kg), epigallocatechin-3-gallate (981.23 mg/kg), rutin (14.97 mg/kg) and i-quercetin (5.86 mg/kg).

Keywords: green tea, mangosteen, pomegranate, antioxidant activity

Procedia PDF Downloads 345
1936 Structure Clustering for Milestoning Applications of Complex Conformational Transitions

Authors: Amani Tahat, Serdal Kirmizialtin

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Trajectory fragment methods such as Markov State Models (MSM), Milestoning (MS) and Transition Path sampling are the prime choice of extending the timescale of all atom Molecular Dynamics simulations. In these approaches, a set of structures that covers the accessible phase space has to be chosen a priori using cluster analysis. Structural clustering serves to partition the conformational state into natural subgroups based on their similarity, an essential statistical methodology that is used for analyzing numerous sets of empirical data produced by Molecular Dynamics (MD) simulations. Local transition kernel among these clusters later used to connect the metastable states using a Markovian kinetic model in MSM and a non-Markovian model in MS. The choice of clustering approach in constructing such kernel is crucial since the high dimensionality of the biomolecular structures might easily confuse the identification of clusters when using the traditional hierarchical clustering methodology. Of particular interest, in the case of MS where the milestones are very close to each other, accurate determination of the milestone identity of the trajectory becomes a challenging issue. Throughout this work we present two cluster analysis methods applied to the cis–trans isomerism of dinucleotide AA. The choice of nucleic acids to commonly used proteins to study the cluster analysis is two fold: i) the energy landscape is rugged; hence transitions are more complex, enabling a more realistic model to study conformational transitions, ii) Nucleic acids conformational space is high dimensional. A diverse set of internal coordinates is necessary to describe the metastable states in nucleic acids, posing a challenge in studying the conformational transitions. Herein, we need improved clustering methods that accurately identify the AA structure in its metastable states in a robust way for a wide range of confused data conditions. The single linkage approach of the hierarchical clustering available in GROMACS MD-package is the first clustering methodology applied to our data. Self Organizing Map (SOM) neural network, that also known as a Kohonen network, is the second data clustering methodology. The performance comparison of the neural network as well as hierarchical clustering method is studied by means of computing the mean first passage times for the cis-trans conformational rates. Our hope is that this study provides insight into the complexities and need in determining the appropriate clustering algorithm for kinetic analysis. Our results can improve the effectiveness of decisions based on clustering confused empirical data in studying conformational transitions in biomolecules.

Keywords: milestoning, self organizing map, single linkage, structure clustering

Procedia PDF Downloads 207
1935 A Machine Learning Approach for Earthquake Prediction in Various Zones Based on Solar Activity

Authors: Viacheslav Shkuratskyy, Aminu Bello Usman, Michael O’Dea, Saifur Rahman Sabuj

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This paper examines relationships between solar activity and earthquakes; it applied machine learning techniques: K-nearest neighbour, support vector regression, random forest regression, and long short-term memory network. Data from the SILSO World Data Center, the NOAA National Center, the GOES satellite, NASA OMNIWeb, and the United States Geological Survey were used for the experiment. The 23rd and 24th solar cycles, daily sunspot number, solar wind velocity, proton density, and proton temperature were all included in the dataset. The study also examined sunspots, solar wind, and solar flares, which all reflect solar activity and earthquake frequency distribution by magnitude and depth. The findings showed that the long short-term memory network model predicts earthquakes more correctly than the other models applied in the study, and solar activity is more likely to affect earthquakes of lower magnitude and shallow depth than earthquakes of magnitude 5.5 or larger with intermediate depth and deep depth.

Keywords: k-nearest neighbour, support vector regression, random forest regression, long short-term memory network, earthquakes, solar activity, sunspot number, solar wind, solar flares

Procedia PDF Downloads 59
1934 Influence of Aluminium on Grain Refinement in As-Rolled Vanadium-Microalloyed Steels

Authors: Kevin Mark Banks, Dannis Rorisang Nkarapa Maubane, Carel Coetzee

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The influence of aluminium content, reheating temperature, and sizing (final) strain on the as-rolled microstructure was systematically investigated in vanadium-microalloyed and C-Mn plate steels. Reheating, followed by hot rolling and air cooling simulations were performed on steels containing a range of aluminium and nitrogen contents. Natural air cooling profiles, corresponding to 6 and 20mm thick plates, were applied. The austenite and ferrite/pearlite microstructures were examined using light optical microscopy. Precipitate species and volume fraction were determined on selected specimens. No influence of aluminium content was found below 0.08% on the as-rolled grain size in all steels studied. A low Al-V-steel produced the coarsest initial austenite grain size due to AlN dissolution at low temperatures leading to abnormal grain growth. An Al-free V-N steel had the finest initial microstructure. Although the as-rolled grain size for 20mm plate was similar in all steels tested, the grain distribution was relatively mixed. The final grain size in 6mm plate was similar for most compositions; the exception was an as-cast V low N steel, where the size of the second phase was inversely proportional to the sizing strain. This was attributed to both segregation and a low VN volume fraction available for effective pinning of austenite grain boundaries during cooling. Increasing the sizing strain refined the microstructure significantly in all steels.

Keywords: aluminium, grain size, nitrogen, reheating, sizing strain, steel, vanadium

Procedia PDF Downloads 131
1933 Effect of Microwave Radiations on Natural Dyes’ Application on Cotton

Authors: Rafia Asghar, Abdul Hafeez

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The current research was related with natural dyes’ extraction from the powder of Neem (Azadirachta indica) bark and studied characterization of this dye under microwave radiation’s influence. Both cotton fabric and dyeing powder were exposed to microwave rays for different time intervals (2minutes, 4 minutes, 6 minutes, 8 minutes and 10 minutes) using conventional oven. Aqueous, 60% Methanol and Ethyl Acetate solubilized extracts obtained from Neem (Azadirachta indica) bark were also exposed to different time intervals (2minutes, 4 minutes, 6 minutes, 8 minutes and 10 minutes) of microwave rays exposure. Pre, meta and post mordanting with Alum (2%, 4%, 6%, 8%, and 10%) was done to improve color strength of the extracted dye. Exposure of Neem (Azadirachta indica) bark extract and cotton to microwave rays enhanced the extraction process and dyeing process by reducing extraction time, dyeing time and dyeing temperature. Microwave rays treatment had a very strong influence on color fastness and color strength properties of cotton that was dyes using Neem (Azadirachta indica) bark for 30 minutes and dyeing cotton with that Neem bark extract for 75 minutes at 30°C. Among pre, meta and post mordanting, results indicated that 5% concentration of Alum in meta mordanting exhibited maximum color strength.

Keywords: dyes, natural dyeing, ecofriendly dyes, microwave treatment

Procedia PDF Downloads 677
1932 Ab Initio Approach to Generate a Binary Bulk Metallic Glass Foam

Authors: Jonathan Galvan-Colin, Ariel Valladares, Renela Valladares, Alexander Valladares

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Both porous materials and bulk metallic glasses have been studied due to their potential applications and their exceptional physical and chemical properties. However, each material presents certain drawbacks which have been thought to be overcome by generating bulk metallic glass foams (BMGF). Although some experimental reports have been performed on multicomponent BMGF, still no ab initio works have been published, as far as we know. We present an approach based on the expanding lattice (EL) method to generate binary amorphous nanoporous Cu64Zr36. Starting from two different configurations: a 108-atom crystalline cubic supercell (cCu64Zr36) and a 108-atom amorphous supercell (aCu64Zr36), both with an initial density of 8.06 g/cm3, we applied EL method to halve the density and to get 50% of porosity. After the lattice expansion the supercells were subject to ab initio molecular dynamics for 500 steps at constant room temperature. Then, the samples were geometry-optimized and characterized with the pair and radial distribution functions, bond-angle distributions and a coordination number analysis. We found that pores appeared along specific spatial directions different from one to another and that they differed in size and form as well, which we think is related to the initial structure. Due to the lack of experimental counterparts our results should be considered predictive and further studies are needed in order to handle a larger number of atoms and its implication on pore topology.

Keywords: ab initio molecular dynamics, bulk mettalic glass, porous alloy

Procedia PDF Downloads 249