Search results for: computational materials

Authors: Hafawa Messaoudi, Taoufik Aguili

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Due to the rapid growth in the use of wireless communication systems, there has been a recent increase in public concern regarding the exposure of humans to Radio Frequency (RF) electromagnetic radiation. This is particularly evident in the case of mobile telephone handsets. Previously, the insertion of a ferrite sheet between the antenna and the human head, the use of conductive materials (such as aluminum), the use of metamaterials (SRR), frequency selective surface (FSS), and electromagnetic band gap (EBG) structures to design high performance devices were proposed as methods of reducing the SAR value. This paper aims to provide an investigation of the effectiveness of various available Specific Absorption Rate (SAR) reduction solutions.

Keywords: EBG, HIS, metamaterials, SAR reduction

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Authors: Olumayede Emmanuel Gbenga, Adeniyi Azeez Adebayo

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Carbonyls are the first-generation products from tropospheric degradation reactions of volatile organic compounds (VOCs). This computational study examined the mechanism of removal of carbonyls from the atmosphere via hydroxyl radical. The kinetics of the reactions were computed from the activation energy (using enthalpy (ΔH**) and Gibbs free energy (ΔG**). The minimum energy path (MEP) analysis reveals that in all the molecules, the products have more stable energy than the reactants, which implies that the forward reaction is more thermodynamically favorable. The hydrogen abstraction of the aromatic aldehyde, especially without methyl substituents, is more kinetically favorable compared with the other aldehydes in the order of aromatic (without methyl or meta methyl) > alkene (short chain) > diene > long-chain aldehydes. The activation energy is much lower for the forward reaction than the backward, indicating that the forward reactions are more kinetically stable than their backward reaction. In terms of thermodynamic stability, the aromatic compounds are found to be less favorable in comparison to the aliphatic. The study concludes that the chemistry of the carbonyl bond of the aldehyde changed significantly from the reactants to the products.

Keywords: atmospheric carbonyls, oxidation, mechanism, kinetic, thermodynamic

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Authors: Mohamad Mohsen Yavarizadeh

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Polystyrene (PS) and related homopolymers are brittle materials that typically fail in tensile tests at very low strains. These polymers can be toughened by the addition of rubbery particles which initiate a large number of crazes that produce substantial plastic strain at relatively low stresses. Considerable energy is dissipated in the formation of these crazes, producing a relatively tough material that shows an impact toughness of more than 5 times of pure PS. While cross linking of rubbery phase is necessary in aforementioned mechanism of toughening, another mechanism of toughening was also introduced in which low molecular weight liquid rubbers can also toughen PS when dispersed in the form of small pools in the glassy matrix without any cross linking. However, this new mechanism which is based on local plasticization, fails to act properly at high strain rate deformations, i.e. impact tests. In this work, the idea of combination of these two mechanisms was tried. To do so, Polybutadiene rubbers (PB) with bimodal distribution of molecular weight were prepared in which, comparable fractions of very high and very low molecular weight rubbers were mixed. Incorporation of these materials in PS matrix in a reactive process resulted in more significant increases in toughness of PS. In other words, although low molecular weight PB is ineffective in high strain rate impact test by itself, it showed a significant synergistic effect when combined with high molecular weight PB. Surprisingly, incorporation of just 10% of low molecular weight PB doubled the impact toughness of regular high impact PS (HIPS). It was observed that most of rubbery particles could initiate crazes. The effectiveness of low molecular weight PB in impact test was attributed to low strain rate deformation of each individual craze as a result of producing a large number of crazes in this material. In other words, high molecular weight PB chains make it possible to have an appropriate dispersion of rubbery phase in order to create a large number of crazes in the PS matrix and consequently decrease the velocity of each craze. Low molecular weight PB, in turn, would have enough time to locally plasticize craze fibrils and enhance the energy dissipation.

Keywords: molecular weight distribution, polystyrene, toughness, homopolymer

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Authors: Pranav Mohan Parki, C. Mallika Parveen, Tahseen Ahmad Khan, Mihika Shivkumar

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Additive manufacturing (AM) is one of the several manufacturing processes in use today. AM comprises of techniques such as ‘Selective Laser Sintering’ and ‘Selective Laser Melting’ etc. along with other equipment and materials has been developed way back in 1980s, although major use of these methods has risen during the last decade. AM seems to be the most efficient way when compared to the traditional machining procedures. Still many problems continue to hinder its progress to becoming the most widely used of all. This paper contributes to the better understanding of AM and also aims at providing viable solutions to these problems, which may further help in enabling AM to become the most flaw free production method.

Keywords: additive manufacturing (AM), 3D printing, prototype, laser sintering

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Authors: Farha Mizana Shamsudin, Shahidan Radiman, Yusof Abdullah, Nasri Abdul Hamid

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Oxide dispersion strengthened (ODS) ferritic steels are amongst the most promising candidates for large scale structural materials to be applied in next generation fission and fusion nuclear power reactors. This kind of material is relatively stable at high temperature, possess remarkable mechanical properties and comparatively good resistance from neutron radiation damage. The superior performance of ODS ferritic steels over their conventional properties is attributed to the high number density of nano-sized dispersoids that act as nucleation sites and stable sinks for many small helium bubbles resulting from irradiation, and also as pinning points to dislocation movement and grain growth. ODS ferritic steels are usually produced by powder metallurgical routes involving mechanical alloying (MA) process of Y2O3 and pre-alloyed or elemental metallic powders, and then consolidated by hot isostatic pressing (HIP) or hot extrusion (HE) techniques. In this study, Fe-14Cr-3W-0.5Ti-0.3Y₂O₃ (designated as 14YWT) was produced by mechanical alloying process and followed by hot isostatic pressing (HIP) technique. Crystal structure and morphology of this sample were identified and characterized by using X-ray Diffraction (XRD) and field emission scanning electron microscope (FESEM) respectively. The magnetic measurement of this sample at room temperature was carried out by using a vibrating sample magnetometer (VSM). FESEM micrograph revealed a homogeneous microstructure constituted by fine grains of less than 650 nm in size. The ultra-fine dispersoids of size between 5 nm to 19 nm were observed homogeneously distributed within the BCC matrix. The EDS mapping reveals that the dispersoids contain Y-Ti-O nanoclusters and from the magnetization curve plotted by VSM, this sample approaches the behavior of soft ferromagnetic materials. In conclusion, ODS Fe-14Cr-3W-0.5Ti-0.3Y₂O₃ (14YWT) ferritic steel was successfully produced by HIP technique in this present study.

Keywords: hot isostatic pressing, magnetization, microstructure, ODS ferritic steel

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Authors: A. A. Ahmadi, A. R. Pishevar, M. Nili

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As the test gas in a gun tunnel is non-isentropically compressed and heated by a light weight piston. Here, first consideration is the optimum piston weight. Although various aspects of the influence of piston weight on gun tunnel performance have been studied, it is not possible to decide from the existing literature what piston weight is required for optimum performance in various conditions. The technique whereby the piston is rapidly brought to rest at the end of the gun tunnel barrel, and the resulted peak pressure is equal in magnitude to the final equilibrium pressure, is called the equilibrium piston technique. The equilibrium piston technique was developed to estimate the equilibrium piston mass; but this technique cannot give an appropriate estimate for the optimum piston weight. In the present work, a gun tunnel with diameter of 3 in. is described and its performance is investigated numerically to obtain the effect of piston and its weight. Numerical results in the present work are in very good agreement with experimental results. Significant influence of the existence of a piston is shown by comparing the gun tunnel results with results of a conventional shock tunnel in the same dimension and same initial condition. In gun tunnel, an increase of around 250% in running time is gained relative to shock tunnel. Also, Numerical results show that equilibrium piston technique is not a good way to estimate suitable piston weight and there will be a lighter piston which can increase running time of the gun tunnel around 60%.

Keywords: gun tunnel, hypersonic flow, piston, shock tunnel

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Authors: Julius K. Gane, Mohamad N. Nahil, Paul T. Williams

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In today’s world of rapid population growth and a changing climate, one way to mitigate various negative effects is via renewable energy solutions. Energy and power as basic requirements in almost all human endeavours are also the banes of the changing climate and the impacts thereof. Thus it is crucial to develop innovative and environmentally friendly energy options to ameliorate various negative repercussions. Upgrading of fast pyrolysis bio-oil via hydro-treatment offers such opportunities, as quality renewable liquid transportation fuels can be produced. The process, however, is typically accompanied by bio-char formation as a by-product. The goal of this work was to study the yield and some properties of bio-chars formed from a hydrotreatment process, with an overall aim to promote the valuable utilization of wastes or by-products from renewable energy technologies. It is assumed that bio-chars that have comparable energy contents with coals will be more desirable as solid energy materials due to renewability and environmental friendliness. Therefore, the analytical work in this study focused mainly on determining the higher heating value (HHV) of the chars. The method involved the reaction of bio-oil in an autoclave supplied by the Parr Instrument Company, IL, USA. Two main parameters (different temperatures and resident times) were investigated. The chars were characterized using a Thermo EA2000 CHNS analyser, then oxygen contents and HHVs computed based on the literature. From the results, these bio-chars can readily serve as feedstocks for the production of renewable solid fuels. Their HHVs ranged between 29.26-39.18 MJ/kg, affected by different temperatures and retention times. There was an inverse relationship between the oxygen content and the HHVs of the chars. It can, therefore, be concluded that it is possible to optimize the process efficiency of the hydrotreatment process used through the production of renewable energy materials from the 'waste’ char by-products. Future work should consider developing a suitable balance between the primary objective of bio-oil upgrading processes (which is to improve the quality of the liquid fuels) and the conversion of its solid wastes into value-added products such as smokeless briquettes.

Keywords: bio-char, renewable solid biofuels, valorisation, waste-to-energy

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Authors: Myeong-Gon Lee, Yang-Gyun Kim, Tae-Young Kim, Seung-Ho Han

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The high-pressure valve uses one set of 2-way valves for the purpose of reversing fluid direction. If there is no accurate control device for the 2-way valves, lots of surging can be generated. The surging is a kind of pressure ripple that occurs in rapid changes of fluid motions under inaccurate valve control. To reduce the surging effect, a 3-way reversing valve can be applied which provides a rapid and precise change of water flow directions without any accurate valve control system. However, a cavitation occurs due to a complicated internal trim shape of the 3-way reversing valve. The cavitation causes not only noise and vibration but also decreasing the efficiency of valve-operation, in which the bubbles generated below the saturated vapor pressure are collapsed rapidly at higher pressure zone. The shape optimization of the 3-way reversing valve to minimize the cavitation effect is necessary. In this study, the cavitation index according to the international standard ISA was introduced to estimate macroscopically the occurrence of the cavitation effect. Computational fluid dynamic analysis was carried out, and the cavitation effect was quantified by means of the percent of cavitation converted from calculated results of vapor volume fraction. In addition, the shape optimization of the 3-way reversing valve was performed by taking into account of the percent of cavitation.

Keywords: 3-Way reversing valve, cavitation, shape optimization, vapor volume fraction

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Authors: Atiq Uz Zaman

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Sustainable waste management is one of the major global challenges that we face today. A poor waste management system not only symbolises the inefficiency of our society but also depletes valuable resources and emits pollutions to the environment. Presently, we extract more natural resources than ever before in order to meet the demand for constantly growing resource consumption. It is estimated that around 71 tonnes of ‘upstream’ materials are used for every tonne of MSW. Therefore, resource recovery from waste potentially offsets a significant amount of upstream resource being depleted. This study tries to measure the environmental benefits of global waste management systems by applying a tool called the Zero Waste Index (ZWI). The ZWI measures the waste management performance by accounting for the potential amount of virgin material that can be offset by recovering resources from waste. In addition, the ZWI tool also considers the energy, GHG and water savings by offsetting virgin materials and recovering energy from waste. This study analyses the municipal solid waste management system of 172 countries from all over the globe and the population covers in the study is 3.37 billion. This study indicates that we generated around 1.47 billion tonnes (436kg/cap/year) of municipal solid waste each year and the waste generation is increasing over time. This study also finds a strong and positive correlation (R2=0.29, p = < .001) between income (GDP/capita/year) and amount of waste generated (kg/capita/year). About 84% of the waste is collected globally and only 15% of the collected waste is recycled. The ZWI of the world is measured in this study of 0.12, which means that the current waste management system potentially offsets only 12% of the total virgin material substitution potential from waste. Annually, an average person saved around 219kWh of energy, emitted around 48kg of GHG and saved around 38l of water. Findings of this study are very important to measure the current waste management performance in a global context. In addition, the study also analysed countries waste management performance based on their income level.

Keywords: global performance, material substitution; municipal waste, resource recovery, waste management, zero waste index

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Authors: Monika Rawat, Rahul Kumar

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Input output Buffer Information Specification (IBIS) models are used for describing the analog behavior of the Input Output (I/O) buffers of a digital device. They are widely used to perform signal integrity analysis. Advantages of using IBIS models include simple structure, IP protection and fast simulation time with reasonable accuracy. As design complexity of driver and receiver increases, capturing exact behavior from transistor level model into IBIS model becomes an essential task to achieve better accuracy. In this paper, an improvement in existing methodology of generating IBIS model for complex I/O interfaces such as Inter-Integrated Circuit (I2C) and Low Voltage Differential Signaling (LVDS) is proposed. Furthermore, the accuracy and computational performance of standard method and proposed approach with respect to SPICE are presented. The investigations will be useful to further improve the accuracy of IBIS models and to enhance their wider acceptance.

Keywords: IBIS, signal integrity, open-drain buffer, low voltage differential signaling, behavior modelling, transient simulation

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Authors: Xinrui Zhao

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Connective actions acquired a completely different outlook of a social movement which credited with the rapid developed of social media technologies. New social movements amalgamate and mobilize around hashtags, memes, and personalized action frames. In 2017, the #MeToo movements from America spread to a variety of countries as a hashtag on social media. It attempted to demonstrate the widespread prevalence of sexual assault and harassment movement. It also encouraged Chinese women to participate by devoting and contributing their voices and acts. Furthermore, China’s #MeToo movement shows certain characteristics which are strongly shaped by particular political and cultural backgrounds, that also need to be studied. This paper serves as supplementary materials of connective action studies by addressing the #MeToo movement issues in China, which is rarely mentioned previously in the literature, it also supports a view that suggests that ideological and cultural drivers both strategically contribute to personalized action frames. This paper combines textual analysis methods, collecting attached materials from search engines in China’s social media, portrays the structure of China’s #MeToo movements by showing prominent activists, scholars, organization and the public’s action frame in China’s social media(Weibo, wechat, zhihu, douban). In doing so, it seeks to find how China’s #MeToo movements are organized and reveal diversities of social action approaches among those three subjects, digs out the correlations of their actions related to different social media platforms. This analysis suggests that while facing the government's censorship and moral judgments from the public, China’s #MeToo movement combines with few influential sexual assault and harassment events and is lead by the prominent activists who also are the victims in the events. The debates and critiques among Chinese scholars concerned the outcomes and significance of China’s #MeToo movement are divided into sides. Organizations still show less power in participating China’s movement social media. Public’s participation is varied of platforms which hugely affected by their personal experiences and knowledge.

Keywords: connective action, China, MeToo movement, social media

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Authors: M. A. Ashour

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As it is known Egypt is one of the countries having oldest sugarcane industry, which goes back to the year 710 AD. Cane plantations are the main agricultural product in five governorates in Upper Egypt (El-Menia, Sohag, Qena, Luxor, and Aswan), producing not less than 16 million tons a year. Eight factories (Abou-korkas, Gena, Nagaa-Hamadi, Deshna, Kous, Armant, Edfuo, and Komombo), located in such upper Egypt governorates generates huge amount of wastes during the manufacturing stage, the so called bagasse which is the fibrous, and cellulosic materials remaining after the era of the sugarcane and the juice extraction, presents about 30% of such wastes. The amount of bagasse generated yearly through the manufacturing stage of the above mentioned 8 factories is approximately about 2.8 million tons, getting red safely of such huge amount, presents a serious environmental problem. Storage of that material openly in the so hot climate in upper Egypt, may cause its self-ignition under air temperature reaches 50 degrees centigrade in summer, due to the remained residual content of sugar. At the same time preparing places for safely storage for such amount is very expensive with respect to the valueless of it. So the best way for getting rid of bagasse is converting it into an added value environmentally friendly material, especially till now the utilization of it is so limited. Since oil pollution became a serious concern, the issue of environmental cleaning arises. With the structure of sugarcane bagasse, which contains fiber and high content of carbon, it can be an adsorbent to adsorb the oil contamination from the water. The present study is a trail to introduce a new material for the purification of water systems to score two goals at once, the first is getting rid of that harmful waste safely, the second is converting it to a commercial valuable material for cleaning, and purifying the water from oil spills, and petroleum pollution. Introduced the new material proved very good performance, and higher efficiency than other similar materials available in the local market, in both closed and open systems. The introduced modified material can absorb 10 times its weight of oil, while don't absorb any water.

Keywords: environment, water resources, agricultural wastes, oil pollution control, sugarcane

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

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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

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Authors: P. S. Jagadeesh Kumar, Mingmin Pan, Yang Yung, Tracy Lin Huan

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Glaucoma is a group of visual maladies represented by the scheduled optic nerve neuropathy; means to the increasing dwindling in vision ground, resulting in loss of sight. In this paper, a novel support vector machine based retinal therapeutic for glaucoma using machine learning algorithm is conservative. The algorithm has fitting pragmatism; subsequently sustained on correlation clustering mode, it visualizes perfect computations in the multi-dimensional space. Support vector clustering turns out to be comparable to the scale-space advance that investigates the cluster organization by means of a kernel density estimation of the likelihood distribution, where cluster midpoints are idiosyncratic by the neighborhood maxima of the concreteness. The predicted planning has 91% attainment rate on data set deterrent on a consolidation of 500 realistic images of resolute and glaucoma retina; therefore, the computational benefit of depending on the cluster overlapping system pedestal on machine learning algorithm has complete performance in glaucoma therapeutic.

Keywords: machine learning algorithm, correlation clustering mode, cluster overlapping system, glaucoma, kernel density estimation, retinal therapeutic

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Authors: Lidya Hailu, Ramesh Duraisamy, Masood Akhtar Khan, Belete Yilma

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Disposable food packaging is a single-use plastics that can include any disposable plastic item which could be designed and use only once. In this context, this study aimed to prepare and evaluate bioplastic food packaging material from avocado seed starch and sugarcane bagasse cellulose and to characterise avocado seed starch. Performed the physicomechanical, structural, thermal properties, and biodegradability of raw materials and readily prepared bioplastic using the universal tensile testing machine, FTIR, UV-Vis spectroscopy, TGA, XRD, and SEM. Results have shown that an increasing amount of glycerol (3-5 mL) resulted in increases in water absorption, density, water vapor permeability, and elongation at the break of prepared bioplastic. However, it causes decreases in % transmittance, thermal degradation, and the tensile strength of prepared bioplastic. Likewise, the addition of cellulose fiber (0-15 %) increases % transmittance ranged (91.34±0.12-63.03±0.05 %), density (0.93±0.04-1.27±0.02 g/cm3), thermal degradation (310.01-321.61°C), tensile strength (2.91±6.18-4.21±6.713 MPa) of prepared bioplastic. On the other hand, it causes decreases in water absorption (14.4±0.25-9.40±0.007 %), water vapor permeability (9.306x10-12±0.3-3.57x10-12±0.15 g•s−1•m−1•Pa−1) and elongation at break (34.46±3.37-27.63±5.67 %) of prepared bioplastic. All the readily prepared bioplastic films rapidly degraded in the soil in the first 6 days and decompose within 12 days with a diminutive leftover and completely degraded within 15 days under an open soil atmosphere. Studied results showed starch derived bioplastic reinforced with 15 % cellulose fiber that plasticized with 3 mL of glycerol had improved results than other combinations of glycerol and bagasse cellulose with avocado seed starch. Thus, biodegradable disposable food packaging cup has been successfully produced in the lab-scale level using the studied approach. Biodegradable disposable food packaging materials have been successfully produced by employing avocado seed starch and sugarcane bagasse cellulose. The future study should be done on nano scale production since this study was done at the micro level.

Keywords: avocado seed, food packaging, glycerol, sugarcane bagasse

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Authors: Iraj Rezaei, Kamal Al Din Niknami

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Tapeh Zagheh is an important prehistoric site located in the central plateau of Iran, which has settlement layers of the Neolithic and Chalcolithic periods. For this research, 38 soil samples were collected from different parts of the site, as well as two samples from its outside as witnesses. Then the samples were analyzed by XRF. The purpose of this research was to identify some places with special usage for human activities in Tapeh Zagheh by measuring the amount of some special elements in the soil. The result of XRF analysis shows a significant amount of P and K in samples No.3 (fourth floor) and No.4 (third floor), probably due to certain activities such as food preparation and consumption. Samples No.9 and No.10 can be considered suitable examples of the hearths of the prehistoric period in the central plateau of Iran. The color of these samples was completely darkened due to the presence of ash, charcoal, and burnt materials. According to the XRF results, the soil of these hearths has very high amounts of elements such as P, Ca, Mn, S, K, and significant amounts of Ti, Fe, and Na. In addition, the elemental composition of sample No. 14, which was taken from a home waster, also has very high amounts of P, Mn, Mg, Ti, and Fe and high amounts of K and Ca. Sample No. 11, which is related to soil containing large amounts of waster of the kiln, along with a very strong increase in Cl and Na, the amount of elements such as K, Mg, and S has also increased significantly. It seems that the reason for the increase of elements such as Ti and Fe in some Tapeh Zagheh floors (for example, samples number 1, 2, 3, 4, 5) was the use of materials such as ocher mud or fire ash in the composition of these floors. Sample No. 13, which was taken from an oven located in the FIX trench, has very high amounts of Mn, Ti, and Fe and high amounts of P and Ca. Sample No. 15, which is related to House No. VII (probably related to a pen or a place where animals were kept) has much more phosphate compared to the control samples, which is probably due to the addition of animal excrement and urine to the soil. Sample No. 29 was taken from the north of the industrial area of Zagheh village (place of pottery kilns). The very low amount of index elements in sample No. 29 shows that the industrial activities did not extend to the mentioned point, and therefore, the range of this point can be considered as the boundary between the residential part of the Zagheh village and its industrial part.

Keywords: prehistory, multi-elemental analysis, Tapeh Zagheh, XRF

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Authors: Kamalendu Pal

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This paper describes the main features of a knowledge-based system evaluation method. System evaluation is placed in the context of a hybrid legal decision-support system, Advisory Support for Home Settlement in Divorce (ASHSD). Legal knowledge for ASHSD is represented in two forms, as rules and previously decided cases. Besides distinguishing the two different forms of knowledge representation, the paper outlines the actual use of these forms in a computational framework that is designed to generate a plausible solution for a given case, by using rule-based reasoning (RBR) and case-based reasoning (CBR) in an integrated environment. The nature of suitability assessment of a solution has been considered as a multiple criteria decision making process in ASHAD evaluation. The evaluation was performed by a combination of discussions and questionnaires with different user groups. The answers to questionnaires used in this evaluations method have been measured as a combination of linguistic variables, fuzzy numbers, and by using defuzzification process. The results show that the designed evaluation method creates suitable mechanism in order to improve the performance of the knowledge-based system.

Keywords: case-based reasoning, fuzzy number, legal decision-support system, linguistic variable, rule-based reasoning, system evaluation

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Authors: Congping Lin

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Intracellular transport in fungi has a number of important roles in, e.g., filamentous fungal growth and cellular metabolism. Two basic mechanisms for intracellular transport are motor-driven trafficking along microtubules (MTs) and diffusion. Mathematical modelling has been actively developed to understand such intracellular transport and provide unique insight into cellular complexity. Based on live-cell imaging data in Ustilago hyphal cells, probabilistic models have been developed to study mechanism underlying spatial organization of molecular motors and organelles. In particular, anther mechanism - stochastic motility of dynein motors along MTs has been found to contribute to half of its accumulation at hyphal tip in order to support early endosome (EE) recycling. The EE trafficking not only facilitates the directed motion of peroxisomes but also enhances their diffusive motion. Considering the importance of spatial organization of early endosomes in supporting peroxisome movement, computational and experimental approaches have been combined to a whole-cell level. Results from this interdisciplinary study promise insights into requirements for other membrane trafficking systems (e.g., in neurons), but also may inform future 'synthetic biology' studies.

Keywords: intracellular transport, stochastic process, molecular motors, spatial organization

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Authors: Zineb Ouahdi

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Spirocyclic compound derivatives, with their unique heterocyclic motifs, serve as a continual source of inspiration in the pursuit of developing potential therapeutic agents. These compounds are diverse in their chemical structures; some have fully saturated skeletons, while others are partially unsaturated. Nevertheless, these compounds share a characteristic feature with natural products - the presence of at least one heteroatom in one of their rings. The inclusion of a C = O dipolarophile in pyridazinones imparts an exciting aspect for 1,3-dipolar cycloaddition reactions, the focal point of our study. Our research has involved a detailed theoretical investigation of the reaction between ethyl (Z)-2-bromo-2-(2-(p-tolyl)hydrazono)acetate and 6-methyl-4,5-dihydropyridazine-3(2H)-one. This has been accomplished using the DFT/B3LYP/6-31g(d,p) method, intending to illuminate the chemical pathway of this reaction. The chemical reactivity theories we used for this purpose included FMO, TS, and local and global indices derived from conceptual DFT. The theoretical framework outlined in this study allowed us to propose a reaction mechanism for cycloaddition reactions. It also enabled the identification of the potential activities of the analyzed compounds (P1, P2, P3, P4, P5, and P6) against the major protease of the coronavirus disease (COVID-19). This was achieved using various computational tools, including AutoDock Tools, Autodock Vina, Autodock 4, and PYRX.

Keywords: MEDT, pyridazin, cycloaddition, FMO, DFT, docking

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Authors: Siamak Dawazdah Emami, Amin Khodaei, Harith Bin Ahmad, Hairul A. Adbul-Rashid

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The Fano resonance effect on plasmonic nanoparticle materials results in such materials possessing a number of unique optical properties, and the potential applicability for sensing, nonlinear devices and slow-light devices. A Fano resonance is a consequence of coherent interference between superradiant and subradiant hybridized plasmon modes. Incident light on subradiant modes will initiate excitation that results in superradiant modes, and these superradient modes possess zero or finite dipole moments alongside a comparable negligible coupling with light. This research work details the derivation of an electrodynamics coupling model for the interaction of dipolar transitions and radiation via plasmonic nanoclusters such as quadrimers, pentamers and heptamers. The directivity calculation is analyzed in order to qualify the redirection of emission. The geometry of a configured array of nanostructures strongly influenced the transmission and reflection properties, which subsequently resulted in the directivity of each antenna being related to the nanosphere size and gap distances between the nanospheres in each model’s structure. A well-separated configuration of nanospheres resulted in the structure behaving similarly to monomers, with spectra peaks of a broad superradiant mode being centered within the vicinity of 560 nm wavelength. Reducing the distance between ring nanospheres in pentamers and heptamers to 20~60 nm caused the coupling factor and charge distributions to increase and invoke a subradiant mode centered within the vicinity of 690 nm. Increasing the outside ring’s nanosphere distance from the centered nanospheres caused the coupling factor to decrease, with the coupling factor being inversely proportional to cubic of the distance between nanospheres. This phenomenon led to a dramatic decrease of the superradiant mode at a 200 nm distance between the central nanosphere and outer rings. Effects from a superradiant mode vanished beyond a 240 nm distance between central and outer ring nanospheres.

Keywords: fano resonance, optical antenna, plasmonic, nano-clusters

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Authors: Shu Yin, Zhiyang Ding, Jianzhong Huang, Xiaojun Ruan, Xiaomin Zhu, Xiao Qin

Abstract:

Since large-scale and data-intensive applications have been widely deployed, there is a growing demand for high-performance storage systems to support data-intensive applications. Compared with traditional storage systems, next-generation systems will embrace dedicated processor to reduce computational load of host machines and will have hybrid combinations of different storage devices. The advent of flash- memory-based solid state disk has become a critical role in revolutionizing the storage world. However, instead of simply replacing the traditional magnetic hard disk with the solid state disk, it is believed that finding a complementary approach to corporate both of them is more challenging and attractive. This paper explores an idea of active storage, an emerging new storage configuration, in terms of the architecture and design, the parallel processing capability, the cooperation of other machines in cluster computing environment, and a disk configuration, the hybrid combination of different types of disk drives. Experimental results indicate that the proposed HcDD achieves better I/O performance and longer storage system lifespan.

Keywords: arallel storage system, hybrid storage system, data inten- sive, solid state disks, reliability

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Authors: Chayanika Hazarika Bordoloi

Abstract:

This paper is an attempt to work on a highly inflectional language called Assamese. This is also one of the national languages of India and very little has been achieved in terms of computational research. Building a language processing tool for a natural language is not very smooth as the standard and language representation change at various levels. This paper presents inflectional suffixes of Assamese verbs and how the statistical tools, along with linguistic features, can improve the tagging accuracy. Conditional random fields (CRF tool) was used to automatically tag and train the text data; however, accuracy was improved after linguistic featured were fed into the training data. Assamese is a highly inflectional language; hence, it is challenging to standardizing its morphology. Inflectional suffixes are used as a feature of the text data. In order to analyze the inflections of Assamese word forms, a list of suffixes is prepared. This list comprises suffixes, comprising of all possible suffixes that various categories can take is prepared. Assamese words can be classified into inflected classes (noun, pronoun, adjective and verb) and un-inflected classes (adverb and particle). The corpus used for this morphological analysis has huge tokens. The corpus is a mixed corpus and it has given satisfactory accuracy. The accuracy rate of the tagger has gradually improved with the modified training data.

Keywords: CRF, morphology, tagging, tagset

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Authors: Nissar Mohammad Karim, Norhayati Soin

Abstract:

To ensure fast switching in high-K incorporated Complementary Metal Oxide Semiconductor (CMOS) transistors, the results on the basis of d (NBTI) by incorporating SiO2 dielectric with aged samples of CuO sol-gels have been reported. Precursor ageing has been carried out for 4 days. The minimum obtained refractive index is 1.0099 which was found after 3 hours of adhesive UV curing. Obtaining a low refractive index exhibits a low dielectric constant and hence a faster system.

Keywords: refractive index, sol-gel, precursor ageing, metallurgical and materials engineering

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Authors: Mohamed Z. M. Duwahir, Shian Gao

Abstract:

The main objective of this project was to introduce and test a new scheme for parameterization of subsonic aerofoil, using a function called Shape Function. Python programming was used to create a user interactive environment for geometry generation of aerofoil using NACA and Shape Function methodologies. Two aerofoils, NACA 0012 and NACA 1412, were generated using this function. Testing the accuracy of the Shape Function scheme was done by Linear Square Fitting using Python and CFD modelling the aerofoil in Fluent. NACA 0012 (symmetrical aerofoil) was better approximated using Shape Function than NACA 1412 (cambered aerofoil). The second part of the project involved comparing two turbulent models, k-ε and Spalart-Allmaras (SA), in Fluent by modelling the aerofoils NACA 0012 and NACA 1412 in conditions of Reynolds number of 3 × 106. It was shown that SA modelling is better for aerodynamic purpose. The experimental coefficient of lift (Cl) and coefficient of drag (Cd) were compared with empirical wind tunnel data for a range of angle of attack (AOA). As a further step, this project involved drawing and meshing 3D wings in Gambit. The 3D wing flow was solved and compared with 2D aerofoil section experimental results and wind tunnel data.

Keywords: CFD simulation, shape function, turbulent modelling, aerofoil

Procedia PDF Downloads 358

Authors: Nastaran Hazrati, Ali Akbar Miran Beigi, Majid Abdouss, Amir Vahid

Abstract:

Hydrogen sulfide is the most toxic gas of crude oil. Adsorption is an energy-efficient process used to remove undesirable compounds such as H2S in gas or liquid streams by passing the stream through a media bed composed of an adsorbent. In this study, H2S of Iran crude oil was separated via cold stripping then zinc incorporated MCM-41 was synthesized via an in-situ method. ZnO functionalized mesoporous silica samples were characterized by XRD, N2 adsorption and TEM. The obtained results of adsorption of H2S showed superior ability of all the materials and with an increase in ZnO amount adsorption was increased.

Keywords: MCM-41, ZnO, H2S removal, adsorption

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Authors: Omar Asad Ahmad, Mohammed Awwad

Abstract:

Concrete is one of the essential elements that used in different types of construction these days, but it has many problems when interacts with environmental elements such as water, air, temperature, dust, and humidity. Also concrete made with Portland cement has certain characteristics: it is relatively strong in compression but weak in tension and tends to be brittle. These disadvantages make concrete limited to use in certain conditions. The most common problems appears on concrete are manifested by tearing, cracking, corrosion and spalling, which will lead to do some defect in concrete then in the whole construction, The fundamental objective of this research was to provide information about the hardened properties of concrete achieved by using easily available local raw materials in Jordan to support the practical work with partners in assessing the practicability of the mixes with polypropylene, and to facilitate the introduction of polypropylene fiber concrete (PFC) technology into general construction practice. Investigate the effect of the polypropylene fibers in PCC mixtures and on materials properties such as compressive strength, and tensile strength. Also to investigate the use of polypropylene fibers in plain cubes and cylindrical concrete to improve its compressive and tensile strengths to reduce early cracking and inhibit later crack growth. Increasing the hardness of concrete in this research is the main purpose to measure the deference of compressive strength and tensile strength between plain concrete and concrete mixture with polypropylene fibers different additions and to investigate its effect on reducing the early and later cracking problem. To achieve the goals of research 225 concrete test sample were prepared to measure it’s compressive strength and tensile strength, the concrete test sample were three classes (A,B,C), sub-classified to standard , and polypropylene fibers added by the volume of concrete (5%, 10%, 15%, and 20%). The investigation of polypropylene fibers mixture with concrete shows that the strengths of the cement are increased and the cracking decreased. The results show that for class A the recommended addition were 5% of polypropylene fibers additions for compressive strength and 10 % for tensile strength revels the best compressive strength that reach 26.67 Mpa and tensile strength that reach 2.548 Mpa records. Achieved results show that for classes B and C the recommend additions were 10 % polypropylene fibers revels the best compressive strength records where they reach 21.11 and 33.78 Mpa, records reach for tensile strength 2.707 and 2.65 Mpa respectively.

Keywords: polypropylene, effects, compressive, tensile, strengths, concrete, construction

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Authors: Bahamin Bazooyar, Xinyan Wang, Hua Zhao

Abstract:

As a zero-carbon fuel, hydrogen can be used in combustion engines to avoid carbon emissions. This paper numerically investigates the engine performance of a two-stroke opposed piston hydrogen engine by using three-dimensional (3D) Computational Fluid Dynamics (CFD) simulations. The engine displacement is 12.2 cm, and the compression ratio of 39. RANS simulations with the k-ε turbulence model and coupled chemistry combustion models are performed at an engine speed of 4500 rpm and hydrogen flow rate of up to 100 gr/s. In order to model the hydrogen injection process, the hydrogen nozzle was meshed with refined mesh, and injection pressure varied between 100 and 200 bars. In order to optimize the hydrogen combustion process, the injection timing was optimized between 15 before the top dead center and 10. The results showed that the combustion efficiency was mostly influenced by the injection pressures due to its impact on the fuel/air mixing and charge inhomogeneity. Nitrogen oxide (NOₓ) emissions are well correlated with engine peak temperatures, demonstrating that the thermal NO mechanism is dominant under engine conditions. Through the optimization of hydrogen injection timing and pressure, the peak thermal efficiency of 45 and NOx emission of 15 ppm/kWh can be achieved at an injection timing of 350 CA and pressure of 160 bars.

Keywords: engine, hydrogen, diesel, two-stroke, opposed-piston, decarbonisation

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Authors: Rajashekar Badam, Vedarajan Raman, Noriyoshi Matsumi

Abstract:

Efficiency of energy converting and storage systems like fuel cells and Li-Air battery principally depended on oxygen reduction reaction (ORR) which occurs at cathode. As the kinetics of the ORR is very slow, it becomes the rate determining step. Exploring carbon substrates for enhancing the dispersion and activity of the metal catalyst and commercially viable simple preparation method is a very crucial area of research in the field of energy materials. Hence, many researchers made large number of carbon-based ORR materials today. But, there are hardly few studies on the effect of interaction between Pt-carbon and carbon-electrolyte on activity. In this work, we have prepared functionalized carbon-based Pt catalyst (Pt-FAB) with enhanced interfacial properties that lead to efficient ORR catalysis. The present work deals with a single-pot method to exfoliate and functionalized acetylene black with enhanced interaction with Pt as well as electrolyte. Acetylene black was functionalized and exfoliated using a facile single pot acid treatment method. The resulted FAB was further decorated with Pt-nano particles (Pt-np). The TEM images of Pt-FAB with uniformly decorated Pt-np of ~3 nm. Further, XPS studies of Pt 4f peak revealed that Pt0 peak was shifted by 0.4 eV in Pt-FAB compared to binding energy of typical Pt⁰ found in Pt/C. The shift can be ascribed to the modulation of electronic state and strong electronic interaction of Pt with carbon. Modulated electronic structure of Pt and strong electronic interaction of Pt with FAB enhances the catalytic activity and durability respectively. To understand the electrode electrolyte interface, electrochemical impedance spectroscopy was carried out. These measurements revealed that the charge transfer resistance of electrode to electrolyte for Pt-FAB is 10 times smaller than that of conventional Pt/C. The interaction with electrolyte helps reduce the interface boundaries, which in turn affects the overall catalytic performance of the electrode. Cyclic voltammetric measurements in 0.1M HClO₄ aq. at a potential scan rate of 50 mVs-1 was employed to evaluate electrochemical surface area (ECSA) of Pt. ECSA of Pt-FAB was found to be as high as 67.2 m²g⁻¹. The three-electrode system showed very high ORR catalytic activity. Mass activity at 0.9 V vs. RHE showed 460 A/g which is much higher than the DOE target values for the year 2020. Further, it showed enhanced performance by showing 723 mW/cm² of highest power density and 1006 mA/cm² of current density at 0.6 V in fuel cell single cell type configuration and 1030 mAhg⁻¹ of rechargeable capacity in Li air battery application. The higher catalytic activity can be ascribed to the improved interaction of FAB with Pt and electrolyte. The aforementioned results evince that Pt-FAB will be a promising cathode material for efficient ORR with significant cyclability for its application in fuel cells and Li-Air batteries. In conclusion, a disordered material was prepared from AB and was systematically characterized. The extremely high ORR activity and ease of preparation make it competent for replacing commercially available ORR materials.

Keywords: functionalized acetylene black, oxygen reduction reaction, fuel cells, Functionalized battery

Procedia PDF Downloads 108

Authors: Mahoud Alfama, Meloud Yones, Abdelbaset Zroga, Abdelati Elalem

Abstract:

Electrospinning has been recognized as an efficient technique for the fabrication of polymer nanofibers. Various polymers have been successfully electrospun into ultrafine fibers in recent years mostly in solvent solution and some in melt form. Potential applications based on such fibers specifically their use as reinforcement in nanocomposite development have been realized. In this paper we examine -electrospinning by providing a brief description of the theory behind the process examining the effect of changing the process parameters on fiber morphology, and discussing the potential applications and impacts of electrospinning on the field of tissue engineering.

Keywords: nanotechnology, electro spinning, reinforced materials

Procedia PDF Downloads 289

Authors: Maedeh Rahimnejad, Bahman Vahidi, Bahman Ebrahimi Hoseinzadeh, Fatemeh Yazdian, Puria Motamed Fath, Roghieh Jamjah

Abstract:

Introduction: The intensive labor and high cost of developing new vehicles for controlled drug delivery highlights the need for a change in their discovery process. Computational models can be used to accelerate experimental steps and control the high cost of experiments. Methods: In this work, to better understand the interaction of anti-cancer drug and the nanocarrier with the cell membrane, we have done molecular dynamics simulation using NAMD. We have chosen paclitaxel for the drug molecule and dipalmitoylphosphatidylcholine (DPPC) as a natural phospholipid nanocarrier. Results: Next, center of mass (COM) between molecules and the van der Waals interaction energy close to the cell membrane has been analyzed. Furthermore, the simulation results of the paclitaxel interaction with the cell membrane and the interaction of DPPC as a nanocarrier loaded by the drug with the cell membrane have been compared. Discussion: Analysis by molecular dynamics (MD) showed that not only the energy between the nanocarrier and the cell membrane is low, but also the center of mass amount decreases in the nanocarrier and the cell membrane system during the interaction; therefore they show significantly better interaction in comparison to the individual drug with the cell membrane.

Keywords: anti-cancer drug, center of mass, interaction energy, molecular dynamics simulation, nanocarrier

Procedia PDF Downloads 299