Search results for: sign structure

Authors: Hooman Mehdizadeh Rad, Jai Singh

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Organic solar cells (OSCs) have been actively investigated in the last two decades due to their several merits such as simple fabrication process, low-cost manufacturing, and lightweight. In this paper, using the optical transfer matrix method (OTMM) and solving the drift-diffusion equations processes of recombination are studied in inverted and conventional bulk heterojunction (BHJ) OSCs. Two types of recombination processes are investigated: 1) recombination of free charge carriers using the Langevin theory and 2) of trapped charge carriers in the tail states with exponential energy distribution. These recombination processes are incorporated in simulating the current- voltage characteristics of both conventional and inverted BHJ OSCs. The results of this simulation produces a higher power conversion efficiency in the inverted structure in comparison with conventional structure, which agrees well with the experimental results.

Keywords: conventional organic solar cells, exponential tail state recombination, inverted organic solar cells, Langevin recombination

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Authors: Desta Gebretekle Shiferaw, Balakrishna Kalluraya

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Pyrazole is an aromatic five-membered heterocycle with two nitrogen and three carbon atoms in its ring structure. According to the literature, pyrazoline, pyrazole, and thiazole-containing moieties are found in various drug structures and are responsible for nearly all pharmacological effects. The pyrazoline linked to pyrazole moiety carbothioamides was synthesized via the reaction of pyrazole-bearing chalcones (3-(5-chloro-3-methyl-¹-phenyl-1H-pyrazol-4-yl)-¹-(substituted aryl) prop-2-ene-¹-one derivatives) with a nucleophile thiosemicarbohyrazide by heating in ethanol using fused sodium acetate as a catalyst. Then the carbothioamide derivatives were converted into the pyrazoline hybrid to pyrazole and thiazole derivatives by condensing with substituted phenacyl bromide in alcohol in a basic medium. Next, the chemical structure of the newly synthesized molecules was confirmed by IR, 1H-NMR, and mass spectral data. Further, they were screened for their in vitro antioxidant activity. Compared to butylated hydroxy anisole (BHA)., the antioxidant data showed that the synthesized compounds had good to moderate activity.

Keywords: pyrazoline-pyrazole carbothioamide derivatives, pyrazoline-pyrazole-thiazole derivatives, spectral studies, antioxidant activity

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Authors: Mohammad Derakhshani, Saeed Reza Allahkaram, Michael Isakani-Zakaria, Masoud Samadian, Hojat Sharifi Rasaey

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Dynamic stray currents tend to change their magnitude and polarity with time at their source which will create anodic and cathodic spots on a nearby interfered structure. To date, one of the biggest known dynamic stray current sources are DC traction systems. Laboratory simulation is a suitable method to apply theoretical principles in order to identify effective parameters in dynamic stray current influenced corrosion. Simulation techniques can be utilized for various mitigation methods applied in a small scales for selection of the most efficient method with regards to field applications. In this research, laboratory simulation of potential fluctuations caused by dynamic stray current on a cathodically protected structure was investigated. A lab model capable of generating DC static and dynamic stray currents and simulating its effects on cathodically protected samples were developed based on stray current induced (contact-less) polarization technique. Stray current pick-up and discharge spots on an influenced structure were simulated by inducing fluctuations in the sample’s stationary potential. Two mitigation methods for dynamic stray current interference on buried structures namely application of sacrificial anodes as preferred discharge point for the stray current and potentially controlled cathodic protection was investigated. Results showed that the application of sacrificial anodes can be effective in reducing interference only in discharge spot. But cathodic protection through potential controlling is more suitable for mitigating dynamic stray current effects.

Keywords: simulation, dynamic stray current, fluctuating potentials, sacrificial anode

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Authors: Ke Wang, Zhu Wang

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Coordinating and promoting urban and rural development has been a new round of institutional change in Zhejiang province since 2004. And this plan was fully implemented, which showed that the isolation between the urban and rural areas had gradually diminished. Little by little, an infiltration interface that is dynamic, flexible and interactive is formed, and this morphological structure starts to appear on the landscape form in the surrounding villages. In order to study the specific function and formation of the structure in the context of industrial revolution, Bimen village located on the interface between Anji Township, Huzhou and Yuhang District, Hangzhou is taken as the case. Anji township is in the cross area between Yangtze River delta economic circle and innovation center in Hangzhou. Awarded with ‘Chinese beautiful village’, Bimen has witnessed the growing process of infiltration in ecology, economy, technology and culture on the interface. Within the opportunity, Bimen village presents internal reformation to adapt to the energy exchange with urban areas. In the research, the reformation is to adjust the industrial structure, to upgrade the local special bamboo crafts, to release space for activities, and to establish infrastructures on the interface. The characteristic of an interface is elasticity achieved by introducing an Internet platform using ‘O2O’ agriculture method to connect cities and farmlands. There is a platform of this kind in Bimen named ‘Xiao Mei’. ‘Xiao’ in Chinese means small, ‘Mei’ means beautiful, which indicates the method to refine the landscape form. It turns out that the new agriculture mode will strengthen the interface by orienting the Third Party Platform upon the old dynamic basis and will bring new vitality for economy development in Bimen village. The research concludes opportunities and challenges generated by the evolution of the infiltration interface. It also proposes strategies for how to organically adapt to the urbanization process. Finally it demonstrates what will happen by increasing flexibility in the landscape forms of suburbs in the Bimen village.

Keywords: Bimen village, infiltration interface, flexibility, suburban landscape form

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Authors: Kars Beek, Remco Groeneveld, Sjaak Brinkkemper

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Although there is much literature available on requirement documentation in traditional software development, few studies have been conducted about this topic in open source software development. While open-source software development is becoming more important, the software development processes are often not as structured as corporate software development processes. Papers show that communities, creating open-source software, often lack structure and documentation. However, most recent studies about this topic are often ten or more years old. Therefore, this research has been conducted to determine if the lack of structure and documentation in requirement engineering is currently still the situation in these communities. Three open-source products have been chosen as subjects for conducting this research. The data for this research was gathered based on interviews, observations, and analyses of feature proposals and issue tracking tools. In this paper, we present a comparison and an analysis of the different methods used for requirements documentation to understand the current practices of requirements documentation in open source software development.

Keywords: case study, open source software, open source software development, requirement elicitation, requirement engineering

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Authors: Saiyeed Jakaria Baksh Imran

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The earth is being endangered by many of the climate related issues today. The most serious issue for the world today is the global warming. Increase in Greenhouse gas (GHG) emissions post-industrial revolution period is the prime reason for global warming. Shipping is the fifth largest GHG emitting sector worldwide. The key reason for this is because, over 90% of the world trade is conducted through ocean as the ocean alone covers 70% of the earth surface. While the countries continue to develop, trade and commerce continue to increase between them simultaneously. However, there is no sign of reduction in GHG emission from shipping because of many concerned issues. Firstly, there is technological barrier for which ships cannot just become environment friendly immediately. Secondly, there is no alternative fuel available as well. Thirdly, there is no proper mechanism to measure how much ships emit as emission from ships vary according to the size, engine type and loading capacity of ships. The International Maritime Organization (IMO) being the governing body of the international shipping has implemented MARPOL Annex VI. However, the policy alone is not enough unless there is a proper data available regarding ship emissions, which the IMO is yet to figure out. This paper will present a critical analysis of existing IMO policies such as the Energy Efficiency Design Index (EEDI), Ship Energy Efficiency Management Plan (SEEMP), Data Collection System (SEEMP) and the IMO’s Initial Strategy on Reduction of Greenhouse Gas emissions from shipping. Also, the challenges exist in implementing such policies have been presented in the paper.

Keywords: GHG, IMO, EEDI, SEEMP, DCS, greenhouse gas, decarbonization, shipping

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Authors: William L. Whitehouse, Louisa H. Y. Lo, Andrew B. Kinghorn, Simon C. C. Shiu, Julian. A. Tanner

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C-reactive protein (CRP) is an acute-phase reactant and sensitive indicator for sepsis and other life-threatening pathologies, including systemic inflammatory response syndrome (SIRS). Currently, clinical turn-around times for established CRP detection methods take between 30 minutes to hours or even days from centralized laboratories. Here, we report the development of an electrochemical biosensor using redox probe-tagged DNA aptamers functionalized onto cheap, commercially available screen-printed electrodes. Binding-induced conformational switching of the CRP-targeting aptamer induces a specific and selective signal-ON event, which enables single-step and reagentless detection of CRP in as little as 1 minute. The aptasensor dynamic range spans 5-1000nM (R=0.97) or 5-500nM (R=0.99) in 50% diluted human serum, with a LOD of 3nM, corresponding to 2-orders of magnitude sensitivity under the clinically relevant cut-off for CRP. The sensor is stable for up to one week and can be reused numerous times, as judged from repeated real-time dosing and dose-response assays. By decoupling binding events from the signal induction mechanism, structure-switching electrochemical aptamer-based sensors (SS-EABs) provide considerable advantages over their adsorption-based counterparts. Our work expands on the retinue of such sensors reported in the literature and is the first instance of an SS-EAB for reagentless CRP detection. We hope this study can inspire further investigations into the suitability of SS-EABs for diagnostics, which will aid translational R&D toward fully realized devices aimed at point-of-care applications or for use more broadly by the public.

Keywords: structure-switching, C-reactive protein, electrochemical, biosensor, aptasensor.

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Authors: Natalia Fijol, Aji P. Mathew

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We present the processing and characterisation of three-dimensional (3D) monolith filters based on polylactic acid (PLA) reinforced with various nature-derived nanospecies such as hydroxyapatite, modified cellulose fibers and chitin fibers. The nanospecies of choice were dispersed in PLA through Thermally Induced Phase Separation (TIPS) method. The biocomposites were developed via solvent-assisted blending and the obtained pellets were further single-screw extruded into 3D-printing filaments and processed into various geometries using Fused Deposition Modelling (FDM) technique. The printed prototypes included cubic, cylindrical and hour-glass shapes with diverse patterns of printing infill as well as varying pore structure including uniform and multiple level gradual pore structure. The pores and channel structure as well as overall shape of the prototypes were designed in attempt to optimize the flux and maximize the adsorption-active time. FDM is a cost and energy-efficient method, which does not require expensive tools and elaborated post-processing maintenance. Therefore, FDM offers the possibility to produce customized, highly functional water purification filters with tuned porous structures suitable for removal of wide range of common water pollutants. Moreover, as 3D printing becomes more and more available worldwide, it allows producing portable filters at the place and time where they are most needed. The study demonstrates preparation route for the PLA-based, fully biobased composite and their processing via FDM technique into water purification filters, addressing water treatment challenges on an industrial scale.

Keywords: fused deposition modelling, water treatment, biomaterials, 3D printing, nanocellulose, nanochitin, polylactic acid

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Authors: Girts Bumanis, Diana Bajare

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With demand for primary energy continuously growing, search for renewable and efficient energy sources has been high on agenda of our society. One of the most promising energy sources is biogas technology. Residues coming from dairy industry and milk processing could be used in biogas production; however, low efficiency and high cost impede wide application of such technology. One of the main problems is management and conversion of organic residues through the anaerobic digestion process which is characterized by acidic environment due to the low whey pH (<6) whereas additional pH control system is required. Low buffering capacity of whey is responsible for the rapid acidification in biological treatments; therefore alkali activated material is a promising solution of this problem. Alkali activated material is formed using SiO2 and Al2O3 rich materials under highly alkaline solution. After material structure forming process is completed, free alkalis remain in the structure of materials which are available for leaching and could provide buffer capacity potential. In this research porous alkali activated material was investigated. Highly porous material structure ensures gradual leaching of alkalis during time which is important in biogas digestion process. Research of mixture composition and SiO2/Na2O and SiO2/Al2O ratio was studied to test the buffer capacity potential of alkali activated material. This research has proved that by changing molar ratio of components it is possible to obtain a material with different buffer capacity, and this novel material was seen to have considerable potential for using it in processes where buffer capacity and pH control is vitally important.

Keywords: alkaline material, buffer capacity, biogas production, bioreactors

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Authors: Tahira Pirzada, Zahra Ashrafi, Saad Khan

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We present a facile and sustainable solid templating approach to fabricate highly porous, flexible and superhydrophobic aerogels of composite nanofibers of cellulose diacetate and silica which are produced through sol gel electrospinning. Scanning electron microscopy, contact angle measurement, and attenuated total reflection-Fourier transform infrared spectrometry are used to understand the structural features of the resultant aerogels while thermogravimetric analysis and differential scanning calorimetry demonstrate their thermal stability. These aerogels exhibit a self-supportive three-dimensional network abundant in large secondary pores surrounded by primary pores resulting in a highly porous structure. Thermal crosslinking of the aerogels has further stabilized their structure and flexibility without compromising on the porosity. Ease of processing, thermal stability, high porosity and oleophilic nature of these aerogels make them promising candidate for a wide variety of applications including acoustic and thermal insulation and oil and water separation.

Keywords: hybrid aerogels, sol-gel electrospinning, oil-water separation, nanofibers

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Authors: Ernest Nweke, Enkhtuya Bavuudorj

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The harsh realities of the scandalous failure of several notable corporations in the past two decades have inextricably resulted in a surge in corporate governance studies. Nevertheless, little or no attention has been paid to corporate governance studies in Mongolian firms and much less to the comprehension of the correlation among ownership structure, corporate governance mechanisms and trend of innovative activities. Innovation is the bed rock of enterprise success. However, the funding and support for innovative activities in many firms are to a great extent determined by the incentives provided by the firm’s internal and external governance mechanisms. Mongolia is an East Asian country currently undergoing a fast-paced transition from socialist to democratic system and it is a widely held view that private ownership as against public ownership fosters innovation. Hence, following the privatization policy of Mongolian Government which has led to the transfer of the ownership of hitherto state controlled and state directed firms to private individuals and organizations, expectations are high that sufficient motivation would be provided for firm managers to engage in innovative activities. This research focuses on the relationship between ownership structure, corporate governance on one hand and the level of innovation on the hand. The paper is empirical in nature and derives data from both reliable secondary and primary sources. Secondary data for the study was in respect of ownership structure of Mongolian listed firms and innovation trend in Mongolia generally. These were analyzed using tables, charts, bars and percentages. Personal interviews and surveys were held to collect primary data. Primary data was in respect of corporate governance practices in Mongolian firms and were collected using structured questionnaire. Out of a population of three hundred and twenty (320) companies listed on the Mongolian Stock Exchange (MSE), a sample size of thirty (30) randomly selected companies was utilized for the study. Five (5) management level employees were surveyed in each selected firm giving a total of one hundred and fifty (150) respondents. Data collected were analyzed and research hypotheses tested using Chi-Square test statistic. Research results showed that corporate governance mechanisms were better and have significantly improved overtime in privately held as opposed to publicly owned firms. Consequently, the levels of innovation in privately held firms were considerably higher. It was concluded that a significant and positive relationship exists between private ownership and good corporate governance on one hand and the level of funding provided for innovative activities in Mongolian firms on the other hand.

Keywords: corporate governance, innovation, ownership structure, stock exchange

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Authors: Ammar Z. Alshemary, Zafer Evis

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In this study, nanorods of Cr³⁺/SiO₄⁴⁻ codoped hydroxyapatite (Cr³⁺/SiO₄⁴⁻-HA) were synthesized successfully and rapidly through microwave irradiation technique, using (Ca(NO₃)₂•4H₂O), ((NH₄)₂HPO₄), (SiC₈H₂₀O₄) and (Cr(NO₃)₃.9H₂O) as source materials for Ca²⁺, PO₄³⁻, SiO₄⁴⁻ and Cr³⁺ ions, respectively. The impact of dopants on the phase formation and microstructure of the powders were investigated by means of X-ray diffraction (XRD), Fourier transform infrared spectrum analysis (FT-IR) and Field emission electron microscopy (FESEM) techniques. XRD analysis showed that with an incorporation of Cr³⁺/SiO₄⁴⁻ ions into HA structure resulted in peak broadening and reduced peak height due to the amorphous nature and reduced crystallinity of the resulting HA powder. FTIR spectroscopy revealed the existence of the different vibrational modes matching to phosphates and hydroxyl groups. The FESEM analysis showed a change in the crystal shape from spherical to rod shaped particles upon Cr³⁺ doping into the crystal structure. Acknowledgments: This study was supported by Karabük University (Project no. KBÜBAP-17-YD-144). The authors would like to thank for support.

Keywords: nano-hydroxyapatite, microwave, dopants, characterization, microstructure

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Authors: R. Dakir, J. Zbitou, Ahmed Mouhsen, A. Errkik, A. Tajmouati, M. Latrach

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The design and analysis of a new compact and miniaturized monopole antenna structure for ultra wideband (UWB) wireless applications are presented and suggested in this paper. The proposed antenna structure is based on corner radiator patch with T-shaped slot and fed by mictostrip feed line with a partial ground plane combined a periodic rectangular slot and inverted T-stub tuning to increase the bandwidth. The design parameters and the performance of the suggested antenna are investigated by using 'CST Microwave Studio' and Advanced Design System. The final prototype of the proposed antenna operates from 3GHZ to 25GHz, corresponding to wide input impedance bandwidth around (157.14%) with a size of 16*24mm2 and can be easily integrated with radio-frequency or microwave circuits with low cost manufacturing. Details of the UWB antenna design and both simulated and measured results are described and discussed.

Keywords: UWB, T-shaped slots, improvement, bandwidth, stub tuning

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Authors: Zhuoran Shan, Li Wan, Xianchun Zhang

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With an increasing trend of regionalization and polycentricity in Chinese contemporary big cities, “sub-region life circle” turns to be an effective method on rational organization of urban function and spatial structure. By the method of questionnaire, network big data, route inversion on internet map, GIS spatial analysis and logistic regression, this article makes research on characteristic and formation mechanism of “sub-region life circle” based on human high-probability daily activity in Chinese big cities. Firstly, it shows that “sub-region life circle” has been a new general spatial sphere of residents' high-probability daily activity and mobility in China. Unlike the former analysis of the whole metropolitan or the micro community, “sub-region life circle” has its own characteristic on geographical sphere, functional element, spatial morphology and land distribution. Secondly, according to the analysis result with Binary Logistic Regression Model, the research also shows that seven factors including land-use mixed degree and bus station density impact the formation of “sub-region life circle” most, and then analyzes the index critical value of each factor. Finally, to establish a smarter “sub-region life circle”, this paper indicates that several strategies including jobs-housing fit, service cohesion and space reconstruction are the keys for its spatial organization optimization. This study expands the further understanding of cities' inner sub-region spatial structure based on human daily activity, and contributes to the theory of “life circle” in urban's meso-scale.

Keywords: sub-region life circle, characteristic, formation mechanism, human activity, spatial structure

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Authors: Farid Amidi Fazli, Afshin Babazadeh, Farnaz Amidi Fazli

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In contrast with literal meaning of nano, researchers have been achieving mega adventures in this area and every day more nanomaterials are being introduced to the market. After long time application of fossil-based plastics, nowadays accumulation of their waste seems to be a big problem to the environment. On the other hand, mankind has more attention to safety and living environment. Replacing common plastic packaging materials with degradable ones that degrade faster and convert to non-dangerous components like water and carbon dioxide have more attractions; these new materials are based on renewable and inexpensive sources of starch and cellulose. However, the functional properties of them do not suitable for packaging. At this point, nanotechnology has an important role. Utilizing of nanomaterials in polymer structure will improve mechanical and physical properties of them; nanocrystalline cellulose (NCC) has this ability. This work has employed a chemical method to produce NCC and starch bio nanocomposite containing NCC. X-Ray Diffraction technique has characterized the obtained materials. Results showed that applied method is a suitable one as well as applicable one to NCC production.

Keywords: biofilm, cellulose, nanocomposite, starch

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Authors: Rodrigo Coelho

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We believe that in the majority of the “recent production of public space", the overvaluation of the "image", of the "ephemeral" and of the "objectual", has come to determine the configuration of banal and (more or less) arbitrary "public spaces", mostly linked to a problem of “outdoor decoration”, reflecting a clear sign of uncertainty and arbitrariness about the meaning, the role and shape of public space and public art.This "inconsistency" which is essentially linked to the loss of urban, but also social, cultural and political, vocation of the disciplines that “shape” the urban space (but is also linked to the lack of urban and technical culture of techinicians and policy makers) converted a significant set of the recently built "public space" and “urban art” into diffuse and multi-referenced pieces, which generally shares the inability of confering to the urban space, civic, aesthetic, social and symbolic meanings. In this sense we consider it is essential to undertake a theoretical reflection on the values, the meaning(s) and the shape(s) that open space, and urban art may (or must) take in the current urban and cultural context, in order to redeem for public space its status of significant physical reference, able to embody a spatial and urban identity, and simultaneously enable the collective accession and appropriation of public space. Taking as reference public space interventions built in the last decade on the European context, we will seek to explore and defend the need of considering public space as a true place of exception, an exceptional support where the emphasis is placed on the quality of the experience, especially by the relations public space/urban art can established with the city, with nature and geography in a broad sense, referring us back to a close and inseparable and timeless relationship between nature and culture.

Keywords: art, city, nature, public space

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Authors: Bhaumik Merchant, Ajay Gelot

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Concrete is good in compression but if any type of strain applied to it, it starts to fail. Where the steel is good tension, it can bear the deflection up to its elastic limits. This project is based on behavior of engineered cementitious composited (ECC) when it is replaced with the different amount of Polyvinyl Alcohol (PVA) Fibers. As for research, PVA fibers is used with cementitious up to 2% to evaluate the optimum amount of fiber on which we can find the maximum compressive, tensile and flexural strength. PVA is basically an adhesive which is used to formulate glue. Generally due to excessive loading, cracks develops which concludes to successive damage to the structural component. In research plasticizer is used to increase workability. With the help of optimum amount of PVA fibers, it can limit the crack widths up to 60µm to 100µm. Also can be used to reduce resources and funds for rehabilitation of structure. At the starting this fiber concrete can be double the cost as compare to conventional concrete but as it can amplify the duration of structure, it will be less costlier than the conventional concrete.

Keywords: compressive strength, engineered cementitious composites, flexural strength, polyvinyl alcohol fibers, rehabilitation of structures

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Authors: A. Djahbar, M. Aillerie, E. Bounadja

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In this paper we treat a new structure of a high-power actuator which is used to either industry or electric traction. Indeed, the actuator is constituted by two induction motors, the first is a six-phase motor connected in series with another three-phase motor via the stators. The whole is supplied by a single static converter. Our contribution in this paper is the optimization of the system supply source. This is feeding the multimotor group by a direct converter frequency without using the DC-link capacitor. The modelling of the components of multimotor system is presented first. Only the first component of stator currents is used to produce the torque/flux of the first machine in the group. The second component of stator currents is considered as additional degrees of freedom and which can be used for power conversion for the other connected motors. The decoupling of each motor from the group is obtained using the direct vector control scheme. Simulation results demonstrate the effectiveness of the proposed structure.

Keywords: induction machine, motor drives, scalar modulation technique, three-to-six phase matrix converter

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Authors: Faizan Ahmad, Jenna Wong

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Time lag between peak values of horizontal and vertical seismic waves is a well-known phenomenon. Horizontal and vertical seismic waves, secondary and primary waves in nature respectively, travel through different layers of soil and the travel time is dependent upon the medium of wave transmission. In seismic analysis, many standardized codes do not require the actual vertical acceleration to be part of the analysis procedure. Instead, a factor load addition for a particular site is used to capture strength demands in case of vertical excitation. This study reviews the effects of vertical accelerations to analyze the behavior of a linearly rubber isolated structure in different time lag situations and frequency content by application of historical and simulated ground motions using SAP2000. The response of the structure is reviewed under multiple sets of ground motions and trends based on time lag and frequency variations are drawn. The accuracy of these results is discussed and evaluated to provide reasoning for use of real vertical excitations in seismic analysis procedures, especially for isolated structures.

Keywords: seismic analysis, vertical accelerations, time lag, isolated structures

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Authors: Muhammad N. Khan, Syed O. Gillani, Mohsin Jamil, Tarbia Iftikhar

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With the increasing demand of bandwidth and data rate, there is a dire need to implement antenna systems in mobile phones which are able to fulfill user requirements. A monopole antenna system with multi-antennas configurations is proposed considering the feasibility and user demand. The multi-antenna structure is referred to as multi-input multi-output (MIMO) antenna system. The multi-antenna system comprises of 4 antennas operating below 6 GHz frequency bands for 4G/LTE and 4 antenna for 5G applications at 28 GHz and the dimension of board is 120 × 70 × 0.8mm3. The suggested designs is feasible with a structure of low-profile planar-antenna and is adaptable to smart cell phones and handheld devices. To the best of our knowledge, this is the first design compared to the literature by having integrated antenna system for two standards, i.e., 4G and 5G. All MIMO antenna systems are simulated on commercially available software, which is high frequency structures simulator (HFSS).

Keywords: high frequency structures simulator (HFSS), mutli-input multi-output (MIMO), monopole antenna, slot antenna

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Authors: Nadjib Melkemi, Salah Belaidi

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Quantitative Structure-Activity Relationship (QSAR) studies have been performed on nineteen molecules of 1,2-dithiole-3-thione analogues. The compounds used are the potent inducers of enzymes involved in the maintenance of reduced glutathione pools as well as phase-2 enzymes important to electrophile detoxication. A multiple linear regression (MLR) procedure was used to design the relationships between molecular descriptor and detoxication properties of the 1,2-dithiole-3-thione derivatives. The predictivity of the model was estimated by cross-validation with the leave-one-out method. Our results suggest a QSAR model based of the following descriptors: qS2, qC3, qC5, qS6, DM, Pol, log P, MV, SAG, HE and EHOMO for the specific activity of quinone reductase; qS1, qS2, qC3, qC4, qC5, qS6, DM, Pol, logP, MV, SAG, HE and EHOMO for the production of growth hormone. To confirm the predictive power of the models, an external set of molecules was used. High correlation between experimental and predicted activity values was observed, indicating the validation and the good quality of the derived QSAR models.

Keywords: QSAR, quinone reductase activity, production of growth hormone, MLR

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Authors: Solly M. Seeletse, Joel L. Thabane

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Students enrolling at the Sefako Makgatho Health Sciences University (SMU) come mostly from the previously disadvantaged communities of South Africa. Their backgrounds are deprived in resources and modern technologies of education. Most of those admitted in the basic sciences were rejected in medicine and health related study programmes in SMU. Mathematics (maths) is the main subject for admission into SMU study programmes. However, maths results are usually low. In an attempt to help to prepare the students in the neighbourhood schools of SMU, some Maths educators partnered with local schools to communicate the needs and investigate the causes of poor maths results. They embarked on an action research to determine the level of educators’ maths education. The general aim of the research was to investigate the causes of deficiencies in maths teaching and results in the local secondary schools, focusing on teachers and learners. Asking the teachers about their education and learners about maths concepts of most difficulty, these were identified. The researchers assisted in teaching the difficult concepts. The study highlighted the most difficult concepts and the teachers’ lack of training in some content. Intervention of the researchers showed to be effective only for the very poor performing schools. Those with descent pass rates of over 50% did not benefit from it. This was the sign of lack of optimality in the methods used. The research recommendations suggested that intervention methods should be improved to be effective in all schools, and extension of the endeavours to more schools.

Keywords: action research, intervention, social responsibility, support

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Authors: Vijay Pal Singh, Yogesh Chandra Kotiyal

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Structures are a combination of various load carrying members which transfer the loads to the foundation from the superstructure safely. At the design stage, the loading of the structure is defined and appropriate material choices are made based upon their properties, mainly related to strength. The strength of materials kept on reducing with time because of many factors like environmental exposure and deformation caused by unpredictable external loads. Hence, to predict the strength of materials used in structures, various techniques are used. Among these techniques, Non-Destructive Techniques (NDT) are the one that can be used to predict the strength without damaging the structure. In the present study, the compressive strength of concrete has been predicted using Artificial Neural Network (ANN). The predicted strength was compared with the experimentally obtained actual compressive strength of concrete and equations were developed for different models. A good co-relation has been obtained between the predicted strength by these models and experimental values. Further, the co-relation has been developed using two NDT techniques for prediction of strength by regression analysis. It was found that the percentage error has been reduced between the predicted strength by using combined techniques in place of single techniques.

Keywords: rebound, ultra-sonic pulse, penetration, ANN, NDT, regression

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Authors: Kleiner Marques Marra, Tércio Pedrosa

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This paper reports the production of uranium-molybdenum alloys, which have been considered promising fuel for test and research nuclear reactors. U-Mo alloys were produced in three molybdenum contents: 5 wt.%, 7 wt.%, and 10 wt.%, using an electric vacuum induction furnace. A boron nitride-coated graphite crucible was employed in the production of the alloys and, after melting, the material was immediately poured into a boron nitride-coated graphite mold. The incorporation of carbon was observed, but it happened in a lower intensity than in the case of the non-coated crucible/mold. It is observed that the carbon incorporation increased and alloys density decreased with Mo addition. It was also noticed that the increase in the carbon or molybdenum content did not seem to change the as-cast structure in terms of granulation. The three alloys presented body-centered cubic crystal structure (g phase), after solidification, besides a seeming negative microsegregation of molybdenum, from the center to the periphery of the grains. There were signs of macrosegregation, from the base to the top of the ingots.

Keywords: uranium-molybdenum alloys, incorporation of carbon, solidification, macrosegregation and microsegregation

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Authors: Aiswarea Mathew, Smita Mohanty, Jr., S. K. Nayak

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Polyurethane networks based on castor oil (CO) as a renewable resource polyol were synthesized. Polyurethane/epoxy resin interpenetrating network nanocomposites containing modified montmorillonite organoclay (C30B-PU/EP nanocomposites) were prepared by an in situ intercalation method. The conventional spectroscopic characterization of the synthesized samples using FT-IR confirms the existence of the proposed castor oil based PU structure and also showed that strong interactions existed between C30B and EP/PU matrix. The dispersion degree of C30B in EP/PU matrix was characterized by X-Ray diffraction (XRD) method. Scanning electronic microscopy analysis showed that the interpenetrating process of PU and EP increases the exfoliation degree of C30B, and it improves the compatibility and the phase structure of polyurethane/epoxy resin interpenetrating polymer networks (PU/EP IPNs). The thermal stability improves compared to the polyurethane when the PU/EP IPN is formed. Mechanical properties including the Young’s modulus and tensile strength reflected marked improvement with addition of C30B.

Keywords: castor oil, epoxy, montmorillonite, polyurethane

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Authors: Mzamani Aaron Mabasa

Abstract:

The research study examines the reality that the Language Services Directorate can be considered a language repository hub. The study postulates that multilingual education guided by language policy implementation can improve student performance and pass rate. Various documents in the form of style guides, glossaries and tutorial letters may be used to enable students to understand complex words, sentences, phrases and paragraphs when technical vocabularies are used. This paper addresses the way in which quality assurance can transform South African official languages, including Sign Language, as mandated by the Language Policy for Higher Education. The paper further emphasizes that Language Services is unique in the sense that it involves all South African officials as tools for student support and facilitation of learning. This is in line with the Constitution of the Republic of South Africa (1996) and the Unisa Language Policy of 2023, which declares the status, parity and esteem of these official languages regarding usage in formal function domains, namely education, economy, social and politics. The aim of this paper is to ensure that quality assurance is ultimately accomplished in terms of teaching and learning standards. Eventually, all South African languages can be used for official domains to achieve functional multilingualism. This paper furthermore points out that content analysis as a research instrument as far as a qualitative approach is concerned may be used as a data collection technique.

Keywords: repository, multilingualism, policy, education

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Authors: Raghvendra Singh Yadav, Ivo Kuřitka

Abstract:

In this report, we studied the impact of Gd3+ substitution on structural, magnetic and electrical properties of CoFe2O4 nanoparticles synthesized by sonochemical method. X-ray diffraction pattern confirmed the formation of cubic spinel structure at low concentration of Gd3+ ions, however, GdFeO3 additional phase was observed at higher concentration of Gd3+ ions. Raman and Fourier Transform Infrared spectroscopy study also confirmed cubic spinel structure of Gd3+ substituted CoFe2O4 nanoparticles. The field emission scanning electron microscopy study revealed that Gd3+ substituted CoFe2O4 nanoparticles were in the range of 5-20 nm. The magnetic properties of Gd3+ substituted CoFe2O4 nanoparticles were investigated by using vibrating sample magnetometer. The variation in saturation magnetization, coercivity and remanent magnetization with Gd3+ concentration in CoFe2O4 nanoparticles was observed. The variation of real and imaginary part of dielectric constant, tan δ, and AC conductivity were studied at room temperature.

Keywords: spinel ferrites, nanoparticles, sonochemical method, magnetic properties

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Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

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Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

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Authors: El Amine Nebbat

Abstract:

A void is a dust-free region in dusty plasma, a medium formed of electrons, ions, and charged dust (grain). This structure appears in multiple experimental works. Several researchers have developed models to understand it. Recently, Nebbat and Annou proposed a nonlinear model that describes the void in non-viscos plasma, where the particles of the dusty plasma are treated as a fluid. In fact, the void appears even in dense dusty plasma where viscosity exists through the strong interaction between grains, so in this work, we augment the nonlinear model of Nebbat and Annou by introducing viscosity into the fluid equations. The analysis of the data of the numerical resolution confirms the important effect of this parameter (viscosity). The study revealed that the viscosity increases the dimension of the void for certain dimensions of the grains, and its effect on the value of the density of the grains at the boundary of the void is inversely proportional to their radii, i.e., this density increase for submicron grains and decrease for others. Finally, this parameter reduces the rings of dust density which surround the void.

Keywords: voids, dusty plasmas, variable charge, density, viscosity

Procedia PDF Downloads 48