Search results for: microstructure and properties

Authors: L. M. Ombaka, R. S. Oosthuizen, P. G. Ndungu, V. O. Nyamori

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Understanding the role of nitrogen species on the catalytic properties of nitrogen-doped carbon nanotubes (N-CNTs) as catalysts supports is critical as nitrogen species influence the support’s properties. To evaluate the influence of pyrrolic nitrogen on the physicochemical properties and catalytic activity of N-CNTs supported Pd (Pd/N-CNTs); N-CNTs containing varying pyrrolic contents were synthesized. The catalysts were characterised by the use of transmission electron microscope (TEM), scanning electron microscope, X-ray photoelectron spectroscopy (XPS), X-ray diffraction, Fourier transform infrared spectroscopy, and temperature programmed reduction. TEM analysis showed that the Pd nanoparticles were mainly located along the defect sites on N-CNTs. XPS analysis revealed that the abundance of Pd0 decreased while that of Pd2+ increased as the quantity of pyrrolic nitrogen increased. The increase of Pd2+ species was accredited to the formation of stable Pd-N coordination complexes which prevented further reduction of Pd2+ to Pd0 during synthesis. The formed Pd-N complexes increased the stability and dispersion of Pd2+ nanoparticles. The selective hydrogenation of nitrobenzophenone to aminobenzophenone over Pd/N-CNTs was compared to that of Pd on carbon nanotubes (Pd/CNTs). Pd/N-CNTs showed a higher catalytic activity and selectivity compared with Pd/CNTs. Pyrrolic nitrogen functional groups significantly promoted the selectivity towards aminobenzophenone formation.

Keywords: pyrrolic N-CNTs, hydrogenation reactions, chemical vapour deposition technique

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Authors: Gavin Gengan, Hsein Kew

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Glass from varying recycling processes is considered a material that can be used as aggregate. Waste glass is available from different sources and has been used in the construction industry over the last decades. This current study aims to use recycled glass as a partial replacement for conventional aggregate materials. The experimental programme was designed to optimise the mechanical properties of structural concrete made with recycled glass aggregates (GA). NA (natural aggregates) was partially substituted by GA in a mix design of concrete of 30N/mm2 in proportions of 10%, 20%, and 25% 30%, 40%, and 50%. It was found that with an increasing proportion of GA, there is a decline in compressive strength. The optimum percentage replacement of NA by GA is 25%. The heat of hydration was also investigated with thermocouples placed in the concrete. This revealed an early acceleration of hydration heat in glass concrete, resulting from the thermal properties of glass. The gain in the heat of hydration and the better bonding of glass aggregates together with the pozzolanic activity of the finest glass particles caused the concrete to develop early age and long-term strength higher than that of control concrete

Keywords: concrete, compressive strength, glass aggregates, heat of hydration, pozzolanic

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Authors: Suman Singh, Myungho Lee, Insik Park, Yangjai Shin, Youn Suk Lee

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Active antimicrobial films prepared by incorporating AgSiO2, AgZn, and AgZ at 1%, 3%, 5%, 10% (w/w) into polypropylene (PP) matrix. Complete thermal, structural, mechanical and functional characterization were carried out of all formulations and determined the antimicrobial efficiency and returnable antimicrobial efficiency according to the Japanese Industrial Standard method. The morphology of the films showed agglomerates of particles in the composites. The active formulation had decreased elongation compared to the pure PP sample. Thermal analyses indicated that the active formulation compositions had increased thermal stability. The films showed 50% antimicrobial properties after the fifth wash against the tested microorganisms, presenting better activity against Gram negative organisms than Gram positive ones. These findings suggest that PP films with AgSiO2, AgZn, and AgZ particles could provide a significant contribution to the quality and safety of seafood in the distribution chain.

Keywords: antimicrobial film, properties and characterization, returnable packaging, sea food

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Authors: Kristina Ancutiene, Agne Lage, Ada Gulbiniene

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Virtual garment fitting has gotten considerable attention for researchers currently. Virtual try-on technologies provide the opportunity to check garment fit using various fabrics and sizes. Differences in fabric mechanical properties produce differences in garment fit. This research aimed to investigate the virtual garment fit concerning the fabric's mechanical properties by determining distance ease between the body and the garment. In this research, virtual women mannequin was covered with straight fit virtual dress stitched in Modaris 3D (CAD Lectra). Garment fitting was investigated using seven cotton/cotton blended plain weave fabrics. Ease allowance value at bust, waist and hip girths in 2D basic patterns was changed uniformly from 0 cm to 8 cm. The values of distance ease in 3D virtual garments at the three main girths were investigated. Distance ease distribution in the virtual garment was investigated also. It was defined that by increasing of 2D patterns ease allowance, 3D garment distance ease changes proportionally but differently using various fabrics. Correlation analysis between 3D garment ease and mechanical properties showed that tensile strain in weft direction had the strongest relation.

Keywords: 3D CAD, distance ease, fabric, garment fit, virtual try-on

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Authors: Behzad Mohammadzadeh, Huyk Chun Noh

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The plate is one of the popular structural elements used in a wide range of industries and structures. They may be subjected to blast loads during explosion events, missile attacks or aircraft attacks. This study is to investigate dynamic responses of the rectangular plate subjected to explosive loads. The effects of material properties and plate thickness on responses of the plate are to be investigated. The compressive pressure is applied to the surface of the plate. Different amounts of thickness in the range from 10mm to 30mm are considered for the plate to evaluate the changes in responses of the plate with respect to the plate thickness. Two different properties are considered for the steel. First, the analysis is performed by considering only the elastic-plastic properties for the steel plate. Later on damping is considered to investigate its effects on the responses of the plate. To do analysis, the numerical method using a finite element based package ABAQUS is applied. Finally, dynamic responses and graphs showing the relation between maximum displacement of the plate and aim parameters are provided.

Keywords: impulsive loaded plates, dynamic analysis, ABAQUS, material nonlinearity

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Authors: Rishana Bilimoria

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Darwin’s insightful anthropological theory on the evolution drove mankind’s understanding of our existence in the natural world. Scientists consider analysis of dental and craniofacial remains to be pivotal in uncovering facts about our evolutionary journey. The resilient mineral content of enamel and dentine allow cranial and dental remains to be preserved for millions of years, making it an excellent resource not only in anthropology but other fields of research including forensic dentistry. This literature review aims to chronologically approach each ancestral species, reviewing Australopithecus, Paranthropus, Homo Habilis, Homo Rudolfensis, Homo Erectus, Homo Neanderthalis, and finally Homo Sapiens. Studies included in the review assess the features of cranio-dental remains that are of evolutionary importance, such as microstructure, microwear, morphology, and jaw biomechanics. The article discusses the plethora of analysis techniques employed to study dental remains including carbon dating, dental topography, confocal imaging, DPI scanning and light microscopy, in addition to microwear study and analysis of features such as coronal and root morphology, mandibular corpus shape, craniofacial anatomy and microstructure. Furthermore, results from these studies provide insight into the diet, lifestyle and consequently, ecological surroundings of each species. We can correlate dental fossil evidence with wider theories on pivotal global events, to help us contextualize each species in space and time. Examples include dietary adaptation during the period of global cooling converting the landscape of Africa from forest to grassland. Global migration ‘out of Africa’ can be demonstrated by enamel thickness variation, cranial vault variation over time demonstrates accommodation to larger brain sizes, and dental wear patterns can place the commencement of lithic technology in history. Conclusions from this literature review show that dental evidence plays a major role in painting a phenotypic and all rounded picture of species of the Homo genus, in particular, analysis of coronal morphology through carbon dating and dental wear analysis. With regards to analysis technique, whilst studies require larger sample sizes, this could be unrealistic since there are limitations in ability to retrieve fossil data. We cannot deny the reliability of carbon dating; however, there is certainly scope for the use of more recent techniques, and further evidence of their success is required.

Keywords: cranio-facial, dental remains, evolution, hominids

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Authors: Farzad Danaei, Yilmaz Akkaya

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In many civil engineering applications, especially in the construction of large concrete structures, the early age behavior of concrete has shown to be a crucial problem. The uneven rise in temperature within the concrete in these constructions is the fundamental issue for quality control. Therefore, developing accurate and fast temperature prediction models is essential. The thermal properties of concrete fluctuate over time as it hardens, but taking into account all of these fluctuations makes numerical models more complex. Experimental measurement of the thermal properties at the laboratory conditions also can not accurately predict the variance of these properties at site conditions. Therefore, specific heat capacity and the heat conductivity coefficient are two variables that are considered constant values in many of the models previously recommended. The proposed equations demonstrate that these two quantities are linearly decreasing as cement hydrates, and their value are related to the degree of hydration. The effects of changing the thermal conductivity and specific heat capacity values on the maximum temperature and the time it takes for concrete to reach that temperature are examined in this study using numerical sensibility analysis, and the results are compared to models that take a fixed value for these two thermal properties. The current study is conducted in 7 different mix designs of concrete with varying amounts of supplementary cementitious materials (fly ash and ground granulated blast furnace slag). It is concluded that the maximum temperature will not change as a result of the constant conductivity coefficient, but variable specific heat capacity must be taken into account, also about duration when a concrete's central node reaches its max value again variable specific heat capacity can have a considerable effect on the final result. Also, the usage of GGBFS has more influence compared to fly ash.

Keywords: early-age concrete, mass concrete, specific heat capacity, thermal conductivity coefficient

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Authors: Fatemeh Sadat Miri, Morteza Ehsani, Seyed Farshid Hosseini

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The present research is concerned with the optimization of extrusion parameters of ABS sheets by the Taguchi experimental design method. In this design method, three parameters of % recycling ABS, processing temperature and degassing time on mechanical properties, hardness, HDT, and color matching of ABS sheets were investigated. The variations of this research are the dosage of recycling ABS, processing temperature, and degassing time. According to experimental test data, the highest level of tensile strength and HDT belongs to the sample with 5% recycling ABS, processing temperature of 230°C, and degassing time of 3 hours. Additionally, the minimum level of MFI and color matching belongs to this sample, too. The present results are in good agreement with the Taguchi method. Based on the outcomes of the Taguchi design method, degassing time has the most effect on the mechanical properties of ABS sheets.

Keywords: ABS, process optimization, Taguchi, mechanical properties

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Authors: Kübra Aktaş, Nihat Akin

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Tarhana is a traditional Turkish fermented food. It is widely consumed as soup and includes many different ingredients such as wheat flour, various vegetables, and spices, yoghurt, bakery yeast. It can also be enriched by adding other ingredients. Thus, its nutritional properties can be enhanced. In this study, tarhana was supplemented with two different types of brans (rice bran and corn bran) and WPC (whey protein concentrate powder) to improve its nutritional and functional properties. Some chemical properties of tarhana containing two different brans and their levels (0, 5, 10 and 15%) and WPC (0, 5, 10%) were investigated. The results indicated that addition of WPC increased ash content in tarhanas which were fortified with rice and corn bran. The highest antioxidant and phenolic content values were obtained with addition of rice bran in tarhana formulation. Compared to tarhana with corn bran, rice bran addition gave higher oil content values. The cellulose content of tarhana samples was determined between 0.75% and 2.74% and corn bran showed an improving effect on cellulose contents of samples. In terms of protein content, addition of WPC into the tarhana raised protein content for the samples.

Keywords: corn, rice, tarhana, whey

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Authors: Sheila Shahidi

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UV protection by fabrics has recently become a focus of great interest, particularly in connection with environmental degradation or ozone layer depletion. Fabrics provide simple and convenient protection against UV radiation (UVR), but not all fabrics offer sufficient UV protection. To describe the degree of UVR protection offered by clothing materials, the ultraviolet protection factor (UPF) is commonly used. UV-protective fabric can be generated by application of a chemical finish using normal wet-processing methodologies. However, traditional wet-processing techniques are known to consume large quantities of water and energy and may lead to adverse alterations of the bulk properties of the substrate. Recently, usage of plasmas to generate physicochemical surface modifications of textile substrates has become an intriguing approach to replace or enhance conventional wet-processing techniques. In this research work the effect of plasma treatment on UV protection properties of fabrics was investigated. DC magnetron sputtering was used and the parameters of plasma such as gas type, electrodes, time of exposure, power and, etc. were studied. The morphological and chemical properties of samples were analyzed using Scanning Electron Microscope (SEM) and Furrier Transform Infrared Spectroscopy (FTIR), respectively. The transmittance and UPF values of the original and plasma-treated samples were measured using a Shimadzu UV3101 PC (UV–Vis–NIR scanning spectrophotometer, 190–2, 100 nm range). It was concluded that, plasma which is an echo-friendly, cost effective and dry technique is being used in different branches of the industries, and will conquer textile industry in the near future. Also it is promising method for preparation of UV protection textile.

Keywords: fabric, plasma, textile, UV protection

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Authors: Mihir Hota, Namita Jena, S. N. Sahu

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LEEH (L-cysteine ethyl ester hydrochloride) capped CdS semiconductor nanocrystals are grown at 800C using a simple chemical route. Photoluminescence (PL), Optical absorption (UV) and Transmission Electron Microscopy (TEM) have been carried out to evaluate the structural and optical properties of the nanocrystal. Optical absorption studies have been carried out to optimize the sample. XRD and TEM analysis shows that the nanocrystal belongs to FCC structure having average size of 3nm while a bandgap of 2.84eV is estimated from Photoluminescence analysis. The nanocrystal emits bluish light when excited with 355nm LASER.

Keywords: cadmium sulphide, nanostructures, luminescence, optical properties

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Authors: Kamrun N. Keya, Nasrin A. Kona, Ruhul A. Khan

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Pineapple leaf fiber (PALF) reinforced polypropylene (PP) based composites were fabricated by a conventional compression molding technique. In this investigation, PALF composites were manufactured using different percentages of fiber, which were varying from 25-50% on the total weight of the composites. To fabricate the PALF/PP composites, untreated and treated fibers were selected. A systematic study was done to observe the physical, mechanical and interfacial behavior of the composites. In this study, mechanical properties of the composites such as tensile, impact and bending properties were observed precisely. It was found that 45wt% of fiber composites showed better mechanical properties than others. Maximum tensile strength (TS) and bending strength (BS) was observed, 65 MPa and 50 MPa respectively, whereas the highest tensile modulus (TM) and bending modulus (BM) was examined, 1.7 GPa and 0.85 GPa respectively. The PALF/PP based composites were treated with irradiated under gamma radiation (the source strength 50 kCi Cobalt-60) of various doses (2.5 kGy to 10 kGy). The effect of gamma radiation on the composites was also investigated, and it found that the effect of 5.0 kGy (i.e. units for radiation measurement is 'gray', kGy=kilogray ) gamma dose showed better mechanical properties than other doses. The values of TS, BS, TM, and BM of the irradiated (5.0 kGy) composites were found to improve by 19%, 23%, 17% and 25 % over non-irradiated composites. After flexural testing, fracture sides of the untreated and treated both composites were studied by scanning electron microscope (SEM). SEM results of the treated PALF/PP based composites showed better fiber-matrix adhesion and interfacial bonding than untreated PALF/PP based composites. Water uptake and soil degradation tests of untreated and treated composites were also investigated.

Keywords: PALF, polypropylene, compression molding technique, gamma radiation, mechanical properties, scanning electron microscope

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Authors: Ziya Esen, Özgür Duygulu, Nazlı S. Büyükatak

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This study investigates the effects of aging heat treatment on corrosion resistance and mechanical properties of WE43 Magnesium alloy. The heat treatment of alloys was conducted by solutionizing at 525oC for 16 h, followed by aging at 190, 210 and 230oC for up to 48 h. The type and the size of precipitates formed upon aging have influenced both the mechanical properties and corrosion behavior of the alloy. Solutionized alloy displayed the worst corrosion resistance in simulated body fluid, while peak hardness and the best corrosion resistance were observed in the alloy aged at 210oC for 24 h as a result of β’ precipitate formation. Longer aging duration at 210oC decreased the corrosion rate due to the coarsening of the precipitates and formation of precipitate-free zones. The increased corrosion resistance of the peak aged samples was attributed to the slowing down effect of the Mg(OH)₂/MgO corrosion layer by the pinning effect of β’-precipitates.

Keywords: WE43 magnesium alloy, simulated body fluid, corrosion, mechanical properties

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Authors: Benjamin Sonnenreich

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Brittle fracture failure probability is best described using a stochastic approach which is based on the 'weakest link concept' and the connection between a microstructure and macroscopic fracture scale. A general theoretical and experimental framework is presented to predict the uniaxial strength distribution according to independent uniaxial test data. The framework takes as input the applied stresses, the geometry, the materials, the defect distributions and the relevant random variables from uniaxial test results and gives as output an overall failure probability that can be used to improve the reliability of practical designs. Additionally, the method facilitates comparisons of strength data from several sources, uniaxial tests, and sample geometries.

Keywords: brittle fracture, strength distribution, uniaxial, weakest link concept

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Authors: Reza Eslami-Farsani, Mohammad Alipour

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The effect of deformation on the semisolid microstructure and degree of globularity of Al–15%Mg₂Si composite produced by the strain induced melt activation (SIMA) process was studied. Deformation of 25% was used. After deformation, the samples were heated to a temperature above the solidus and below the liquidus point and maintained in the isothermal conditions at three different temperatures (560, 580 and 595 °C) for varying time (5, 10, 20 and 40 min). The microstructural study was carried out on the alloy by the use of optical microscopy. It was observed that strain induced deformation and subsequently melt activation has caused the globular morphology of Mg₂Si particles. The results showed that for the desired microstructures of the alloy during SIMA process, the optimum temperature and time are 595 °C and 40 min respectively.

Keywords: deformation, semisolid, SIMA, Mg₂Si phase, modification

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Authors: Ould Mohamed Cheikh, Mounir Chaik, Hind El Aakib, Mohamed Aggour, Abdelkader Outzourhit

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Zinc sulfide [ZnS] and oxygenated zinc sulfide Zn(O,S) thin films were deposited on glass substrates, by reactive cathodic radio-frequency (RF) sputtering. The substrates power and percentage of oxygen were varied in the range of 100W to 250W and from 5% to 20% respectively. The structural, morphological and optical properties of these thin films were investigated. The optical properties (mainly the refractive index, absorption coefficient and optical band gap) were examined by optical transmission measurements in the ultraviolet-visible-near Infrared wavelength range. XRD analysis indicated that all sputtered ZnS films were a single phase with a preferential orientation along the (111) plane of zinc blend (ZB). The crystallite size was in the range of 19.5 nm to 48.5 nm, the crystallite size varied with RF power reaching a maximum at 200 W. The Zn(O,S) films, on the other hand, were amorphous. UV-Visible, measurements showed that the ZnS film had more than 80% transmittance in the visible wavelength region while that of Zn(O,S is 85%. Moreover, it was observed that the band gap energy of the ZnS films increases slightly from 3.4 to 3.52 eV as the RF power was increased. The optical band gap of Zn(O,S), on the other hand, decreased from 4.2 to 3.89 eV as the oxygen partial pressure is increased in the sputtering atmosphere at a fixed RF-power. Scanning electron microscopy observations revealed smooth surfaces for both type of films. The X-ray reflectometry measurements on the ZnS films showed that the density of the films (3.9 g/cm3) is close that of bulk ZnS.

Keywords: thin films Zn(O, S) properties, Zn(O, S) by Rf-sputtering, ZnS for solar cells, thin films for renewable energy

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Authors: Mahmoud Elrouby

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Metal chalcogenide materials have wide spectrum of properties, for that these materials can be used in electronics, optics, magnetics, solar energy conversion, catalysis, passivation, ion sensing, batteries, and fuel cells. This work aims to, how can obtain these materials via electrochemical methods simply for further applications. The work regards in particular the systems relevant to the sulphur sub-group elements, i.e., sulphur, selenium, and tellurium. The role of electrochemistry in synthesis, development, and characterization of the metal chalcogenide materials and related devices is vital and important. Electrochemical methods as preparation tool offer the advantages of soft chemistry to access bulk, thin, nano film and epitaxial growth of a wide range of alloys and compounds, while as a characterization tool provides exceptional assistance in specifying the physicochemical properties of materials. Moreover, quite important applications and modern devices base their operation on electrochemical principles. Thereupon, our scope in the first place was to organize existing facts on the electrochemistry of metal chalcogenides regarding their synthesis, properties, and applications.

Keywords: electrodeposition, metal chacogenides, semiconductors, applications

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Authors: Tim Dunne, Jiaxiang Ren, Lei Zhao, Peng Cheng, Yi Song, Yu Liu, Wenhan Yue, Xiongwen Yang

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Two decades of the Shale Revolution has transforming transformed the global energy market, in part by the adaption of multi-stage dissolvable frac plugs. Magnesium has been favored for the bulk of plugs, requiring development of materials to suit specific field requirements. Herein, the mechanical and dissolution results from equal channel angular pressing (ECAP) of two cast dissolvable magnesium alloy are described. ECAP was selected as a route to increase the mechanical properties of two formulations of dissolvable magnesium, as solutionizing failed. In this study, 1” square cross section samples cast Mg alloys formulations containing rare earth were processed at temperatures ranging from 200 to 350 °C, at a rate of 0.005”/s, with a backpressure from 0 to 70 MPa, in a brass, or brass + graphite sheet. Generally, the yield and ultimate tensile strength (UTS) doubled for all. For formulation DM-2, the yield increased from 100 MPa to 250 MPa; UTS from 175 MPa to 325 MPa, but the strain fell from 2 to 1%. Formulation DM-3 yield increased from 75 MPa to 200 MPa, UTS from 150 MPa to 275 MPa, with strain increasing from 1 to 3%. Meanwhile, ECAP has also been found to reduce the dissolution rate significantly. A microstructural analysis showed grain refinement of the alloy and the movement of secondary phases away from the grain boundary. It is believed that reconfiguration of the grain boundary phases increased the mechanical properties and decreased the dissolution rate. ECAP processing of dissolvable high rare earth content magnesium is possible despite the brittleness of the material. ECAP is a possible processing route to increase mechanical properties for dissolvable aluminum alloys that do not extrude.

Keywords: equal channel angular processing, dissolvable magnesium, frac plug, mechanical properties

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Authors: Shabnam, Jagdeep Kumar

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Because of the impact of their greater surface area and smaller quantum sizes in comparison with other metal atoms or bulk metals, metal nanoparticles, such as those formed of gold, exhibit a variety of unusual chemical and physical properties. The size- and shape-dependent properties of gold nanoparticles (GNPs) are particularly notable. Metal nanoparticles have received a lot of attention due to their unique properties and exciting prospective uses in photonics, electronics, biological sensing, and imaging. The latest developments in GNP synthesis are discussed in this review. Green chemistry measures were used to assess the production of gold nanoparticles, with a focus on Process Mass Intensity (PMI). Based on these measurements, opportunities for improving synthetic approaches were found. With PMIs that were often in the thousands, solvent usage was found to be the main obstacle for nanoparticle synthesis, even ones that were otherwise considered to be environmentally friendly. Since ligated metal nanoparticles are the most industrially relevant but least environmentally friendly, their synthesis by arrested precipitation was chosen as the best chance for significant advances. Gold nanoparticles of small sizes and bio-stability are produced biochemically, and they are used in many biological applications.

Keywords: gold, nanoparticles, green synthesis, AuNP

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Authors: Yousuf Alkhezi

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Since most of the literature on algebra does not make much deal with the special case of mapping cone. This paper is an alternative way to examine the special tensor product and mapping cone. Also, we show that the isomorphism that implies the mapping cone commutes with the tensor product for the ordinary tensor product no longer holds for the pinched tensor product. However, we show there is a morphism. We will introduce an alternative way of mapping cone. We are looking for more properties which is our future project. Also, we want to apply these new properties in some application. Many results and examples with classical algorithms will be provided.

Keywords: complex, tensor product, pinched tensore product, mapping cone

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Authors: Aasheesh Raturi, Vimal Kothiyal, P. D. Semalty

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We studied mechanical properties of Eucalyptus tereticornis using FT-NIR spectroscopy. Firstly, spectra were pre-processed to eliminate useless information. Then, prediction model was constructed by partial least squares regression. To study the influence of pre-processing on prediction of mechanical properties for NIR analysis of wood samples, we applied various pretreatment methods like straight line subtraction, constant offset elimination, vector-normalization, min-max normalization, multiple scattering. Correction, first derivative, second derivatives and their combination with other treatment such as First derivative + straight line subtraction, First derivative+ vector normalization and First derivative+ multiplicative scattering correction. The data processing methods in combination of preprocessing with different NIR regions, RMSECV, RMSEP and optimum factors/rank were obtained by optimization process of model development. More than 350 combinations were obtained during optimization process. More than one pre-processing method gave good calibration/cross-validation and prediction/test models, but only the best calibration/cross-validation and prediction/test models are reported here. The results show that one can safely use NIR region between 4000 to 7500 cm-1 with straight line subtraction, constant offset elimination, first derivative and second derivative preprocessing method which were found to be most appropriate for models development.

Keywords: FT-NIR, mechanical properties, pre-processing, PLS

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Authors: Alya A. Arabi

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Bioisosteres are functional groups that can be interchangeably used without affecting the potency of the drug. Bioisosteres have similar pharmacological properties. Bioisosterism is useful for modifying the physicochemical properties of a drug while obeying the Lipinski’s rules. Bioisosteres are key in optimizing the pharmacokinetic and pharmacodynamics properties of a drug. Tetrazole and carboxylate anions are non-classic bioisosteres. Density functional theory was used to obtain the wavefunction of the molecules and the optimized geometries. The quantum theory of atoms in molecules (QTAIM) was used to uncover the similarity of the average electron density in tetrazole and carboxylate anions. This similarity between the bioisosteres capped by a methyl group was valid despite the fact that the groups have different volumes, charges, energies, or electron populations. The biochemical correspondence of tetrazole and carboxylic acid was also determined to be a result of the similarity of the topography of the electrostatic potential (ESP). The ESP demonstrates the pharmacological and biochemical resemblance for a matching “key-and-lock” interaction.

Keywords: bioisosteres, carboxylic acid, density functional theory, electrostatic potential, tetrazole

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Authors: H. Farokhi, A. Bahadoran

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This paper is focused on the absorbance and magnetic properties of a novel nanocomposite based on conducting polymer, carbon black and barium hexaferrite in epoxy resin on the E-glass fibre substrate. The highly conductive nanocomposite was provided by in-situ polymerization of aniline in the presence of carbon black (C) and barium hexaferrite (BaFe12O19) as electromagnetic absorbance material. The structure, morphology, and magnetic properties of samples were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and vibrating sample magnetometer (VSM). SEM images showed the uniformly coated PAni on the surface of carbon black and barium hexaferrite. XRD peaks also verified the presence of carbon black and barium hexaferrite in the nanocomposite. The microwave characteristics determined from the magnetic and dielectric properties of the elastomeric composites obtained from scattering data by fitting the samples in a waveguide, where measured in the frequency in X-band frequency range, the range of 8 to 12 GHz. The reflection losses were evaluated to be less than −5dB over the whole X-band frequency (8–12 GHz) for the thickness of 1.4mm.

Keywords: conductive polymer, magnetic materials, capacitance, electrochemical cell

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Authors: A. Tuna, Y. Okumuş, A. T. Seyhan, H. Çelebi

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In this study, microfluidization was considered a promising approach to breaking up of carbonized chicken feather fibers (CCFFs) flocs to synthesizing epoxy suspensions containing (1 wt. %) CCFFs. For comparison, CCFF was also treated using sonication. The energy consumed to break up CCFFs in the ethanol was the same for both processes. CCFFs were found to be dispersed in ethanol in a significantly shorter time with the high shear processor. The CCFFs treated by both sonication and microfluidization were dispersed in epoxy by sonication. SEM examination revealed that CCFFs were broken up into smaller pieces using the high shear processor while being not agglomerated. Further, DSC, TMA, and DMA were systematically used to measure thermal properties of the resulting composites. A significant improvement was observed in the composites including CCFFs treated with microfluidization.

Keywords: carbonized chicken feather fiber (CCFF), modulated differential scanning calorimetry (MDSC), modulated thermomechanical analysis (MTMA), thermal properties

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Authors: Habib Khodaverdiloo, Fatemeh Afrasiabi, Farrokh Asadzadeh, Martinus Th. Van Genuchten

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The soil particle-size distribution (PSD) is known to affect a broad range of soil physical, mechanical and hydraulic properties. Complete descriptions of a PSD curve should provide more information about these properties as opposed to having only information about soil textural class or the soil sand, silt and clay (SSC) fractions. We compared the accuracy of 19 different models of the cumulative PSD in terms of fitting observed data from a large number of Iranian soils. Parameters of the six most promising models were correlated with measured values of the field saturated hydraulic conductivity (Kfs), the mean weight diameter of soil aggregates (MWD), bulk density (ρb), and porosity (∅). These same soil properties were correlated also with conventional PSD parameters (SSC fractions), selected geometric PSD parameters (notably the mean diameter dg and its standard deviation σg), and several other PSD parameters (D50 and D60). The objective was to find the best predictions of several soil physical quality indices and the soil hydraulic properties. Neither SSC nor dg, σg, D50 and D60 were found to have a significant correlation with both Kfs or logKfs, However, the parameters of several cumulative PSD models showed statistically significant correlation with Kfs and/or logKfs (|r| = 0.42 to 0.65; p ≤ 0.05). The correlation between MWD and the model parameters was generally also higher than either with SSC fraction and dg, or with D50 and D60. Porosity (∅) and the bulk density (ρb) also showed significant correlation with several PSD model parameters, with ρb additionally correlating significantly with various geometric (dg), mechanical (D50 and D60), and agronomic (clay and sand) representations of the PSD. The fitted parameters of selected PSD models furthermore showed statistically significant correlations with Kfs,, MWD and soil porosity, which may be viewed as soil quality indices. Results of this study are promising for developing more accurate pedotransfer functions.

Keywords: particle size distribution, soil texture, hydraulic conductivity, pedotransfer functions

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Authors: Alper Taner, Yesim Benal Oztekin, Huseyin Duran

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In this study, an Artificial Neural Network (ANN) was developed in order to classify barley varieties. For this purpose, physical properties of barley varieties were determined and ANN techniques were used. The physical properties of 8 barley varieties grown in Turkey, namely thousand kernel weight, geometric mean diameter, sphericity, kernel volume, surface area, bulk density, true density, porosity and colour parameters of grain, were determined and it was found that these properties were statistically significant with respect to varieties. As ANN model, three models, N-l, N-2 and N-3 were constructed. The performances of these models were compared. It was determined that the best-fit model was N-1. In the N-1 model, the structure of the model was designed to be 11 input layers, 2 hidden layers and 1 output layer. Thousand kernel weight, geometric mean diameter, sphericity, kernel volume, surface area, bulk density, true density, porosity and colour parameters of grain were used as input parameter; and varieties as output parameter. R2, Root Mean Square Error and Mean Error for the N-l model were found as 99.99%, 0.00074 and 0.009%, respectively. All results obtained by the N-l model were observed to have been quite consistent with real data. By this model, it would be possible to construct automation systems for classification and cleaning in flourmills.

Keywords: physical properties, artificial neural networks, barley, classification

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Authors: Ahmet Battal, Demet Tatar, Bahattin Düzgün

Abstract:

Various transparent conducting oxides (TCOs) are mostly used much applications due to many properties such as cheap, high transmittance/electrical conductivity etc. One of the clearest among TCOs, indium tin oxide (ITO), is the most widely used in many areas. However, as ITO is expensive and very low regarding reserve, other materials with suitable properties (especially SnO2 thin films) are be using instead of it. In this report, tin oxide thin films doubly doped with antimony and fluorine (AFTO) were deposited by spray at different substrate temperatures on glass substrate. It was investigated their structural, optical, electrical and luminescence properties. The substrate temperature was varied from 320 to 480 ˚C at the interval of 40 (±5) ºC. X-ray results were shown that the films are polycrystalline with tetragonal structure and oriented preferentially along (101), (200) and (210) directions. It was observed that the preferential orientations of crystal growth are not dependent on substrate temperature, but the intensity of preferential orientation was increased with increasing substrate temperature until 400 ºC. After this substrate temperature, they decreased. So, substrate temperature impact structure of these thin films. It was known from SEM analysis, the thin films have rough and homogenous and the surface of the films was affected by the substrate temperature i.e. grain size are increasing with increasing substrate temperature until 400 ºC. Also, SEM and AFM studies revealed the surface of AFTO thin films to be made of nanocrystalline particles. The average transmittance of the films in the visible range is 70-85%. Eg values of the films were investigated using the absorption spectra and found to be in the range 3,20-3,93 eV. The electrical resistivity decreases with increasing substrate temperature, then the electrical resistivity increases. PL spectra were found as a function of substrate temperature. With increasing substrate temperature, emission spectra shift a little bit to a UV region. Finally, tin oxide thin films were successfully prepared by this method and a spectroscopic characterization of the obtained films was performed. It was found that the films have very good physical properties. It was concluded that substrate temperature impacts thin film structure.

Keywords: thin films, spray pyrolysis, SnO2, doubly doped

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Authors: D. M. Tshwane, R. R. Maphanga, P. E. Ngoepe

Abstract:

Nanostructured materials are attractive candidates for efficient electrochemical energy storage devices because of their unique physicochemical properties. Nanotubes have drawn a continuous attention because of their unique electrical, optical and magnetic properties contrast to that of bulk system. They have potential application in the field of optical, electronics and energy storage device. Introducing nanotubes structures as electrode materials; represents one of the most attractive strategies that could dramatically enhance the battery performance. Spinel LiMn2O4 is the most promising cathode material for Li-ion batteries. In this work, computer simulation methods are used to generate and investigate properties of spinel LiMn2O4 nanotubes. Molecular dynamic simulation is used to probe the local structure of LiMn2O4 nanotubes and the effect of temperature on these systems. It is found that diameter, Miller indices and size have a direct control on nanotubes morphology. Furthermore, it is noted that stability depends on surface and wrapping of the nanotube. The nanotube structures are described using the radial distribution function and XRD patterns. There is a correlation between calculated XRD and experimentally reported results.

Keywords: LiMn2O4, li-ion batteries, nanotubes, nanostructures

Procedia PDF Downloads 189

Authors: Jitrawadee Meerasri, Rungsinee Sothornvit

Abstract:

Pectin is a structural polysaccharide from plant cell walls and can be used as a stabilizer, gelling and film-forming agents to improve many food products. Moreover, pectin film as a natural biopolymer can be a carrier of several active ingredients such as antioxidant and antimicrobial to provide an active or functional film. Gamma-aminobutyric acid (GABA) is a well-known agent to reduce neuronal excitability throughout the nervous system and it is interesting to investigate the GABA effect as a substitute of normal plasticizer (glycerol) on edible film properties. Therefore, the objective of this study was to determine the effect of GABA concentrations (5-15% of pectin) on film mechanical properties, moisture content, water vapor permeability, and solubility compared with those from glycerol (10% of pectin) plasticized pectin film including a control film (pectin film without any plasticizer). It was found that an increase in GABA concentrations decreased film tensile strength, modulus, solubility and water vapor permeability, but elongation was increased without a change in the moisture content. The smaller amount of GABA showed the equivalent film properties as using a higher amount of glycerol. Consequently, GABA can act as an alternative plasticizer substitute of glycerol at the lower amount used. Moreover, GABA provides the nutritional high value in the food products when the edible packaging material is consumed with products.

Keywords: gamma-aminobutyric acid, pectin, plasticizer, edible film

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Authors: Paschal A. Ubi, Salawu Abdul Rahman Asipita

Abstract:

The use of suitable engineering materials which poses less harm to ,an and the environment is sort for in recent times, thus giving rise to polymer composites filled with natural organic reinforcement which are biodegradable. Treatment of natural fibres is essential in improving matrix to filler adhesion, hence improving its mechanical properties. In this study, investigations were carried out to determine the effect of sodium hydroxide treatment on the tensile, flexural, impact and hardness properties of crushed and uncrushed luffa cylindrica fibre reinforced recycled low density polyethylene composites. The LC (Luffa Cylindrica) fibres were treated with 0%, 2%, 4%, 6%, 8%, and 10% wt. NaOH concentrations for a period of 24 hours under room temperature conditions. The compounding of the waste LDPE was done using a two roll mill at a temperature of 150 oC and cured in a hydraulic press at a temperature of 150oC for 3 minutes at 3 metric tonnes. A formulation of 20/80g (reinforcement to matrix ratio in grams) was maintained for all fabricated samples. Analysis of the results showed that the uncrushed luffa fibre samples gave better mechanical properties compared with the crushed luffa fibre samples. The uncrushed luffa fibre composites had optimum tensile and flexural strengths of 7.65MPa and 17.08Mpa respectively corresponding to a young modulus and flexural modulus of 21.08MPa and 232.22MPa for the 8% and 4%wt. NaOH concentration respectively. Results obtained in the research showed that NaOH treatment with the 8% NaOH concentration improves the mechanical properties of the LC fibre reinforced composites when compared with other NaOH treatment concentration values.

Keywords: LC fibres, NaOH concentration, LC/rLDPE composite, tensile strength, flexural strength

Procedia PDF Downloads 280