Search results for: surface reactions

Authors: R. Noorani, K. Peerless, J. Mandrell, A. Lopez, R. Dalberto, M. Alzebaq

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Rapid prototyping (RP) is an additive manufacturing technology used in industry that works by systematically depositing layers of working material to construct larger, computer-modeled parts. A key challenge associated with this technology is that RP parts often feature undesirable levels of surface roughness for certain applications. To combat this phenomenon, an experimental technique called Design of Experiments (DOE) can be employed during the growth procedure to statistically analyze which RP growth parameters are most influential to part surface roughness. Utilizing DOE to identify such factors is important because it is a technique that can be used to optimize a manufacturing process, which saves time, money, and increases product quality. In this study, a four-factor/two level DOE experiment was performed to investigate the effect of temperature, layer thickness, infill percentage, and infill speed on the surface roughness of RP prototypes. Samples were grown using the sixteen different possible growth combinations associated with a four-factor/two level study, and then the surface roughness data was gathered for each set of factors. After applying DOE statistical analysis to these data, it was determined that layer thickness played the most significant role in the prototype surface roughness.

Keywords: rapid prototyping, surface roughness, design of experiments, statistical analysis, factors and levels

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Authors: Morteza Habibi, Reza Amrollahi

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The Aluminum made targets were placed at the central part of a Fillipov type (90KJ) plasma focus cathode. These targets were exposed to perpendicular dense plasma stream incidence. Melt layer erosion by melt motion, surface smoothing, and bubble formation were some of different effects caused by diverse working conditions. Micro hardness of surface layer tends to decrease particularly in the central region of the sample where destruction is more intense. The most pronouced melt motion is registered in the region of the maximum gradient of pressure and the etching of aluminium surface is noticeable in the central part of target. The crater with a maximum depth of 200µm, and the diameter of about 8.5mm is observed close to the mountains. Adding Krypton admixture to the Deuterium gas lead to collapsing bubbles and greater surface damage.

Keywords: fillipov type plasma focus, al target interaction, bubbling effect, melt layer motion, surface smoothing

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Authors: S. Arabnejad, D. W. C. Cheong, H. Chaobin, V. P. W. Shim

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Debonding is the one of the fundamental damage mechanisms in particle field composites. This phenomenon gains more importance in nano composites because of the extensive interfacial region present in these materials. Understanding the debonding mechanism accurately, can help in understanding and predicting the response of nano composites as the interface deteriorates. The small length scale of the phenomenon makes the experimental characterization complicated and the results of it, far from real physical behavior. In this study the damage process in nylon-6/silica interface is examined through Molecular Dynamics (MD) modeling and simulations. The silica has been modeled with three forms of surfaces – without any surface treatment, with the surface treatment of 3-aminopropyltriethoxysilane (APTES) and with Hexamethyldisilazane (HMDZ) surface treatment. The APTES surface modification used to create functional groups on the silica surface, reacts and form covalent bonds with nylon 6 chains while the HMDZ surface treatment only interacts with both particle and polymer by non-bond interaction. The MD model in this study uses a PCFF force field. The atomic model is generated in a periodic box with a layer of vacuum on top of the polymer layer. This layer of vacuum is large enough that assures us from not having any interaction between particle and substrate after debonding. Results show that each of these three models show a different traction separation behavior. However, all of them show an almost bilinear traction separation behavior. The study also reveals a strong correlation between the length of APTES surface treatment and the cohesive strength of the interface.

Keywords: debonding, surface treatment, cohesive response, separation behaviour

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Authors: Farid Yuristiawan, Aulina R. Rahmi, Detty Iryani, Gunawan

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Glass ionomer cement is one of the filling material that often used in the field of dentistry because it is relatively less expensive and mostly available. Surface hardness is one of the most important properties of restoration material; it is the ability of material to stand against indentation, which is directly connected to the material compressive strength and its ability to withstand abrasion. The higher surface hardness of a material means it is better to withstand abrasion. The existence of glass ionomer cement in the mouth makes it susceptible to any substance that comes into mouth, one of them is mouthwash which is a solution that used for many purposes such as antiseptic, astringent, to prevent caries, and bad breath. The presence of alcohol in mouthwash could affect the properties of glass ionomer cement, surface hardness. Objective: To determine the comparison of surface hardness of glass ionomer cement which soaked in alcohol containing mouthwash and alcohol-free mouthwash. Methods: This research is a laboratory experimental type study. There were 30 samples made from GC FUJI IX GP EXTRA and then soaked in artificial saliva for the first 24 hours inside incubator which temperature and humidity were controlled. Samples then divided into three groups. The first group will be soaked in alcohol-containing mouthwash; second group will be soaked alcohol-free mouthwash and control group will be soaked in artificial saliva for 6 hours inside incubator. Listerine is the mouthwash that was used on this research and surface hardness was examined using Vickers Hardness Tester. The result of this research shows mean value for surface hardness of the first group is 16.36 VHN, 24.04 VHN for second group, and 43.60 VHN for control group. The result one way ANOVA with post hoc Bonferroni comparing test show significant results p = 0.00. Conclusions: The data showed there were statistically significant differences of surface hardness between each group, which surface hardness of the first group is lower than the second group, and both surface hardness of the first (alcohol mouthwash) and second group (alcohol-free mouthwash) are lowered than control group (p = 0.00).

Keywords: glass ionomer cement, mouthwash, surface hardness, Vickers hardness tester

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Authors: Fatemeh Mirakhorli

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Porosity is the main issue during welding of aluminum alloys, and surface cleaning has a critical influence to reduce the porosity level by removing the oxidized surface layer before fusion welding. Developing an optimum and economical surface cleaning method has an enormous benefit for aluminum welding industries to reduce costs related to repairing and repeating welds as well as increasing the mechanical properties of the joints. In this study, several mechanical and chemical surface cleaning methods were examined for butt joint welding of 2 mm thick AA6xxx alloys using ER5556 filler metal. The effects of each method on porosity formation and tensile properties are evaluated. It has been found that, compared to the conventional mechanical cleaning method, the use of chemical cleaning leads to an important reduction in porosity level even after a significant delay between cleaning and welding. The effect of the higher porosity level in the fusion zone to reduce the tensile strength of the welds is shown.

Keywords: gas metal arc welding (GMAW), aluminum alloy, surface cleaning, porosity formation, mechanical property

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Authors: Fernanda A. Vechietti, Natália O. B. Muniz, Laura C. Treccani, Kurosch. Rezwan, Luis Alberto dos Santos

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CoCr alloys are widely used in prosthetic implants due to their excellent mechanical properties, such as good tensile strength, elastic modulus and wear resistance. Their biocompatibility and lack of corrosion are also prominent features of this alloy. One of the most effective and simple ways to protect metal’s surfaces are treatments, such as electrochemical oxidation by passivation, which is used as a protect release of metallic ions. Another useful treatment is the electropolishing, which is used to reduce the carbide concentration and protrusion at the implanted surface. Electropolishing is a cheap and effective method for treatment of implants, which generally has complex geometries. The purpose of this study is surface modification of the alloy CoCr(ASTM F90-09) by different methods: polishing, electro polishing, passivation and heat treatment for application as biomaterials. The modification of the surface was studied and characterized by SEM, profilometry, wettability and compared to the surface of the samples untreated. The heat treatment and of passivation increased roughness (0.477 µm and 0.825 µm) the samples in relation the sample electropolished and polished(0.131 µm and 0.274 µm) and were observed the improve wettability’s with the increase the roughness.

Keywords: biomaterial, CoCr, surface treatment, heat treatment, roughness

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Authors: V. Sivakumar, R. Neelakantan

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Mineral mapping on the Moon surface provides the clue to understand the origin, evolution, stratigraphy and geological history of the Moon. Recently, reflectance imaging spectroscopy plays a significant role in identifying minerals on the planetary surface in the Visible to NIR region of the electromagnetic spectrum. The Moon Mineralogy Mapper (M3) onboard Chandrayaan-1 provides unprecedented spectral data of lunar surface to study about the Moon surface. Here we used the M3 sensor data (hyperspectral imaging spectroscopy) for analysing mineralogy of Orientale basin region on the Moon surface. Reflectance spectrums were sampled from different locations of the basin and continuum was removed using ENvironment for Visualizing Images (ENVI) software. Reflectance spectra of unknown mineral composition were compared with known Reflectance Experiment Laboratory (RELAB) spectra for discriminating mineralogy. Minerals like olivine, Low-Ca Pyroxene (LCP), High-Ca Pyroxene (HCP) and plagioclase were identified. In addition to these minerals, an unusual type of spectral signature was identified, which indicates the probable Fe-Mg-spinel lithology in the basin region.

Keywords: chandryaan-1, moon mineralogy mapper, mineral, mare orientale, moon

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Authors: Tetsuo Okutsu

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We have developed a crystallization plate with the function of promoting protein crystallization. A gold thin film is deposited on the crystallization plate. A protein solution is dropped thereon, and crystallization is promoted when the protein is irradiated with light of a wavelength that protein does not absorb. Protein is densely adsorbed on the gold thin film surface. The light excites the surface plasmon resonance of the gold thin film, the protein is excited by the generated enhanced electric field induced by surface plasmon resonance, and the amino acid residues are radicalized to produce protein dimers. The dimers function as templates for protein crystals, crystallization is promoted.

Keywords: lysozyme, plasmon, protein, crystallization, RNaseA

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Authors: S. Ajith Kumar, Vaisakh S. Rajan

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In external flows, vortex shedding behind the bluff bodies causes to experience unsteady loads on a large number of engineering structures, resulting in structural failure. Vortex shedding can even turn out to be disastrous like the Tacoma Bridge failure incident. We need to have control over vortex shedding to get rid of this untoward condition by reducing the unsteady forces acting on the bluff body. In circular cylinders, hydrophobic surface in an otherwise no-slip surface is found to be delaying separation and minimizes the effects of vortex shedding drastically. Flow over square cylinder stands different from this behavior as separation can takes place from either of the two corner separation points (front or rear). An attempt is made in this study to numerically elucidate the effect of hydrophobic surface in flow over a square cylinder. A 2D numerical simulation has been done to understand the effects of the slip surface on the flow past square cylinder. The details of the numerical algorithm will be presented at the time of the conference. A non-dimensional parameter, Knudsen number is defined to quantify the slip on the cylinder surface based on Maxwell’s equation. The slip surface condition of the wall affects the vorticity distribution around the cylinder and the flow separation. In the numerical analysis, we observed that the hydrophobic surface enhances the shedding frequency and damps down the amplitude of oscillations of the square cylinder. We also found that the slip has a negative effect on aerodynamic force coefficients such as the coefficient of lift (CL), coefficient of drag (CD) etc. and hence replacing the no slip surface by a hydrophobic surface can be treated as an effective drag reduction strategy and the introduction of hydrophobic surface could be utilized for reducing the vortex induced vibrations (VIV) and is found as an effective method in controlling VIV thereby controlling the structural failures.

Keywords: drag reduction, flow past square cylinder, flow control, hydrophobic surfaces, vortex shedding

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Authors: Johannes J. Schneider, Mathias S. Weyland, Peter Eggenberger Hotz, William D. Jamieson, Oliver Castell, Alessia Faggian, Rudolf M. Füchslin

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In the description of the origin of life, there are still some open gaps, e.g., the formation of macromolecules cannot be fully explained so far. The Kauffman model proposes the existence of autocatalytic sets of macromolecules which mutually catalyze reactions leading to each other’s formation. Usually, this model is simulated in one well-stirred pot only, with a continuous inflow of small building blocks, from which larger molecules are created by a set of catalyzed ligation and cleavage reactions. This approach represents the picture of the primordial soup. However, the conditions on the early Earth must have differed geographically, leading to spatially different outcomes whether a specific reaction could be performed or not. Guided by this picture, the Kauffman model is simulated in a large number of containers in parallel, with neighboring containers being connected by diffusion. In each container, only a subset of the overall reaction set can be performed. Under specific conditions, this approach leads to a larger probability for the existence of an autocatalytic metabolism than in the original Kauffman model.

Keywords: agglomeration, autocatalytic set, differential equation, Kauffman model

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Authors: Dejan Tanikić, Miodrag Manić, Jelena Đoković, Saša Kalinović

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This paper deals with the determination of the optimum machining parameters, according to the measured and modelled data of the cutting temperature and surface roughness, during the turning of the AISI 4140 steel. The high cutting temperatures are unwanted occurences in the metal cutting process. They impact negatively on the quality of the machined part. The machining experiments were performed using different cutting regimes (cutting speed, feed rate and depth of cut), with different values of the workpiece hardness, which causes different values of the measured cutting temperature as well as the measured surface roughness. The temperature and surface roughness data were modelled after that using Response Surface Methodology (RSM). The obtained RSM models are used in the process of optimization of the cutting regimes using the Genetic Algorithms (GA) tool, which enables the metal cutting process in the optimum conditions.

Keywords: genetic algorithms, machining parameters, response surface methodology, turning process

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Authors: G. Imran, A. Pandurangan

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Epoxides constitute important intermediates for the production of fine and bulk chemicals as well as valuable building blocks for the synthesis of a variety of bioactive molecules. Manganese oxides are used as selective catalyst for various redox type reactions and also effectively used in the field of catalytic disposal of pollutants. Non-toxic, cost efficient factor and more over existence of wide range of oxidation state (+2 to +7) makes catalyst more interesting for both academic research and industrial applications. However, the serious drawback lying is the lower surface area. Exceedingly dispersed manganese oxide grafted over mesoporous solid material KIT-6 through ALD (Atomic Layer Deposition) technique effectively catalyze cyclohexene with H2O2 (30% in water) to corresponding epoxides. Highly selective epoxide >99% with 55.7% conversion of cyclohexene was achieved using huge dispersed active sites of MnOx species containing catalysts. Various weight percent such as (1, 3, 5, 7 & 10 wt %) of manganese (II) acetylacetonate complex was employed as Mn source to post-graft via active silanol groups of KIT-6 and are designated as (Mn-G-KIT-6). XRD, N2 sorption, HR-TEM, DRS-UV-VIS, EPR and H2-TPR were employed for structural and textural properties. Immense Mn species of about 95% proportion on silica matrix obtained was evident from ICP-OES.The resulting materials exhibited Type IV adsorption isotherms indiacting mesopore in nanorange. Si-KIT-6 and Mn-G-KIT-6 materials exhibited surface area of 519-289 m2/g and with decrease in pore volume of 0.96-0.49 cm3/g with pore diameter ranging 7.9- 7.2 with increase in wt%. DRS-UV-VIS spectroscopy and EPR studies reveal that manganese coexists as Mn2+/3+ species as extra-framework sites and frame-work sites that result in dispersion on surface of silica matrix of KIT-6 and incorporated manganese sites with silanol groups along with small sized MnO cluster, evident from HR-TEM which increase with Mn content. Conventional production of epoxides by the intramolecular etherification of chlorohydrins formed by the reaction of alkenes with hypochlorous acid is the major drawbacks obtained recently. The most efficient synthesis of oxiranes (epoxides) is obtained by mesoporous catalysts (Mn-G-KIT-6) are presented here and discussed.

Keywords: ALD, epoxidation, mesoporous, MnOx

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Authors: Muhammad Naweed, Usman Tariq Murtaza, Waseem Siddique

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A pallet body approach is a finite element-based computational approach used for the modeling and assessment of a three-dimensional surface crack. The approach is capable of inserting the crack in an engineering structure and generating high-quality hexahedral mesh in the cracked region of the structure. The approach is capable of computing the stress intensity factors along a semi-elliptical surface crack numerically. The objective of this work is to present that the stress intensity factors produced by the approach can be used with confidence for capturing the parameters during the fatigue crack growth.

Keywords: pallet body approach, semi-elliptical surface crack, stress intensity factors, fatigue crack growth

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Authors: Anna Kolanowska, Anna Kuziel, Sławomir Boncel

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Carbon nanotubes (CNTs) represent a combination of lightness and nanoscopic size with high tensile strength, excellent thermal and electrical conductivity. By now, CNTs have been used as a support in heterogeneous catalysis (CuCl anchored to pre-functionalized CNTs) in the Ullmann-type coupling with aryl halides toward formation of C-N and C-O bonds. The results indicated that the stability of the catalyst was much improved and the elaborated catalytic system was efficient and recyclable. However, CNTs have not been considered as the substrate itself in the Ullmann-type reactions. But if successful, this functionalization would open new areas of CNT chemistry leading to enhanced in-solvent/matrix nanotube individualization. The copper-catalyzed Ullmann-type reaction is an attractive method for the formation of carbon-heteroatom and carbon-carbon bonds in organic synthesis. This condensation reaction is usually conducted at temperature as high as 200 oC, often in the presence of stoichiometric amounts of copper reagent and with activated aryl halides. However, a small amount of organic additive (e.g. diamines, amino acids, diols, 1,10-phenanthroline) can be applied in order to increase the solubility and stability of copper catalyst, and at the same time to allow performing the reaction under mild conditions. The copper (pre-)catalyst is prepared by in situ mixing of copper salt and the appropriate chelator. Our research is focused on the application of Ullmann-type reaction for the covalent functionalization of CNTs. Firstly, CNTs were chlorinated by using iodine trichloride (ICl3) in carbon tetrachloride (CCl4). This method involves formation of several chemical species (ICl, Cl2 and I2Cl6), but the most reactive is the dimer. The fact (that the dimer is the main individual in CCl4) is the reason for high reactivity and possibly high functionalization levels of CNTs. This method, indeed, yielded a notable amount of chlorine onto the MWCNT surface. The next step was the reaction of CNT-Cl with three substrates: aniline, iodobenzene and phenol for the formation C-N, C-C and C-O bonds, respectively, in the presence of 1,10-phenanthroline and cesium carbonate (Cs2CO3) as a base. As the CNT substrates, two multi-wall CNT (MWCNT) types were used: commercially available Nanocyl NC7000™ (9.6 nm diameter, 1.5 µm length, 90% purity) and thicker MWCNTs (in-house) synthesized in our laboratory using catalytic chemical vapour deposition (c-CVD). In-house CNTs had diameter ranging between 60-70 nm and length up to 300 µm. Since classical Ullmann reaction was found as suffering from poor yields, we have investigated the effect of various solvents (toluene, acetonitrile, dimethyl sulfoxide and N,N-dimethylformamide) on the coupling of substrates. Owing to the fact that the aryl halides show the reactivity order of I>Br>Cl>F, we have also investigated the effect of iodine presence on CNT surface on reaction yield. In this case, in first step we have used iodine monochloride instead of iodine trichloride. Finally, we have used the optimized reaction conditions with p-bromophenol and 1,2,4-trihydroxybenzene for the control of CNT dispersion.

Keywords: carbon nanotubes, coupling reaction, functionalization, Ullmann reaction

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Authors: Arash Ghahraman, Gyula Bene

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The object of this study is to investigate the effect of viscosity on the propagation of free-surface waves in an incompressible viscous fluid layer of arbitrary depth. While we provide a more detailed study of properties of linear surface waves, the description of fully nonlinear waves in terms of KdV-like (Korteweg-de Vries) equations is discussed. In the linear case, we find that in shallow enough fluids, no surface waves can propagate. Even in any thicker fluid layers, propagation of very short and very long waves is forbidden. When wave propagation is possible, only a single propagating mode exists for any given horizontal wave number. The numerical results show that there can be two types of non-propagating modes. One type is always present, and there exist still infinitely many of such modes at the same parameters. In contrast, there can be zero, one or two modes belonging to the other type. Another significant feature is that KdV-like equations. They describe propagating nonlinear viscous surface waves. Since viscosity gives rise to a new wavenumber that cannot be small at the same time as the original one, these equations may not exist. Nonetheless, we propose a reasonable nonlinear description in terms of 1+1 variate functions that make possible successive approximations.

Keywords: free surface wave, water waves, KdV equation, viscosity

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Authors: C. Rajalakshmi, Vibin Ipe Thomas

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Sonogashira coupling reactions are widely employed in the synthesis of molecules of biological and pharmaceutical importance. Copper catalyzed Sonogashira coupling reactions are gaining importance owing to the low cost and less toxicity of copper as compared to the palladium catalyst. In the present work, a detailed computational study has been carried out on the Sonogashira coupling reaction between aryl halides and terminal alkynes catalyzed by Copper (I) species with trans-1, 2 Diaminocyclohexane as ligand. All calculations are performed at Density Functional Theory (DFT) level, using the hybrid Becke3LYP functional. Cu and I atoms are described using an effective core potential (LANL2DZ) for the inner electrons and its associated double-ζ basis set for the outer electrons. For all other atoms, 6-311G+* basis set is used. We have identified that the active catalyst species is a neutral 3-coordinate trans-1,2 diaminocyclohexane ligated Cu (I) alkyne complex and found that the oxidative addition and reductive elimination occurs in a single step proceeding through one transition state. This is owing to the ease of reductive elimination involving coupling of Csp2-Csp carbon atoms and the less stable Cu (III) intermediate. This shows the mechanism of copper catalyzed Sonogashira coupling reactions are quite different from those catalyzed by palladium. To gain further insights into the mechanism, substrates containing various functional groups are considered in our study to traverse their effect on the feasibility of the reaction. We have also explored the effect of ligand on the catalytic cycle of the coupling reaction. The theoretical results obtained are in good agreement with the experimental observation. This shows the relevance of a combined theoretical and experimental approach for rationally improving the cross-coupling reaction mechanisms.

Keywords: copper catalysed, density functional theory, reaction mechanism, Sonogashira coupling

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Authors: Chungkuk Jin, Moo-Hyun Kim, HeonYong Kang

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A surface riding (SR) wave energy converter (WEC) is designed and its feasibility and performance are numerically simulated by the author-developed floater-mooring-magnet-electromagnetics fully-coupled dynamic analysis computer program. The biggest advantage of the SR-WEC is that the performance is equally effective even in low sea states and its structural robustness is greatly improved by simply riding along the wave surface compared to other existing WECs. By the numerical simulations and actuator testing, it is clearly demonstrated that the concept works and through the optimization process, its efficiency can be improved.

Keywords: computer simulation, electromagnetics fully-coupled dynamics, floater-mooring-magnet, optimization, performance evaluation, surface riding, WEC

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Authors: Yusra Tariq

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The Grass 37 gene is presently known in tomatoes, which are the source of healthy substances such as ascorbic acid, polyphenols, carotenoids and nutrients. It has a significant impact on the growth and development of humans. The GRASS 37 gene is a plant Transcription factor group assuming significant parts in various reactions of different Abiotic stresses such as (drought, salinity, thermal stresses, temperature, and bright waves) which could highly affect the growth. Tomatoes are very sensitive to temperature, and their growth or production occurs optimally in a temperature range from 21 C to 29.5 C during the daytime and from 18.5 C to 21 C during the night. This protein acts as a positive regulator of salt stress response and abscisic acid signaling. This study summarizes the structure characterized by molecular formula and protein-binding domains by different bioinformatics tools such as Expasy translate tool, Expasy Portparam, Swiss Prot and Inter Pro Scan, Clustal W tool regulatory procedure of GRASS gene components, also their reactions to both biotic and Abiotic stresses.

Keywords: GRAS37, gene, bioinformatics, tool

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Authors: Sokol Isaraj, Lorela Bendo

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Botulinum toxin is the most commonly used treatment to reduce the appearance of dynamic facial wrinkles. It can smooth out wrinkles and restore a more youthful appearance. Although allergic reactions after botox injection are rare, care should be taken by the physician to diagnose the condition and provide suitable treatment in time. The authors report a case of allergic reaction with angioedema to abobotulinumtoxin A. A 50-year-old woman complaining of dynamic wrinkles was injected in a private clinic with Dysport. After two weeks, she returned to the clinic for the touch-up session. Thirty minutes after the completion of the injections in the crow’s feet area, she described the feeling of mild pain and warmth in the injected area, followed by angioedema. The symptoms couldn’t be controlled by IM corticosteroid, and the patient was referred to a hospital center. After adequate systemic treatment for four days, there was a resolution of the symptoms. Despite the reported safety of abobotulinumtoxin A, this case warns practitioners of unpredictably adverse reactions, which require rapid recognition and intravenous support.

Keywords: botulinum toxin, side effects, angioedema, injections

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Authors: Hendradi Hardhienata, Tony Sumaryada, Sri Setyaningsih

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Current progress in the field of nonlinear optics has enabled precise surface characterization in semiconductor materials. Nonlinear optical techniques are favorable due to their nondestructive measurement and ability to work in nonvacuum and ambient conditions. The advance of the bond hyperpolarizability models opens a wide range of nanoscale surface investigation including the possibility to detect molecular orientation at the surface of silicon and zincblende semiconductors, investigation of electric field induced second harmonic fields at the semiconductor interface, detection of surface impurities, and very recently, study surface defects such as twin boundary in wurtzite semiconductors. In this work, we show using nonlinear optical techniques, e.g. nonlinear bond models how arbitrary polarization of the incoming electric field in Rotational Anisotropy Spectroscopy experiments can provide more information regarding the origin of the nonlinear sources in zincblende and wurtzite semiconductor structure. In addition, using hyperpolarizability consideration, we describe how the nonlinear susceptibility tensor describing SHG can be well modelled using only few parameter because of the symmetry of the bonds. We also show how the third harmonic intensity feature shows considerable changes when the incoming field polarization angle is changed from s-polarized to p-polarized. We also propose a method how to investigate surface reconstruction and defects in wurtzite and zincblende structure at the nanoscale level.

Keywords: surface characterization, bond model, rotational anisotropy spectroscopy, effective hyperpolarizability

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Authors: Zhenhua Wei, Gabriel Falzone, Bu Wang, Laurent Pilon, Gaurav Sant

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The production of ordinary Portland cement (OPC) is a CO₂ intensive process. Specifically, cement clinkering reactions require not only substantial energy in the form of heat, but also result in the release of CO₂, from limestone decarbonation and the combustion of fuel. To overcome this CO₂ intensive process, clinkering-free cementation is demonstrated by the carbonation of fly ash; i.e., a by-product of coal combustion. It is shown that in moist environments and at sub-boiling temperatures, calcium-rich fly ashes readily react with gas-phase CO₂ to provide cementation. After seven days of CO₂ exposure at 75°C, such formulations achieve a compressive strength on the order of 35 MPa and take-up 9% CO₂ (by mass of the solid). On the other hand, calcium-deficient fly ashes, due to their lack of alkalinity (i.e., abundance of mobile Ca or Mg), show little if any potential for CO₂ uptake and strength gain. The role of the CO₂ concentration and processing temperature are discussed and linked to the progress of reactions, and the development of microstructure. The outcomes demonstrate a means for enabling clinkering-free cementation while enabling beneficial utilization of CO₂ and fly ash; i.e., two abundant but underutilized industrial by-products.

Keywords: fly ash, carbonation, concrete, strength

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Authors: Nayeli Camacho, Fernanda Lara-Perez, Carolina Ortega-Portilla, Diego G. Espinosa-Arbelaez, Juan M. Alvarado-Orozco, Guillermo C. Mondragon-Rodriguez

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Ultra-high molecular weight polyethylene (UHMWPE) has been the gold standard material for total knee replacements for almost five decades. Wear damage to UHMWPE articulating surface is inevitable due to the natural sliding and rolling movements of the knee. This generates a considerable amount of wear debris, which results in mechanical instability of the joint, reduces joint mobility, increases pain with detrimental biologic responses, and causes component loosening. The presence of wear particles has been closely related to adverse reactions in the knee joint surrounding tissue, especially for particles in the range of 0.3 to 2 μm. Carbon-based materials possess excellent mechanical properties and have shown great promise in tribological applications. In this study, diamond-like carbon coatings (DLC) and carbon nanotubes (CNTs) were used to decrease the wear rate of ultra-high molecular weight polyethylene. A titanium doped DLC (Ti-DLC) was deposited by magnetron sputtering on stainless steel precision spheres while CNTs were used as a second phase reinforcement in UHMWPE at a concentration of 1.25 wt.%. A comparative tribological analysis of the wear of UHMWPE and UHMWPE-CNTs with a stainless steel counterpart with and without Ti-DLC coating is presented. The experimental wear testing was performed on a pin-on-disc tribometer under dry conditions, using a reciprocating movement with a load of 1 N at a frequency of 2 Hz for 100,000 and 200,000 cycles. The wear tracks were analyzed with high-resolution scanning electron microscopy to determine wear modes and observe the size and shape of the wear debris. Furthermore, profilometry was used to study the depth of the wear tracks and to map the wear of the articulating surface. The wear tracks at 100,000 and 200,000 cycles on all samples were relatively shallow, and they were in the range of average roughness. It was observed that the Ti-DLC coating decreases the mass loss in the UHMWPE and the depth of the wear track. The combination of both carbon-based materials decreased the material loss compared to the system of stainless steel and UHMWPE. Burnishing of the surface was the predominant wear mode observed with all the systems, more subtle for the systems with Ti-DLC coatings. Meanwhile, in the system composed of stainless steel-UHMWPE, the intrinsic surface roughness of the material was completely replaced by the wear tracks.

Keywords: CNT reinforcement, self-lubricating materials, Ti-DLC, UHMWPE tribological performance

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Authors: H. Higashiyama, M. Sano, F. Nakanishi, M. Sugiyama, M. Kawanishi, S. Tsukuma

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The heat island phenomenon and extremely hot summer climate are becoming environmental problems in Japan. Cool pavements reduce the surface temperature compared to conventional asphalt pavements in the hot summer climate and improve the thermal environment in the urban area. The authors have studied cement–based grouting materials poured into voids in porous asphalt pavements to reduce the road surface temperature. For the cement–based grouting material, cement, ceramic waste powder, and natural zeolite were used. This cement–based grouting material developed reduced the road surface temperature by 20 °C or more in the hot summer season. Considering the urban landscape, this study investigates the effect of surface temperature reduction of colored cement–based grouting materials containing pigments poured into voids in porous asphalt pavements by measuring the surface temperature of asphalt pavements outdoors. The yellow color performed the same as the original cement–based grouting material containing no pigment and was thermally better performance than the other color. However, all the tested cement–based grouting materials performed well for reducing the surface temperature and for creating the urban landscape.

Keywords: ceramic waste powder, natural zeolite, road surface temperature, asphalt pavement, urban landscape

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Authors: Yeidy Sorani Montenegro Camacho, Samir Bensaid, Nunzio Russo, Debora Fino

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LiFeO2 nano-powders were prepared via solution combustion synthesis (SCS) method and were used as carbon gasification catalyst in a reduced atmosphere. The gasification of soot with CO2 and H2O in the presence of CO and H2 (syngas atmosphere) were also investigated under atmospheric conditions using a fixed-bed micro-reactor placed in an electric, PID-regulated oven. The catalytic bed was composed of 150 mg of inert silica, 45 mg of carbon (Printex-U) and 5 mg of catalyst. The bed was prepared by ball milling the mixture at 240 rpm for 15 min to get an intimate contact between the catalyst and soot. A Gas Hourly Space Velocity (GHSV) of 38.000 h-1 was used for the tests campaign. The furnace was heated up to the desired temperature, a flow of 120 mL/min was sent into the system and at the same time the concentrations of CO, CO2 and H2 were recorded at the reactor outlet using an EMERSON X-STREAM XEGP analyzer. Catalytic and non-catalytic soot gasification reactions were studied in a temperature range of 120°C – 850°C with a heating rate of 5 °C/min (non-isothermal case) and at 650°C for 40 minutes (isothermal case). Experimental results show that the gasification of soot with H2O and CO2 are inhibited by the H2 and CO, respectively. The soot conversion at 650°C decreases from 70.2% to 31.6% when the CO is present in the feed. Besides, the soot conversion was 73.1% and 48.6% for H2O-soot and H2O-H2-soot gasification reactions, respectively. Also, it was observed that the carbon gasification in mixed atmosphere, i.e., when simultaneous carbon gasification with CO2 and steam take place, with H2 and CO as co-reagents; the gasification reaction is strongly inhibited by CO and H2, as well has been observed in single atmospheres for the isothermal and non-isothermal reactions. Further, it has been observed that when CO2 and H2O react with carbon at the same time, there is a passive cooperation of steam and carbon dioxide in the gasification reaction, this means that the two gases operate on separate active sites without influencing each other. Finally, despite the extreme reduced operating conditions, it has been demonstrated that the 32.9% of the initial carbon was gasified using LiFeO2-catalyst, while in the non-catalytic case only 8% of the soot was gasified at 650°C.

Keywords: soot gasification, nanostructured catalyst, reducing environment, syngas

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Authors: Viviane P. Romani, Bradley D. Olsen, Vilásia G. Martins

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Biodegradable films for food packaging have gained growing attention due to environmental pollution caused by synthetic films and the interest in the better use of resources from nature. Important research advances were made in the development of materials from proteins, polysaccharides, and lipids. However, the commercial use of these new generation of sustainable materials for food packaging is still limited due to their low mechanical and barrier properties that could compromise the food quality and safety. Thus, strategies to improve the performance of these materials have been tested, such as chemical modifications, incorporation of reinforcing structures and others. Cold plasma is a versatile, fast and environmentally friendly technology. It consists of a partially ionized gas containing free electrons, ions, and radicals and neutral particles able to react with polymers and start different reactions, leading to the polymer degradation, functionalization, etching and/or cross-linking. In the present study, biodegradable films from fish protein prepared through the casting technique were plasma treated using an AC glow discharge equipment. The reactor was preliminary evacuated to ~7 Pa and the films were exposed to air plasma for 2, 5 and 8 min. The films were evaluated by their mechanical and water vapor permeability (WVP) properties and changes in the protein structure were observed using Scanning Electron Microscopy (SEM) and X-ray diffraction (XRD). Potential cross-links and elimination of surface defects by etching might be the reason for the increase in tensile strength and decrease in the elongation at break observed. Among the times of plasma application tested, no differences were observed when higher times of exposure were used. The X-ray pattern showed a broad peak at 2θ = 19.51º that corresponds to the distance of 4.6Å by applying the Bragg’s law. This distance corresponds to the average backbone distance within the α-helix. Thus, the changes observed in the films might indicate that the helical configuration of fish protein was disturbed by plasma treatment. SEM images showed surface damage in the films with 5 and 8 min of plasma treatment, indicating that 2 min was the most adequate time of treatment. It was verified that plasma removes water from the films once weight loss of 4.45% was registered for films treated during 2 min. However, after 24 h in 50% of relative humidity, the water lost was recovered. WVP increased from 0.53 to 0.65 g.mm/h.m².kPa after plasma treatment during 2 min, that is desired for some foods applications which require water passage through the packaging. In general, the plasma technology affects the properties and structure of fish protein films. Since this technology changes the surface of polymers, these films might be used to develop multilayer materials, as well as to incorporate active substances in the surface to obtain active packaging.

Keywords: fish protein films, food packaging, improvement of properties, plasma treatment

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Authors: Humraaz Kaja, Kofi Mensah, Frasia Oosthuizen

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Background and Aim: Vilazodone was approved in 2011 as an antidepressant to treat the major depressive disorder. As a relatively new drug, it is not clear if all adverse effects have been identified. The aim of this study was to review the adverse effects reported to the WHO Programme for International Drug Monitoring (PIDM) in order to add to the knowledge about the safety profile and adverse effects caused by vilazodone. Method: Data on adverse effects reported for vilazodone was obtained from the database VigiAccess managed by PIDM. Data was extracted from VigiAccess using Excel® and analyzed using descriptive statistics. The data collected was compared to the patient information leaflet (PIL) of Viibryd® and the FDA documents to determine adverse drug reactions reported post-marketing. Results: A total of 9708 adverse events had been recorded on VigiAccess, of which 6054 were not recorded on the PIL and the FDA approval document. Most of the reports were received from the Americas and were for adult women aged 45-64 years (24%, n=1059). The highest number of adverse events reported were for psychiatric events (19%; n=1889), followed by gastro-intestinal effects (18%; n=1839). Specific psychiatric disorders recorded included anxiety (316), depression (208), hallucination (168) and agitation (142). The systematic review confirmed several psychiatric adverse effects associated with the use of vilazodone. The findings of this study suggested that these common psychiatric adverse effects associated with the use of vilazodone were not known during the time of FDA approval of the drug and is not currently recorded in the patient information leaflet (PIL). Conclusions: In summary, this study found several adverse drug reactions not recorded in documents emanating from clinical trials pre-marketing. This highlights the importance of continued post-marketing surveillance of a drug, as well as the need for further studies on the psychiatric adverse events associated with vilazodone in order to improve the safety profile.

Keywords: adverse drug reactions, pharmacovigilance, post-marketing surveillance, vilazodone

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Authors: M.Ayazi, N. Golshan Ebrahimi

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The development of antibacterial surface has devoted extensive researches and important field due to the growing antimicrobial resistance strains. The superhydrophobic surface has raised attention because of reducing bacteria adhesion in the absence of antibiotic agents. Evaluating the current development antibacterial surface has to be investigating to consider the potential of applying superhydrophobic surface to reduce bacterial adhesion or role of patterned surfaces on it. In this study, we present different samples with bio-inspired hierarchical and microstructures to consider their ability in reducing bacterial adhesion. The structures have inspired from rice-like pattern and lotus-leaf that developed on the polydimethylsiloxane (PDMS) and polypropylene (PP). The results of the attachment behaviors have considered on two bacteria strains of gram-negative Escherichia coli (E. coli) bacteria and gram-positive Staphylococcus aureus (S. aureus). The reduction of bacteria adhesion on these roughness surfaces demonstrated the effectiveness of rinsing ability on removing bacterial cells on structured plastic surfaces. Results have also offered the important role of bacterial species, material chemistry and hierarchical structure to prevent bacterial adhesion.

Keywords: hierarchical structure, self-cleaning, lotus-effect, bactericidal

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Authors: Abdallah M. Abdelkawy, Tarek M. El Hossainya, I. El Mahallawib

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Recently, significant achievements have been made in development and manufacturing of nano-dispersed metal matrix nanocomposites (MMNCs). They gain their importance due to their high strength to weight ratio. The machining problems of these new materials are less widely investigated, thus this work focuses on machining of them. Aluminum-Silicon (A356)/ MMNC dispersed with alumina (Al2O3) is important in many applications include engine blocks. The final finish process of this application depends heavily on machining. The most important machining parameter studied includes: cutting force and surface roughness. Experimental trails are performed on the number of special samples of MMNC (with different Al2O3%) where the relation between Al2O3% and cutting speed, feed rate and cutting depth with cutting force and surface roughness were studied. The data obtained were statistically analyzed using Analysis of variance (ANOVA) to define the significant factors on both cutting force and surface roughness and their level of confident. Response Surface Methodology (RSM) is used to build a model relating cutting conditions and Al2O3% to the cutting force and surface roughness. The results have shown that feed and depth of cut have the major contribution on the cutting force and the surface roughness followed by cutting speed and nano-percent in MMNCs.

Keywords: machinability, cutting force, surface roughness, Ra, RSM, ANOVA, MMNCs

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Authors: Narek Margaryan, Zhozef Panosyan

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Due to their unique properties, carbon nanofilms have become the object of general attention and intensive research. In this case it plays a very important role to study surface properties of these films. It is also important to study processes of forming of this films, which is accompanied by a process of self-organization at the nano and micro levels. For more detailed investigation, we examined diamond-like carbon (DLC) layers deposited by chemical vapor deposition (CVD) method on Ge substrate and hydro-generated grapheme layers obtained on surface of colloidal solution using grouping method. In this report surface transformation of these CVD nanolayers is studied by atomic force microscopy (AFM) upon deposition time. Also, it can be successfully used to study surface properties of self-assembled grapheme layers. In turn, it is possible to sketch out their boundary line, which enables one to draw an idea of peculiarities of formation of these layers. Images obtained by AFM are investigated as a mathematical set of numbers and fractal and roughness analysis were done. Fractal dimension, Regne’s fractal coefficient, histogram, Fast Fourier transformation, etc. were obtained. The dependence of fractal parameters on the deposition duration for CVD films and on temperature of solution tribolayers was revealed. As an important surface parameter for our carbon films, surface energy was calculated as function of Regne’s fractal coefficient. Surface potential was also measured with Kelvin probe method using semi-contacting AFM. The dependence of surface potential on the deposition duration for CVD films and on temperature of solution for hydro-generated graphene was found as well. Results obtained by fractal analysis method was related with purly esperimental results for number of samples.

Keywords: nanostructured films, self-assembled grapheme, diamond-like carbon, surface potential, Kelvin probe method, fractal analysis

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Authors: Jeet Vijay Sah, Alphonsa Joseph, Pravin Kumari Dwivedi, Ghanshyam Jhala, Subroto Mukherjee

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AISI 304 is known for its corrosion resistance which comes from Cr that forms passive Cr₂O₃ on the surface. But its poor hardness makes it unsuitable for applications where the steel also requires high wear resistance. This can be improved by surface hardening using nitrocarburizing processes, which form ε-Fe2-3N, γ’-Fe4N, nitrides, and carbides of Cr and Fe on the surface and subsurface. These formed phases give the surface greater hardness, but the corrosion resistance drops because of the lack of Cr2O3 passivation as a result. To overcome this problem, plasma nitrocarburizing processes are being developed where the process temperatures are kept below 723 K to avoid Cr-N precipitation. In the presented work, low-temperature pulsed-DC plasma nitrocarburizing utilizing a discharge of N₂-H₂-C₂H₂ at 500 Pa with varying N₂:H₂ ratios was conducted on AISI 304 samples at 673 K. The process durations were also varied, and the samples were characterized by microindentation using Vicker’s hardness tester, corrosion resistances were established from electrochemical impedance studies, and corrosion potentials and corrosion currents were obtained by potentiodynamic polarization testing. XRD revealed S-phase, which is a supersaturated solid solution of N and C in the γ phase. The S-phase was observed to be composed of the expanded phases of γ; γN, γC, and γ’N and ε’N phases. Significant improvement in surface hardness was achieved after every process, which is attributed to the S-phase. Corrosion resistance was also found to improve after the processes. The samples were also characterized by XPS, SEM, and GDOES.

Keywords: AISI 304, surface engineering, nitrocarburizing, S-phase

Procedia PDF Downloads 106