Search results for: superhyrophobic surfaces
398 Titanium Nitride @ Nitrogen-doped Carbon Nanocage as High-performance Cathodes for Aqueous Zn-ion Hybrid Supercapacitors
Authors: Ye Ling, Ruan Haihui
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Aqueous Zn-ion hybrid supercapacitors (AZHSCs) pertain to a new type of electrochemical energy storage device that has received considerable attention. They integrate the advantages of high-energy Zn-ion batteries and high-power supercapacitors to meet the demand for low-cost, long-term durability, and high safety. Nevertheless, the challenge caused by the finite ion adsorption/desorption capacity of carbon electrodes gravely limits their energy densities. This work describes titanium nitride@nitrogen-doped carbon nanocage (TiN@NCNC) composite cathodes for AZHSCs to achieve a greatly improved energy density, and the composites can be facile synthesized based on the calcination of a mixture of tetrabutyl titanate and zeolitic imidazolate framework-8 in argon atmosphere. The resulting composites are featured by the ultra-fine TiN particles dispersed uniformly on the NCNC surfaces, enhancing the Zn2+ storage capabilities. Using TiN@NCNC cathodes, the AZHSCs can operate stably with a high energy density of 154 Wh kg-¹ at a specific power of 270 W kg-¹ and achieve a remarkable capacity retention of 88.9% after 104 cycles at 5 A g-¹. At an extreme specific power of 8.7 kW kg-1, the AZHSCs can retain an energy density of 97.2 Wh kg-1. With these results, we stress that the TiN@NCNC cathodes render high-performance AZHSCs, and the facile one-pot method can easily be scaled up, which enables AZHSCs a new energy-storage component for managing intermitted renewable energy sources.Keywords: Zn-ion hybrid supercapacitors, ion absorption/desorption reactions, titanium nitride, zeolitic imidazolate framework-8
Procedia PDF Downloads 52397 Modeling of Cold Tube Drawing with a Fixed Plug by Finite Element Method and Determination of Optimum Drawing Parameters
Authors: E. Yarar, E. A. Guven, S. Karabay
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In this study, a comprehensive simulation was made for the cold tube drawing with fixed plug. The cold tube drawing process is preferred due to its high surface quality and the high mechanical properties. In drawing processes applied to materials with low plastic deformability, cracks can occur on the surfaces and the process efficiency decreases. The aim of the work is to investigate the effects of different drawing parameters on drawing forces and stresses. In the simulations, optimum conditions were investigated for four different materials, Ti64Al4V, AA5052, AISI4140, and C365. One of the most important parameters for the cold drawing process is the die angle. Three dies were designed for the analysis with semi die angles of 5°, 10°, and 15°. Three different parameters were used for the friction coefficient between die and the material. In the simulations, reduction of area and the drawing speed is kept constant. Drawing is done in one pass. According to the simulation results, the highest drawing forces were obtained in Ti64Al4V. As the semi die angle increases, the drawing forces decrease. The change in semi die angle was most effective on Ti64Al4V. Increasing the coefficient of friction is another effect that increases the drawing forces. The increase in the friction coefficient has also increased in drawing stresses. The increase in die angle also increased the drawing stress distribution for the other three materials outside C365. According to the results of the analysis, it is found that the designed drawing die is suitable for drawing. The lowest drawing stress distribution and drawing forces were obtained for AA5052. Drawing die parameters have a direct effect on the results. In addition, lubricants used for drawing have a significant effect on drawing forces.Keywords: cold tube drawing, drawing force, drawing stress, semi die angle
Procedia PDF Downloads 166396 Carbonation of Wollastonite (001) competing Hydration: Microscopic Insights from Ion Spectroscopy and Density Functional Theory
Authors: Peter Thissen
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In this work, we report about the influence of the chemical potential of water on the carbonation reaction of wollastonite (CaSiO3) as model surface of cement and concrete. Total energy calculations based on density functional theory (DFT) combined with kinetic barrier predictions based on nudge elastic band (NEB) method show that the exposure of the water-free wollastonite surface to CO2 results in a barrier-less carbonation. CO2 reacts with the surface oxygen and forms carbonate (CO32-) complexes together with a major reconstruction of the surface. The reaction comes to a standstill after one carbonate monolayer has been formed. In case one water monolayer is covering the wollastonite surface, the carbonation is no more barrier-less, yet ending in a localized monolayer. Covered with multilayers of water, the thermodynamic ground state of the wollastonite completely changes due to a metal-proton exchange reaction (MPER, also called early stage hydration) and Ca2+ ions are partially removed from solid phase into the H2O/wollastonite interface. Mobile Ca2+ react again with CO2 and form carbonate complexes, ending in a delocalized layer. By means of high resolution time-of-flight secondary-ion mass-spectroscopy images (ToF-SIMS), we confirm that hydration can lead to a partially delocalization of Ca2+ ions on wollastonite surfaces. Finally, we evaluate the impact of our model surface results by means of Low Energy Ion Scattering (LEIS) spectroscopy combined with careful discussion about the competing reactions of carbonation vs. hydration.Keywords: Calcium-silicate, carbonation, hydration, metal-proton exchange reaction
Procedia PDF Downloads 363395 Microplastic Migration from Food Packaging on Cured Meat Products
Authors: Klytaimnistra Katsara, George Kenanakis, Eleftherios Alissandrakis, Vassilis M. Papadakis
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In recent decades, microplastics (MPs) attracted the interest of the research community as the level of environmental plastic pollution has increased over the years. Through air inhalation and food consumption, MPs enter the human body, creating a series of possible health issues. The majority of MPs enter through the digestive tract; they migrate from the plastic packaging of the foodstuffs. Several plastics, such as Polyethylene (PE), are commonly used as food packaging material due to their preservation and storage capabilities. In this work, the surfaces of three different cured meat products with varied fat compositions were studied (bacon, mortadella, and salami) to determine the migration of MPs from plastic packaging. Micro-Raman spectroscopic measurements were performed in an experimental set lasting 28 days, where the meat samples were stored in vacuum-sealed low-density polyethylene (LDPE) pouches under refrigeration conditions at 4°C. Specific measurement days (0, 3, 9, 12, 15, and 28 days of storage) were chosen to obtain comparative results. Raman micro-spectroscopy was used to monitor the MPs migration, where the Raman spectral profile of LDPE first appeared on day 9 in Bacon, day 15 in Salami, and finally, on day 28 in Mortadella. All the meat samples on day 28 were tainted because a layer of bacterial outgrowth had developed on their surface. In conclusion, MP migration from food packaging to the surface of the cured meat samples was proven. To minimize the consumption of MPs in cured meat products that are stored in plastic packaging, a short period of storage time under refrigeration conditions is advised.Keywords: cured meat, food packaging, low-density polyethylene, microplastic migration, micro-Raman spectroscopy
Procedia PDF Downloads 75394 Design Study on a Contactless Material Feeding Device for Electro Conductive Workpieces
Authors: Oliver Commichau, Richard Krimm, Bernd-Arno Behrens
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A growing demand on the production rate of modern presses leads to higher stroke rates. Commonly used material feeding devices for presses like grippers and roll-feeding systems can only achieve high stroke rates along with high gripper forces, to avoid stick-slip. These forces are limited by the sensibility of the surfaces of the workpieces. Stick-slip leads to scratches on the surface and false positioning of the workpiece. In this paper, a new contactless feeding device is presented, which develops higher feeding force without damaging the surface of the workpiece through gripping forces. It is based on the principle of the linear induction motor. A primary part creates a magnetic field and induces eddy currents in the electrically conductive material. A Lorentz-Force applies to the workpiece in feeding direction as a mutual reaction between the eddy-currents and the magnetic induction. In this study, the FEA model of this approach is shown. The calculation of this model was used to identify the influence of various design parameters on the performance of the feeder and thus showing the promising capabilities and limits of this technology. In order to validate the study, a prototype of the feeding device has been built. An experimental setup was used to measure pulling forces and placement accuracy of the experimental feeder in order to give an outlook of a potential industrial application of this approach.Keywords: conductive material, contactless feeding, linear induction, Lorentz-Force
Procedia PDF Downloads 179393 Eco-Friendly Polymeric Corrosion Inhibitor for Sour Oilfield Environment
Authors: Alireza Rahimi, Abdolreza Farhadian, Arash Tajik, Elaheh Sadeh, Avni Berisha, Esmaeil Akbari Nezhad
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Although natural polymers have been shown to have some inhibitory properties on sour corrosion, they are not considered very effective green corrosion inhibitors. Accordingly, effective corrosion inhibitors should be developed based on natural resources to mitigate sour corrosion in the oil and gas industry. Here, Arabic gum was employed as an eco-friendly precursor for the synthesis of innovative polyurethanes designed as highly efficient corrosion inhibitors for sour oilfield solutions. A comprehensive assessment, combining experimental and computational analyses, was conducted to evaluate the inhibitory performance of the inhibitor. Electrochemical measurements demonstrated that a concentration of 200 mM of the inhibitor offered substantial protection to mild steel against sour corrosion, yielding inhibition efficiencies of 98% and 95% at 25 ºC and 60 ºC, respectively. Additionally, the presence of the inhibitor led to a smoother steel surface, indicating the adsorption of polyurethane molecules onto the metal surface. X-ray photoelectron spectroscopy results further validated the chemical adsorption of the inhibitor on mild steel surfaces. Scanning Kelvin probe microscopy revealed a shift in the potential distribution of the steel surface towards negative values, indicating inhibitor adsorption and corrosion process inhibition. Molecular dynamic simulation indicated high adsorption energy values for the inhibitor, suggesting its spontaneous adsorption onto the Fe (110) surface. These findings underscore the potential of Arabic gum as a viable resource for the development of polyurethanes under mild conditions, serving as effective corrosion inhibitors for sour solutions.Keywords: environmental effect, Arabic gum, corrosion inhibitor, sour corrosion, molecular dynamics simulation
Procedia PDF Downloads 62392 Antibacterial Wound Dressing Based on Metal Nanoparticles Containing Cellulose Nanofibers
Authors: Mohamed Gouda
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Antibacterial wound dressings based on cellulose nanofibers containing different metal nanoparticles (CMC-MNPs) were synthesized using an electrospinning technique. First, the composite of carboxymethyl cellulose containing different metal nanoparticles (CMC/MNPs), such as copper nanoparticles (CuNPs), iron nanoparticles (FeNPs), zinc nanoparticles (ZnNPs), cadmium nanoparticles (CdNPs) and cobalt nanoparticles (CoNPs) were synthesized, and finally, these composites were transferred to the electrospinning process. Synthesized CMC-MNPs were characterized using scanning electron microscopy (SEM) coupled with high-energy dispersive X-ray (EDX) and UV-visible spectroscopy used to confirm nanoparticle formation. The SEM images clearly showed regular flat shapes with semi-porous surfaces. All MNPs were well distributed inside the backbone of the cellulose without aggregation. The average particle diameters were 29-39 nm for ZnNPs, 29-33 nm for CdNPs, 25-33 nm for CoNPs, 23-27 nm for CuNPs and 22-26 nm for FeNPs. Surface morphology, water uptake and release of MNPs from the nanofibers in water and antimicrobial efficacy were studied. SEM images revealed that electrospun CMC-MNPs nanofibers are smooth and uniformly distributed without bead formation with average fiber diameters in the range of 300 to 450 nm. Fiber diameters were not affected by the presence of MNPs. TEM images showed that MNPs are present in/on the electrospun CMC-MNPs nanofibers. The diameter of the electrospun nanofibers containing MNPs was in the range of 300–450 nm. The MNPs were observed to be spherical in shape. The CMC-MNPs nanofibers showed good hydrophilic properties and had excellent antibacterial activity against the Gram-negative bacteria Escherichia coli and the Gram-positive bacteria Staphylococcus aureus.Keywords: electrospinning technique, metal nanoparticles, cellulosic nanofibers, wound dressing
Procedia PDF Downloads 329391 Mode of Action of Surface Bound Antimicrobial Peptides Melimine and Mel4 against Pseudomonas aeruginosa
Authors: Muhammad Yasir, Debarun Dutta, Mark Willcox
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Biomaterial-associated infections are a multi-billion dollar burden globally. Antimicrobial peptide-based coatings may be able to prevent such infections. The aim of this study was to investigate the mechanism of action surface bound peptides (AMPs) against Pseudomonas aeruginosa 6294. Melimine and Mel4 were covalently attached to glass coverslips using azido-benzoic acid. Attachment was confirmed using X-ray photoelectron spectroscopy. P. aeruginosa was allowed to attach to AMP-coated glass for up to 6 hours. The effect of the surface-bound AMPs on bacterial cell membranes was evaluated using the dyes DiSC3-(5), Sytox green, SYTO 9 and propidium iodide with fluorescence microscopy. Release of cytoplasmic materials ATP and DNA/RNA were determined in the surrounding fluid. The amount of cell death was estimated by agar plate counts. The AMPs were successfully covalently bound to the glass as demonstrated by increases in %nitrogen of 3.6% (melimine) and 2.3% (Mel4) compared to controls. Immobilized peptides disrupted the cytoplasmic membrane potential of P. aeruginosa within 10 min. This was followed by the release of ATP after 2 h. Membrane permeabilization started at 3 h of contact with glass coated AMPs. There was a significant number of bacteria (59% for melimine; 36% for Mel-4) with damaged membranes after 4 h of contact. At the 6 h time point, release of DNA occurred with melimine releasing 2 times the amount of DNA/RNA than Mel4 surfaces (p < 0.05). Surface bound AMPs were able to disrupt cell membranes with subsequent release of cytoplasmic materials, and ultimately resulting in bacterial death.Keywords: biomaterials, immobilized antimicrobial peptides, P. aeruginosa, mode of action
Procedia PDF Downloads 136390 Mineralogy and Thermobarometry of Xenoliths in Basalt from the Chanthaburi-Trat Gem Fields, Thailand
Authors: Apichet Boonsoong
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In the Chanthaburi-Trat basalts, xenoliths are composed of essentially ultramafic xenoliths (particularly spinel lherzolite) with a few of an aggregate of feldspar. Some 19 ultramafic xenoliths were collected from 13 different locations. They range in size from 3.5 to 60mm across. Most are weathered and oxidized on the surface but fresh samples are obtained from cut surfaces. Chemical analyses were performed on carbon-coated polished thin sections using a fully automated CAMECA SX-50 electron microprobe (EMPA) in wavelength-dispersive mode. In thin section, they are seen to consist of variable amounts of olivine, clinopyroxene, orthopyroxene with minor spinel and plagioclase, and are classed as lherzolite. Modal compositions of the ultramafic nodules vary with olivine (60-75%), clinopyroxene (20-30%), orthopyroxene (0-15%), minor spinel (1-3%) and plagioclase (<1%). The essential minerals form an equigranular, medium- to coarse-grained, granoblastic texture, and all are in mutual contact indicating attainment of equilibrium. Reaction rims are common along the nodule margins and in some are also present along grain boundaries. Zoning occurs in clinopyroxene, and to a lesser extent in orthopyroxene. The homogeneity of mineral compositions in lherzolite xenoliths suggests the attainment of equilibrium. The equilibration temperatures of these xenoliths are estimated to be in the range of 973 to 1063°C. Pressure estimates are not so easily obtained because no suitable barometer exists for garnet-free lherzolites and so an indirect method was used. The general mineral assemblage of the lherzolite xenoliths and the absence of garnet indicate a pressure range of approximately 12–19kbar, which is equivalent to depths approximately of 38 to 60km.Keywords: chanthaburi-trat basalts, spinel lherzolite, xenoliths, 973 to 1063°C, 38 to 60km
Procedia PDF Downloads 120389 Heat Sink Optimization for a High Power Wearable Thermoelectric Module
Authors: Zohreh Soleimani, Sally Salome Shahzad, Stamatis Zoras
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As a result of current energy and environmental issues, the human body is known as one of the promising candidate for converting wasted heat to electricity (Seebeck effect). Thermoelectric generator (TEG) is one of the most prevalent means of harvesting body heat and converting that to eco-friendly electrical power. However, the uneven distribution of the body heat and its curvature geometry restrict harvesting adequate amount of energy. To perfectly transform the heat radiated by the body into power, the most direct solution is conforming the thermoelectric generators (TEG) with the arbitrary surface of the body and increase the temperature difference across the thermoelectric legs. Due to this, a computational survey through COMSOL Multiphysics is presented in this paper with the main focus on the impact of integrating a flexible wearable TEG with a corrugated shaped heat sink on the module power output. To eliminate external parameters (temperature, air flow, humidity), the simulations are conducted within indoor thermal level and when the wearer is stationary. The full thermoelectric characterization of the proposed TEG fabricated by a wavy shape heat sink has been computed leading to a maximum power output of 25µW/cm2 at a temperature gradient nearly 13°C. It is noteworthy that for the flexibility of the proposed TEG and heat sink, the applicability and efficiency of the module stay high even on the curved surfaces of the body. As a consequence, the results demonstrate the superiority of such a TEG to the most state of the art counterparts fabricated with no heat sink and offer a new train of thought for the development of self-sustained and unobtrusive wearable power suppliers which generate energy from low grade dissipated heat from the body.Keywords: device simulation, flexible thermoelectric module, heat sink, human body heat
Procedia PDF Downloads 151388 Numerical Analysis for Soil Compaction and Plastic Points Extension in Pile Drivability
Authors: Omid Tavasoli, Mahmoud Ghazavi
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A numerical analysis of drivability of piles in different geometry is presented. In this paper, a three-dimensional finite difference analysis for plastic point extension and soil compaction in the effect of pile driving is analyzed. Four pile configurations such as cylindrical pile, fully tapered pile, T-C pile consists of a top tapered segment and a lower cylindrical segment and C-T pile has a top cylindrical part followed by a tapered part are investigated. All piles which driven up to a total penetration depth of 16 m have the same length with equivalent surface area and approximately with identical material volumes. An idealization for pile-soil system in pile driving is considered for this approach. A linear elastic material is assumed to model the vertical pile behaviors and the soil obeys the elasto-plastic constitutive low and its failure is controlled by the Mohr-Coulomb failure criterion. A slip which occurred at the pile-soil contact surfaces along the shaft and the toe in pile driving procedures is simulated with interface elements. All initial and boundary conditions are the same in all analyses. Quiet boundaries are used to prevent wave reflection in the lateral and vertical directions for the soil. The results obtained from numerical analyses were compared with available other numerical data and laboratory tests, indicating a satisfactory agreement. It will be shown that with increasing the angle of taper, the permanent piles toe settlement increase and therefore, the extension of plastic points increase. These are interesting phenomena in pile driving and are on the safe side for driven piles.Keywords: pile driving, finite difference method, non-uniform piles, pile geometry, pile set, plastic points, soil compaction
Procedia PDF Downloads 484387 Development of Drying System for Dew Collection to Supplement Minimum Water Required for Grazing Plants in Arid Regions
Authors: Mohamed I. Alzarah
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Passive dew harvesting and rainwater collection requires a very small financial investment meanwhile they can exploit a free and clean source of water in rural or remote areas. Dew condensation on greenhouse dryer cladding and assorted other surfaces was frequently noticed. Accordingly, this study was performed in order to measure the quantity of condensation in the arid regions. Dew was measured by using three different kinds of collectors which were glass of flat plate solar collector, tempered glass of photovoltaic (PV) and double sloped (25°) acrylic plexiglas of greenhouse dryer. The total amount of dew collection for three different types of collectors was measured during December 2013 to March 2014 in Alahsa, Saudi Arabia. Meteorological data were collected for one year. The condensate dew drops were collected naturally (before scraping) and by scraping once and twice. Dew began to condense most likely between 12:00 am and 6:30 am and its intensity reached the peak at about 45 min before sunrise. The cumulative dew yield on double-sloped test roof was varying with wind speed and direction. Results indicated that, wiping twice gave more dew yield compared to wiping once or collection by gravity. Dew and rain pH were neutral (close to 7) and the total mineralization was considerable. The ions concentration agrees with the World Health Organization recommendations for potable water. Using existing drying system for dew and rain harvesting cold provide a potable water source for arid region.Keywords: PV module, flat plate solar collector, greenhouse, drying system, dew collection, water vapor, rainwater harvesting
Procedia PDF Downloads 339386 Effect of Roughness and Microstructure on Tribological Behaviour of 35NCD16 Steel
Authors: A. Jourani, C. Trevisiol, S. Bouvier
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The aim of this work is to study the coupled effect of microstructure and surface roughness on friction coefficient, wear resistance and wear mechanisms. Friction tests on 35NCD16 steel are performed under different normal loads (50-110 N) on a pin-on-plane configuration at cyclic sliding with abrasive silicon carbide grains ranging from 35 µm to 200 µm. To vary hardness and microstructure, the specimens are subjected to water quenching and tempering at various temperatures from 200°C to 600°C. The evolution of microstructures and wear mechanisms of worn surfaces are analyzed using scanning electron microscopy (SEM). For a given microstructure and hardness, the friction coefficient decreases with increasing of normal load and decreasing of the abrasive particle size. The wear rate increase with increasing of normal load and abrasive particle size. The results also reveal that there is a critical hardness Hcᵣᵢₜᵢcₐₗ around 430 Hv which maximizes the friction coefficient and wear rate. This corresponds to a microstructure transition from martensite laths to carbides and equiaxed grains, for a tempering around 400°C. Above Hcᵣᵢₜᵢcₐₗ the friction coefficient and the amount of material loss decrease with an increase of hardness and martensite volume fraction. This study also shows that the debris size and the space between the abrasive particles decrease with a reduction in the particle size. The coarsest abrasive grains lost their cutting edges, accompanied by particle damage and empty space due to the particle detachment from the resin matrix. The compact packing nature of finer abrasive papers implicates lower particle detachment and facilitates the clogging and the transition from abrasive to adhesive wear.Keywords: martensite, microstructure, friction, wear, surface roughness
Procedia PDF Downloads 159385 Mapping of Geological Structures Using Aerial Photography
Authors: Ankit Sharma, Mudit Sachan, Anurag Prakash
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Rapid growth in data acquisition technologies through drones, have led to advances and interests in collecting high-resolution images of geological fields. Being advantageous in capturing high volume of data in short flights, a number of challenges have to overcome for efficient analysis of this data, especially while data acquisition, image interpretation and processing. We introduce a method that allows effective mapping of geological fields using photogrammetric data of surfaces, drainage area, water bodies etc, which will be captured by airborne vehicles like UAVs, we are not taking satellite images because of problems in adequate resolution, time when it is captured may be 1 yr back, availability problem, difficult to capture exact image, then night vision etc. This method includes advanced automated image interpretation technology and human data interaction to model structures and. First Geological structures will be detected from the primary photographic dataset and the equivalent three dimensional structures would then be identified by digital elevation model. We can calculate dip and its direction by using the above information. The structural map will be generated by adopting a specified methodology starting from choosing the appropriate camera, camera’s mounting system, UAVs design ( based on the area and application), Challenge in air borne systems like Errors in image orientation, payload problem, mosaicing and geo referencing and registering of different images to applying DEM. The paper shows the potential of using our method for accurate and efficient modeling of geological structures, capture particularly from remote, of inaccessible and hazardous sites.Keywords: digital elevation model, mapping, photogrammetric data analysis, geological structures
Procedia PDF Downloads 686384 Geometric Model to Study the Mechanism of Machining and Predict the Damage Occurring During Milling of Unidirectional CFRP
Authors: Faisal Islam, J. Ramkumar
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The applications of composite materials in aerospace, sporting and automotive industries need high quality machined surfaces and dimensional accuracy. Some studies have been done to understand the fiber failure mechanisms encountered during milling machining of CFRP composites but none are capable of explaining the exact nature of the orientation-based fiber failure mechanisms encountered in the milling machining process. The objective of this work is to gain a better understanding of the orientation-based fiber failure mechanisms occurring on the slot edges during CFRP milling machining processes. The occurrence of damage is predicted by a schematic explanation based on the mechanisms of material removal which in turn depends upon fiber cutting angles. A geometric model based on fiber cutting angle and fiber orientation angle is proposed that defines the critical and safe zone during machining and predicts the occurrence of delamination. Milling machining experiments were performed on composite samples of varying fiber orientations to verify the proposed theory. Mean fiber pulled out length was measured from the microscopic images of the damaged area to quantify the amount of damage produced. By observing the damage occurring for different fiber orientation angles and fiber cutting angles for up-milling and down-milling edges and correlating it with the material removal mechanisms as described earlier, it can be concluded that the damage/delamination mainly depends on the portion of the fiber cutting angles that lies within the critical cutting angle zone.Keywords: unidirectional composites, milling, machining damage, delamination, carbon fiber reinforced plastics (CFRPs)
Procedia PDF Downloads 531383 Polymer Nanocoatings With Enhanced Self-Cleaning and Icephobic Properties
Authors: Bartlomiej Przybyszewski, Rafal Kozera, Katarzyna Zolynska, Anna Boczkowska, Daria Pakula
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The build-up and accumulation of dirt, ice, and snow on structural elements and vehicles is an unfavorable phenomenon, leading to economic losses and often also posing a threat to people. This problem occurs wherever the use of polymer coatings has become a standard, among others in photovoltaic farms, aviation, wind energy, and civil engineering. The accumulated pollution on the photovoltaic modules can reduce their efficiency by several percent, and snow stops power production. Accumulated ice on the blades of wind turbines or the wings of airplanes and drones disrupts the airflow by changing their shape, leading to increased drag and reduced efficiency. This results in costly maintenance and repairs. The goal of the work is to reduce or completely eliminate the accumulation of dirt, snow, and ice build-up on polymer coatings by achieving self-cleaning and icephobic properties. It is done by the use of a multi-step surface modification of the polymer nanocoatings. For this purpose, two methods of surface structuring and the preceding volumetric modification of the chemical composition with proprietary organosilicon compounds and/or mineral additives were used. To characterize the surface topography of the modified coatings, light profilometry was utilized. Measurements of the wettability parameters (static contact angle and contact angle hysteresis) on the investigated surfaces allowed to identify their wetting behavior and determine relation between hydrophobic and anti-icing properties. Ice adhesion strength was measured to assess coatings' anti-icing behavior.Keywords: anti-icing properties, self-cleaning, polymer coatings, icephobic coatings
Procedia PDF Downloads 110382 Effect of Glass Powder and GGBS on Strength of Fly Ash Based Geopolymer Concrete
Authors: I. Ramesha Mithanthaya, N. Bhavanishankar Rao
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In this study, the effect of glass powder (GP) and ground granulated blast furnace slag (GGBS) on the compressive strength of Fly ash based geopolymer concrete has been investigated. The mass ratio of fine aggregate (fA) to coarse aggregate (CA) was maintained constant. NAOH flakes dissolved in water was used as activating liquid and mixed with fly ash (FA) to produce geopolymer paste or cementing material. This paste was added to mixture of CA and fA to obtain geopolymer concrete. Cube samples were prepared from this concrete. The ranges of investigation parameters include GP/FA from 0% to 20%, and GGBS/ FA from 0% to 20% with constant amount of GP. All the samples were air cured inside laboratory under room temperature. Compressive strength of cube samples after 7 days and 28 days curing were determined. The test results are presented and discussed. Based on the results of limited tests a suitable composition of FA, GP and GGBS for constant quantity of CA and fA has been obtained to produce geopolymer concrete of M32. It is found that geopolymer concrete is 14% cheaper than concrete of same strength using OPC. The strength gain in the case of geo-polymer concrete is rather slow compared to that of Portland cement concrete. Tensile strength of this concrete was also determined by conducting flexure test on beam prepared using this concrete. During curing, up to 7days, greyish-white powder used to come out from all the surfaces of sample and it was found to be a mixture of Carbonates and Sulphides of Na, Mg and Fe. Detailed investigation is necessary to arrive at an optimum mixture composition for producing Geo-polymer concrete of required strength. Effect of greyish-white powder on the strength and durability of the concrete is to be studied.Keywords: geopolymer, industrial waste, green material, cost effective material, eco-friendly material
Procedia PDF Downloads 545381 Characterization of Oxide Layer Developed during Tribo-Interaction of Zircaloys
Authors: Bharat Kumar, Deepak Kumar, Vijay Chaudhry
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Zirconium alloys are used as core components of nuclear reactors due to their high wear resistance, good corrosion properties, and good mechanical stability at high temperatures. The present work simulates the contact between the calandria tube and the liquid injection shutdown system (LISS) nozzle. The Calandria tube is the outer covering of the pressure tube. Water flows inside the pressure tube through fuel claddings which produces vibration in the pressure tube along with vibration in the calandria tube. Fretting wear takes place at the point of contact between the calandria tube and the LISS nozzle. Fretting tests were performed under different conditions, such as; varying fretting duration (i.e., 1 to 4 hours), varying frequency (i.e., 5 to 6.5 Hz), and varying amplitude (100 to 400 µm). The formation of the oxide layer was observed during the fretting wear test; as a result, the worn product. The worn surfaces were analyzed with scanning electron microscopy (SEM) to analyze the wear mechanism involved in the fretting test, and Energy dispersive x-ray spectroscopy (EDS) and Raman spectroscopy were used to confirm the presence of an oxide layer on the worn surface. The oxide layer becomes more uniform with fretting duration in case of water submerged condition as compared to dry contact condition. The oxide layer is deeply removed at high amplitude due to the change of wear mechanism from adhesion to abrasion, as confirmed by the presence of micro ploughing and micro cutting. Low amplitude fretting favors the formation of the tribo-oxide layer.Keywords: tribo-oxide layer, wear, mechanically mixed layer, zircaloy
Procedia PDF Downloads 87380 Impact of Silicon Surface Modification on the Catalytic Performance Towards CO₂ Conversion of Cu₂S/Si-Based Photocathodes
Authors: Karima Benfadel, Lamia Talbi, Sabiha Anas Boussaa, Afaf Brik, Assia Boukezzata, Yahia Ouadah, Samira Kaci
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In order to prevent global warming, which is mainly caused by the increase in carbon dioxide levels in the atmosphere, it is interesting to produce renewable energy in the form of chemical energy by converting carbon dioxide into alternative fuels and other energy-dense products. Photoelectrochemical reduction of carbon dioxide to value-added products and fuels is a promising and current method. The objective of our study is to develop Cu₂S-based photoélectrodes, in which Cu₂S is used as a CO₂ photoelectrocatalyst deposited on nanostructured silicon substrates. Cu₂S thin layers were deposited using the chemical bath deposition (CBD) technique. Silicon nanowires and nanopyramids were obtained by alkaline etching. SEM and UV-visible spectroscopy was used to analyse the morphology and optical characteristics. By using a potentiostat station, we characterized the photoelectrochemical properties. We performed cyclic voltammetry in the presence and without CO₂ purging as well as linear voltammetry (LSV) in the dark and under white light irradiation. We perform chronoamperometry to study the stability of our photocathodes. The quality of the nanowires and nanopyramids was visible in the SEM images, and after Cu₂S deposition, we could see how the deposition was distributed over the textured surfaces. The inclusion of the Cu₂S layer applied on textured substrates significantly reduces the reflectance (R%). The catalytic performance towards CO₂ conversion of Cu₂S/Si-based photocathodes revealed that the texturing of the silicon surface with nanowires and pyramids has a better photoelectrochemical behavior than those without surface modifications.Keywords: CO₂ conversion, Cu₂S photocathode, silicone nanostructured, electrochemistry
Procedia PDF Downloads 80379 Production of Hydrophilic PVC Surfaces with Microwave Treatment for its Separation from Mixed Plastics by Froth Floatation
Authors: Srinivasa Reddy Mallampati, Chi-Hyeon Lee, Nguyen Thanh Truc, Byeong-Kyu Lee
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Organic polymeric materials (plastics) are widely used in our daily life and various industrial fields. The separation of waste plastics is important for its feedstock and mechanical recycling. One of the major problems in incineration for thermal recycling or heat melting for material recycling is the polyvinyl chloride (PVC) contained in waste plastics. This is due to the production of hydrogen chloride, chlorine gas, dioxins, and furans originated from PVC. Therefore, the separation of PVC from waste plastics is necessary before recycling. The separation of heavy polymers (PVC 1.42, PMMA 1.12, PC 1.22 and PET 1.27 g/cm3 ) from light ones (PE and PP 0.99 g/cm3) can be achieved on the basis of their density. However it is difficult to separate PVC from other heavy polymers basis of density. There are no simple and inexpensive techniques to separate PVC from others. If hydrophobic the PVC surface is selectively changed into hydrophilic, where other polymers still have hydrophobic surface, flotation process can separate PVC from others. In the present study, the selective surface hydrophilization of polyvinyl chloride (PVC) by microwave treatment after alkaline/acid washing and with activated carbon was studied as the pre-treatment of its separation by the following froth flotation. In presence of activated carbon as absorbent, the microwave treatment could selectively increase the hydrophilicity of the PVC surface (i.e. PVC contact angle decreased about 19o) among other plastics mixture. At this stage, 100% PVC separation from other plastics could be achieved by the combination of the pre- microwave treatment with activated carbon and the following froth floatation. The hydrophilization of PVC by surface analysis would be due to the hydrophilic groups produced by microwave treatment with activated carbon. The effect of optimum condition and detailed mechanism onto separation efficiency in the froth floatation was also investigated.Keywords: Hydrophilic, PVC, contact angle, additive, microwave, froth floatation, waste plastics
Procedia PDF Downloads 623378 Functionalized Magnetic Iron Oxide Nanoparticles for Extraction of Protein and Metal Nanoparticles from Complex Fluids
Authors: Meenakshi Verma, Mandeep Singh Bakshi, Kultar Singh
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Magnetic nanoparticles have received incredible importance in view of their diverse applications, which arise primarily due to their response to the external magnetic field. The magnetic behaviour of magnetic nanoparticles (NPs) helps them in numerous different ways. The most important amongst them is the ease with which they can be purified and also can be separated from the media in which they are present merely by applying an external magnetic field. This exceptional ease of separation of the magnetic NPs from an aqueous media enables them to use for extracting/removing metal pollutants from complex aqueous medium. Functionalized magnetic NPs can be subjected for the metallic impurities extraction if are favourably adsorbed on the NPs surfaces. We have successfully used the magnetic NPs as vehicles for gold and silver NPs removal from the complex fluids. The NPs loaded with gold and silver NPs pollutant fractions has been easily removed from the aqueous media by using external magnetic field. Similarly, we have used the magnetic NPs for extraction of protein from complex media and then constantly washed with pure water to eliminate the unwanted surface adsorbed components for quantitative estimation. The purified and protein loaded magnetic NPs are best analyzed with SDS Page to not only for characterization but also for separating the protein fractions. A collective review of the results indicates that we have synthesized surfactant coated iron oxide NPs and then functionalized these with selected materials. These surface active magnetic NPs work very well for the extraction of metallic NPs from the aqueous bulk and make the whole process environmentally sustainable. Also, magnetic NPs-Au/Ag/Pd hybrids have excellent protein extracting properties. They are much easier to use in order to extract the magnetic impurities as well as protein fractions under the effect of external magnetic field without any complex conventional purification methods.Keywords: magnetic nanoparticles, protein, functionalized, extraction
Procedia PDF Downloads 102377 Temporal Transformation of Built-up Area and its Impact on Urban Flooding in Hyderabad, India
Authors: Subbarao Pichuka, Amar Balakrishna Tej, Vikas Vemula
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In recent years, the frequency and intensity of urban floods have increased due to climate change all over the world provoking a significant loss in terms of human lives and property. This study investigates the effect of Land Use and Land Cover (LULC) changes and population growth on the urban environmental conditions in the Indian metropolitan city namely Hyderabad. The centennial built-up area data have been downloaded from the Global Human Settlement Layer (GHSL) web portal for various periods (1975 to 2014). The ArcGIS version 10.8 software is employed to convert the GHSL data into shape files and also to calculate the amount of built-up area in the study locations. The decadal population data are obtained from the Census from 1971 to 2011 and forecasted for the required years (1975 and 2014) utilizing the Geometric Increase Method. Next, the analysis has been carried out with respect to the increase in population and the corresponding rise in the built-up area. Further the effects of extreme rainfall events, which exacerbate urban flooding have also been reviewed. Results demonstrate that the population growth was the primary cause of the increase in impervious surfaces in the urban regions. It in turn leads to the intensification of surface runoff and thereby leads to Urban flooding. The built-up area has been doubled from 1975 to 2014 and the population growth has been observed between 109.24% to 400% for the past four decades (1971 to 2014) in the study area (Hyderabad). Overall, this study provides the hindsight on the current urban flooding scenarios, and the findings of this study can be used in the future planning of cities.Keywords: urban LULC change, urban flooding, GHSL built-up data, climate change, ArcGIS
Procedia PDF Downloads 82376 Fabrication of Uniform Nanofibers Using Gas Dynamic Virtual Nozzle Based Microfluidic Liquid Jet System
Authors: R. Vasireddi, J. Kruse, M. Vakili, M. Trebbin
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Here we present a gas dynamic virtual nozzle (GDVN) based microfluidic jetting devices for spinning of nano/microfibers. The device is fabricated by soft lithography techniques and is based on the principle of a GDVN for precise three-dimensional gas focusing of the spinning solution. The nozzle device is used to produce micro/nanofibers of a perfluorinated terpolymer (THV), which were collected on an aluminum substrate for scanning electron microscopy (SEM) analysis. The influences of air pressure, polymer concentration, flow rate and nozzle geometry on the fiber properties were investigated. It was revealed that surface properties are controlled by air pressure and polymer concentration while the diameter and shape of the fibers are influenced mostly by the concentration of the polymer solution and pressure. Alterations of the nozzle geometry had a negligible effect on the fiber properties, however, the jetting stability was affected. Round and flat fibers with differing surface properties from craters, grooves to smooth surfaces could be fabricated by controlling the above-mentioned parameters. Furthermore, the formation of surface roughness was attributed to the fast evaporation rate and velocity (mis)match between the polymer solution jet and the surrounding air stream. The diameter of the fibers could be tuned from ~250 nm to ~15 µm. Because of the simplicity of the setup, the precise control of the fiber properties, access to biocompatible nanofiber fabrication and the easy scale-up of parallel channels for high throughput, this method offers significant benefits compared to existing solution-based fiber production methods.Keywords: gas dynamic virtual nozzle (GDVN) principle, microfluidic device, spinning, uniform nanofibers
Procedia PDF Downloads 154375 Accuracy/Precision Evaluation of Excalibur I: A Neurosurgery-Specific Haptic Hand Controller
Authors: Hamidreza Hoshyarmanesh, Benjamin Durante, Alex Irwin, Sanju Lama, Kourosh Zareinia, Garnette R. Sutherland
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This study reports on a proposed method to evaluate the accuracy and precision of Excalibur I, a neurosurgery-specific haptic hand controller, designed and developed at Project neuroArm. Having an efficient and successful robot-assisted telesurgery is considerably contingent on how accurate and precise a haptic hand controller (master/local robot) would be able to interpret the kinematic indices of motion, i.e., position and orientation, from the surgeon’s upper limp to the slave/remote robot. A proposed test rig is designed and manufactured according to standard ASTM F2554-10 to determine the accuracy and precision range of Excalibur I at four different locations within its workspace: central workspace, extreme forward, far left and far right. The test rig is metrologically characterized by a coordinate measuring machine (accuracy and repeatability < ± 5 µm). Only the serial linkage of the haptic device is examined due to the use of the Structural Length Index (SLI). The results indicate that accuracy decreases by moving from the workspace central area towards the borders of the workspace. In a comparative study, Excalibur I performs on par with the PHANToM PremiumTM 3.0 and more accurate/precise than the PHANToM PremiumTM 1.5. The error in Cartesian coordinate system shows a dominant component in one direction (δx, δy or δz) for the movements on horizontal, vertical and inclined surfaces. The average error magnitude of three attempts is recorded, considering all three error components. This research is the first promising step to quantify the kinematic performance of Excalibur I.Keywords: accuracy, advanced metrology, hand controller, precision, robot-assisted surgery, tele-operation, workspace
Procedia PDF Downloads 336374 Corrosion Analysis and Interfacial Characterization of Al – Steel Metal Inert Gas Weld - Braze Dissimilar Joints by Micro Area X-Ray Diffraction Technique
Authors: S. S. Sravanthi, Swati Ghosh Acharyya
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Automotive light weighting is of major prominence in the current times due to its contribution in improved fuel economy and reduced environmental pollution. Various arc welding technologies are being employed in the production of automobile components with reduced weight. The present study is of practical importance since it involves preferential substitution of Zinc coated mild steel with a light weight alloy such as 6061 Aluminium by means of Gas Metal Arc Welding (GMAW) – Brazing technique at different processing parameters. However, the fabricated joints have shown the generation of Al – Fe layer at the interfacial regions which was confirmed by the Scanning Electron Microscope and Energy Dispersion Spectroscopy. These Al-Fe compounds not only affect the mechanical strength, but also predominantly deteriorate the corrosion resistance of the joints. Hence, it is essential to understand the phases formed in this layer and their crystal structure. Micro area X - ray diffraction technique has been exclusively used for this study. Moreover, the crevice corrosion analysis at the joint interfaces was done by exposing the joints to 5 wt.% FeCl3 solution at regular time intervals as per ASTM G 48-03. The joints have shown a decreased crevice corrosion resistance with increased heat intensity. Inner surfaces of welds have shown severe oxide cracking and a remarkable weight loss when exposed to concentrated FeCl3. The weight loss was enhanced with decreased filler wire feed rate and increased heat intensity.Keywords: automobiles, welding, corrosion, lap joints, Micro XRD
Procedia PDF Downloads 124373 Modeling Loads Applied to Main and Crank Bearings in the Compression-Ignition Two-Stroke Engine
Authors: Marcin Szlachetka, Mateusz Paszko, Grzegorz Baranski
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This paper discusses the AVL EXCITE Designer simulation research into loads applied to main and crank bearings in the compression-ignition two-stroke engine. There was created a model of engine lubrication system which covers the part of this system related to particular nodes of a bearing system, i.e. a connection of main bearings in an engine block with a crankshaft, a connection of crank pins with a connecting rod. The analysis focused on the load given as a distribution of hydrodynamic oil film pressure corresponding different values of radial internal clearance. There was also studied the impact of gas force on minimal oil film thickness in main and crank bearings versus crankshaft rotational speed. Our model calculates oil film parameters, an oil film pressure distribution, an oil temperature change and dimensions of bearings as well as an oil temperature distribution on surfaces of bearing seats. Accordingly, it was possible to select, for example, a correct clearance for each of the node bearings. The research was performed for several values of engine crankshaft speed ranging from 800 RPM to 4000 RPM. Bearing oil pressure was changed according to engine speed ranging between 1 bar and 5 bar and an oil temperature of 90°C. The main bearing clearances made initially for the calculation and research were: 0.015 mm, 0.025 mm, 0.035 mm, 0.05 mm, 0.1 mm. The oil used for the research corresponded the SAE 5W-40 classification. The paper presents the selected research results referring to certain specific operating points and bearing radial internal clearances. Acknowledgement: This work has been realized in the cooperation with The Construction Office of WSK ‘PZL-KALISZ’ S.A. and is part of Grant Agreement No. POIR.01.02.00-00-0002/15 financed by the Polish National Centre for Research and Development.Keywords: crank bearings, diesel engine, oil film, two-stroke engine
Procedia PDF Downloads 215372 Numerical Simulation of a Combined Impact of Cooling and Ventilation on the Indoor Environmental Quality
Authors: Matjaz Prek
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Impact of three different combinations of cooling and ventilation systems on the indoor environmental quality (IEQ) has been studied. Comparison of chilled ceiling cooling in combination with displacement ventilation, cooling with fan coil unit and cooling with flat wall displacement outlets was performed. All three combinations were evaluated from the standpoint of whole-body and local thermal comfort criteria as well as from the standpoint of ventilation effectiveness. The comparison was made on the basis of numerical simulation with DesignBuilder and Fluent. Numerical simulations were carried out in two steps. Firstly the DesignBuilder software environment was used to model the buildings thermal performance and evaluation of the interaction between the environment and the building. Heat gains of the building and of the individual space, as well as the heat loss on the boundary surfaces in the room, were calculated. In the second step Fluent software environment was used to simulate the response of the indoor environment, evaluating the interaction between building and human, using the simulation results obtained in the first step. Among the systems presented, the ceiling cooling system in combination with displacement ventilation was found to be the most suitable as it offers a high level of thermal comfort with adequate ventilation efficiency. Fan coil cooling has proved inadequate from the standpoint of thermal comfort whereas flat wall displacement outlets were inadequate from the standpoint of ventilation effectiveness. The study showed the need in evaluating indoor environment not solely from the energy use point of view, but from the point of view of indoor environmental quality as well.Keywords: cooling, ventilation, thermal comfort, ventilation effectiveness, indoor environmental quality, IEQ, computational fluid dynamics
Procedia PDF Downloads 187371 Spontaneous Generation of Wrinkled Patterns on pH-Sensitive Smart-Hydrogel Films
Authors: Carmen M. Gonzalez-Henriquez, Mauricio A. Sarabia-Vallejos, Juan Rodriguez-Hernandez
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DMAEMA, as a monomer, has been widely studied and used in several application fields due to their pH-sensitive capacity (tertiary amine protonation), being relevant in the biomedical area as a potential carrier for drugs focused on the treatment of genetic or acquired diseases (efficient gene transfection), among others. Additionally, the inhibition of bacterial growth and, therefore, their antimicrobial activity, can be used as dual-functional antifogging/antimicrobial polymer coatings. According to their interesting physicochemical characteristics and biocompatible properties, DMAEMA was used as a monomer to synthesize a smart pH-sensitive hydrogel, namely poly(HEMA-co-PEGDA575-co-DMAEMA). Thus, different mole ratios (ranging from 5:1:0 to 0:1:5, according to the mole ratio between HEMA, PEGDA, and DEAEMA, respectively) were used in this research. The surface patterns formed via a two-step polymerization (redox- and photo-polymerization) were first chemically studied via 1H-NMR and elemental analysis. Secondly, the samples were morphologically analyzed by using Field-Emission Scanning Electron Microscopy (FE-SEM) and Atomic Force Microscopy (AFM) techniques. Then, a particular relation between HEMA, PEGDA, and DEAEMA (0:1:5) was also characterized at three different pH (5.4, 7.4 and 8.3). The hydrodynamic radius and zeta potential of the micro-hydrogel particles (emulsion) were carried out as a possible control for morphology, exploring the effect that produces hydrogel micelle dimensions in the wavelength, height, and roughness of the wrinkled patterns. Finally, contact angle and cross-hatch adhesion test was carried out for the hydrogels supported on glass using TSM-silanized surfaces in order to measure their mechanical properties.Keywords: wrinkled patterns, smart pH-sensitive hydrogels, hydrogel micelle diameter, adhesion tests
Procedia PDF Downloads 206370 Effects of Substrate Roughness on E-Cadherin Junction of Oral Keratinocytes
Authors: Sungpyo Kim, Changseok Oh, Ga-Young Lee, Hyun-Man Kim
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Intercellular junction of keratinocytes is crucial for epithelia to build an epithelial barrier. Junctional epithelium (JE) seals the interfaces between tooth and gingival tissue. Keratinocytes of JE attach to surfaces roughened by abrasion or erosion with aging. Thus behavior of oral keratinocytes on the rough substrates may help understand the epithelial seal of JE of which major intercellular junction is E-cadherin junction (ECJ). The present study investigated the influence of various substrate roughnesses on the development of ECJ between normal human gingival epithelial keratinocytes, HOK-16B cells. HOK-16B cells were slow in the development of ECJ on the rough substrates compared to on the smooth substrates. Furthermore, oral keratinocytes on the substrates of higher roughnesses were delayed in the development of E-cadherin junction than on the substrates of lower roughnesses. Delayed development of E-cadherin junction on the rough substrates was ascribed to the impaired spreading of cells and its higher JNK activity. Cells on the smooth substrates rapidly spread wide cytoplasmic extensions around cells. However, cells on the rough substrates slowly extended narrow cytoplasmic extensions of which number was limited due to the substrate irregularity. As these cytoplasmic extensions formed ECJ when met with the extensions of neighboring cells, thus, the present study demonstrated that a limited chance of contacts between cytoplasmic extensions due to the limited number of cytoplasmic extensions and slow development of cytoplasmic extensions brought about a delayed development of ECJ in oral keratinocytes on the rougher substrates. Sealing between cells was not complete because only part of cell membrane contributes to the formation of intercellular junction between cells on the substrates of higher roughnesses. Interestingly, inhibition of JNK activity promoted the development of ECJ on the rough substrates, of which mechanism remains to be studied further.Keywords: substrate roughness, E-cadherin junction, oral keratinocyte, cell spreading, JNK
Procedia PDF Downloads 383369 Temperature and Substrate Orientation Effects on the Thermal Stability of Graphene Sheet Attached on the Si Surface
Authors: Wen-Jay Lee, Kuo-Ning Chiang
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The graphene binding with silicon substrate has apparently Schottky barriers property, which can be used in the application of solar cell and light source. Because graphene has only one atom layer, the atomistic structure of graphene binding with the silicon surface plays an important role to affect the properties of graphene. In this work, temperature effect on the morphology of graphene sheet attached on different crystal planes of silicon substrates are investigated by Molecular dynamics (MD) (LAMMPS, developed by Sandia National Laboratories). The results show that the covered graphene sheet would cause the structural deformation of the surface Si atoms of stubtrate. To achieve a stable state in the binding process, the surface Si atoms would adjust their position and fit the honeycomb structure of graphene after the graphene attaches to the Si surface. The height contour of graphene on different plane of silicon surfaces presents different pattern, leading the local residual stress at the interface. Due to the high density of dangling bond on the Si (111)7x7 surface, the surface of Si(111)7x7 is not matching with the graphene so well in contrast with Si(100)2x1and Si(111)2x1. Si(111)7x7 is found that only partial silicon adatoms are rearranged on surface after the attachment when the temperature is lower than 200K, As the temperature gradually increases, the deformation of surface structure becomes significant, as well as the residue stress. With increasing temperature till the 815K, the graphene sheet begins to destroy and mixes with the silicon atoms. For the Si(100)2x1 and Si(111)2x1, the silicon surface structure keep its structural arrangement with a higher temperature. With increasing temperature, the residual stress gradually decrease till a critical temperatures. When the temperature is higher than the critical temperature, the residual stress gradually increases and the structural deformation is found on the surface of the Si substrates.Keywords: molecular dynamics, graphene, silicon, Schottky barriers, interface
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