Search results for: ultra-low-loss optical fibers
462 Halogenated Methoxy- and Methyl-benzoic Acids: Joint Experimental and DFT Study For Molecular Structure, Vibrational Analysis, and Other Molecular Properties
Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy
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Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids
Procedia PDF Downloads 70461 FSO Performance under High Solar Irradiation: Case Study Qatar
Authors: Syed Jawad Hussain, Abir Touati, Farid Touati
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Free-Space Optics (FSO) is a wireless technology that enables the optical transmission of data though the air. FSO is emerging as a promising alternative or complementary technology to fiber optic and wireless radio-frequency (RF) links due to its high-bandwidth, robustness to EMI, and operation in unregulated spectrum. These systems are envisioned to be an essential part of future generation heterogeneous communication networks. Despite the vibrant advantages of FSO technology and the variety of its applications, its widespread adoption has been hampered by rather disappointing link reliability for long-range links due to atmospheric turbulence-induced fading and sensitivity to detrimental climate conditions. Qatar, with modest cloud coverage, high concentrations of airborne dust and high relative humidity particularly lies in virtually rainless sunny belt with a typical daily average solar radiation exceeding 6 kWh/m2 and 80-90% clear skies throughout the year. The specific objective of this work is to study for the first time in Qatar the effect of solar irradiation on the deliverability of the FSO Link. In order to analyze the transport media, we have ported Embedded Linux kernel on Field Programmable Gate Array (FPGA) and designed a network sniffer application that can run into FPGA. We installed new FSO terminals and configure and align them successively. In the reporting period, we carry out measurement and relate them to weather conditions.Keywords: free space optics, solar irradiation, field programmable gate array, FSO outage
Procedia PDF Downloads 354460 Electrochemical Synthesis of ZnTe and Cu-ZnTe Thin Films for Low Resistive Ohmic Back Contact for CdS/CdTe Solar Cells
Authors: Shivaji M. Sonawane, N. B. Chaure
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ZnTe is direct band gap, the P-type semiconductor with the high absorption coefficient of the order of 104cm-1 is suitable for solar cell development. It can be used as a low resistive ohmic contact to CdS/CdTe or tandem solar cell application. ZnTe and Cu-ZnTe thin film have been electrochemically synthesized on to fluorine-doped tin oxide coated glass substrates using three electrode systems containing Ag/AgCl, graphite and FTO as reference, counter and working electrode respectively were used to deposit the thin films. The aqueous electrolytic solution consist of 0.5M TeO2, 0.2M ZnSO4, and 0.1M Na3C6H5O7:2H2O, 0.1MC6H8O7:H2O and 0.1mMCuSO4 with PH 2.5 at room temperature was used. The reaction mechanism is studied in the cyclic voltammetry to identify the deposition potentials of ZnTe and Cu-ZnTe.The potential was optimized in the range -0,9 to -1,1 V. Vs Ag/AgCl reference electrode. The effect of deposition potential on the structural properties was studied by using X-ray diffraction. The X-ray diffraction result reveled cubic crystal structure of ZnTe with preferential (111) orientation with cubic structure. The surface morphology and film composition were analyzed by means of Scanning electron microscopy (SEM) and Energy Dispersive Analysis of X- Rays (EDAX). The optical absorption measurement has been analyzed for the band gap determination of deposited layers about 2.26 eV by UV-Visible spectroscopy. The drastic change in resistivity has been observed due to incorporation of copper probably due to the diffusion of Cu into grain boundaries.Keywords: ohmic back contact, zinc telluride, electrodeposition, photovoltaic devices
Procedia PDF Downloads 217459 Coupled Effect of Pulsed Current and Stress State on Fracture Behavior of Ultrathin Superalloy Sheet
Authors: Shuangxin Wu
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Superalloy ultra-thin-walled components occupy a considerable proportion of aero engines and play an increasingly important role in structural weight reduction and performance improvement. To solve problems such as high deformation resistance and poor formability at room temperature, the introduction of pulse current in the processing process can improve the plasticity of metal materials, but the influence mechanism of pulse current on the forming limit of superalloy ultra-thin sheet is not clear, which is of great significance for determining the material processing window and improving the micro-forming process. The effect of pulse current on the microstructure evolution of superalloy thin plates was observed by optical microscopy (OM) and X-ray diffraction topography (XRT) by applying pulse current to GH3039 with a thickness of 0.2mm under plane strain and uniaxial tensile states. Compared with the specimen without pulse current applied at the same temperature, the internal void volume fraction is significantly reduced, reflecting the non-thermal effect of pulse current on the growth of micro-pores. ED (electrically deforming) specimens have larger and deeper dimples, but the elongation is not significantly improved because the pulse current promotes the void coalescence process, resulting in material fracture. The electro-plastic phenomenon is more obvious in the plane strain state, which is closely related to the effect of stress triaxial degree on the void evolution under pulsed current.Keywords: pulse current, superalloy, ductile fracture, void damage
Procedia PDF Downloads 58458 Photocatalytic Degradation of Nd₂O₃@SiO₂ Core-Shell Nanocomposites Under UV Irradiation Against Methylene Blue and Rhodamine B Dyes
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Over the past years, industrial dyes have emerged as a significant threat to aquatic life, extensively detected in drinking water and groundwater, thus contributing to water pollution due to their improper and excessive use. To address this issue, the utilization of core-shell structures has been prioritized as it demonstrates remarkable efficiency in utilizing light energy for catalytic reactions and exhibiting excellent photocatalytic activity despite the availability of various photocatalysts. This work focuses on the photocatalytic degradation of Nd₂O₃@SiO₂ CSNs under UV light irradiation against MB and RhB dyes. Different characterization techniques, including XRD, FTIR, and TEM analyses, were employed to reveal the material's structure, functional groups, and morphological features. VSM and XPS analyses confirmed the soft, paramagnetic nature and chemical states with respective atomic percentages, respectively. Optical band gaps, determined using the Tauc plot model, indicated 4.24 eV and 4.13 eV for Nd₂O₃ NPs and Nd₂O₃@SiO₂ CSNs, respectively. The reduced bandgap energy of Nd₂O₃@SiO₂ CSNs enhances light absorption in the UV range, potentially leading to improved photocatalytic efficiency. The Nd₂O₃@SiO₂ CSNs exhibited greater degradation efficiency, reaching 95% and 96% against MB and RhB dyes, while Nd₂O₃ NPs showed 90% and 92%, respectively. The enhanced efficiency of Nd₂O₃@SiO₂ CSNs can be attributed to the larger specific surface area provided by the SiO₂ shell, as confirmed by surface area analysis using the BET surface area analyzer through N₂ adsorption-desorption.Keywords: core shell nanocomposites, rare earth oxides, photocatalysis, advanced oxidation process
Procedia PDF Downloads 54457 Effect of Zirconium (Zr) Amount on Mechanical and Metallurgical Behavior of ZE41A Magnesium Alloy
Authors: Emrah Yaliniz, Ali Kalkanli
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ZE41A magnesium alloy has been extensively used in aerospace industry, especially for use in rotorcraft transmission casings. Due to the improved mechanical properties, the latest generation of magnesium casting alloy EV31A-T6 (Elektron 21® specified in AMS 4429) is seen as a potential replacement for ZE41A in terms of strength. Therefore, the necessity of enhancement has been arisen for ZE41A in order to avoid fully replacement. The main element affecting the strength of ZE41A is Zirconium (Zr), which acts as a grain refiner. The specified range of Zr element for ZE41A alloy is between 0.4 wt % and 1.0 wt % (unless otherwise stated by weight percentage after this point) as stated in AMS 4439. This paper investigates the effects of Zr amount on tensile and metallurgical properties of ZE41A magnesium alloy. The Zr alloying amount for the research has been chosen as 0.5 % and 1 %, which are standard amounts in a commercial alloy (average of 0.4-0.6%) and maximum percent in the standard, separately. 1 % Zr amount has been achieved via Zirmax (66.7 Mg-33.3 Zr) master alloy addition. The ultimate tensile strength of ZE41A with 1% Zr has been increased up to about 220-225 MPa in comparison to 200 MPa given in AMS 4439. The reason for the increase in strength with the addition of Zirmax is based on the decrease in grain size, which was measured about 30 µm. Optical microscope, scanning electron microscopy (SEM) and X-ray Diffraction (XRD) were used to detect the change in the microstructural futures via alloying. The zirconium rich coring at the center of the grains was observed in addition to the grain boundary intermetallic phases and bulk Mg-rich matrix. The solidification characteristics were also identified by using the cooling curve obtained from the sand casting mold during cooling of the alloys.Keywords: aerospace, grain refinement, magnesium, sand casting, ZE41A
Procedia PDF Downloads 313456 The Effect of Combined Fluid Shear Stress and Cyclic Stretch on Endothelial Cells
Authors: Daphne Meza, Louie Abejar, David A. Rubenstein, Wei Yin
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Endothelial cell (ECs) morphology and function is highly impacted by the mechanical stresses these cells experience in vivo. Any change in the mechanical environment can trigger pathological EC responses. A detailed understanding of EC morphological response and function upon subjection to individual and simultaneous mechanical stimuli is needed for advancement in mechanobiology and preventive medicine. To investigate this, a programmable device capable of simultaneously applying physiological fluid shear stress (FSS) and cyclic strain (CS) has been developed, characterized and validated. Its validation was performed both experimentally, through tracer tracking, and theoretically, through the use of a computational fluid dynamics model. The effectiveness of the device was evaluated through EC morphology changes under mechanical loading conditions. Changes in cell morphology were evaluated through: cell and nucleus elongation, cell alignment and junctional actin production. The results demonstrated that the combined FSS-CS stimulation induced visible changes in EC morphology. Upon simultaneous fluid shear stress and biaxial tensile strain stimulation, cells were elongated and generally aligned with the flow direction, with stress fibers highlighted along the cell junctions. The concurrent stimulation from shear stress and biaxial cyclic stretch led to a significant increase in cell elongation compared to untreated cells. This, however, was significantly lower than that induced by shear stress alone, indicating that the biaxial tensile strain may counteract the elongating effect of shear stress to maintain the shape of ECs. A similar trend was seen in alignment, where the alignment induced by the concurrent application of shear stress and cyclic stretch fell in between that induced by shear stress and tensile stretch alone, indicating the opposite role shear stress and tensile strain may play in cell alignment. Junctional actin accumulation was increased upon shear stress alone or simultaneously with tensile stretch. Tensile stretch alone did not change junctional actin accumulation, indicating the dominant role of shear stress in damaging EC junctions. These results demonstrate that the shearing-stretching device is capable of applying well characterized dynamic shear stress and tensile strain to cultured ECs. Using this device, EC response to altered mechanical environment in vivo can be characterized in vitro.Keywords: cyclic stretch, endothelial cells, fluid shear stress, vascular biology
Procedia PDF Downloads 372455 Effects of Different Mechanical Treatments on the Physical and Chemical Properties of Turmeric
Authors: Serpa A. M., Gómez Hoyos C., Velásquez-Cock J. A., Ruiz L. F., Vélez Acosta L. M., Gañan P., Zuluaga R.
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Turmeric (Curcuma Longa L) is an Indian rhizome known for its biological properties, derived from its active compounds such as curcuminoids. Curcumin, the main polyphenol in turmeric, only represents around 3.5% of the dehydrated rhizome and extraction yields between 41 and 90% have been reported. Therefore, for every 1000 tons of turmeric powder used for the extraction of curcumin, around 970 tons of residues are generated. The present study evaluates the effect of different mechanical treatments (waring blender, grinder and high-pressure homogenization) on the physical and chemical properties of turmeric, as an alternative for the transformation of the entire rhizome. Suspensions of turmeric (10, 20 y 30%) were processed by waring blender during 3 min at 12000 rpm, while the samples treated by grinder were processed evaluating two different Gaps (-1 and -1,5). Finally, the process by high-pressure homogenization, was carried out at 500 bar. According to the results, the luminosity of the samples increases with the severity of the mechanical treatment, due to the stabilization of the color associated with the inactivation of the oxidative enzymes. Additionally, according to the microstructure of the samples, the process by grinder (Gap -1,5) and by high-pressure homogenization allowed the largest size reduction, reaching sizes up to 3 m (measured by optical microscopy). This processes disrupts the cells and breaks their fragments into small suspended particles. The infrared spectra obtained from the samples using an attenuated total reflectance accessory indicates changes in the 800-1200 cm⁻¹ region, related mainly to changes in the starch structure. Finally, the thermogravimetric analysis shows the presence of starch, curcumin and some minerals in the suspensions.Keywords: characterization, mechanical treatments, suspensions, turmeric rhizome
Procedia PDF Downloads 157454 Failure Analysis of Fuel Pressure Supply from an Aircraft Engine
Authors: M. Pilar Valles-gonzalez, Alejandro Gonzalez Meije, Ana Pastor Muro, Maria Garcia-Martinez, Beatriz Gonzalez Caballero
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This paper studies a failure case of a fuel pressure supply tube from an aircraft engine. Multiple fracture cases of the fuel pressure control tube from aircraft engines have been reported. The studied set was composed of the mentioned tube, a welded connecting pipe, where the fracture has been produced, and a union nut. The fracture has been produced in one most critical zones of the tube, in a region next to the supporting body of the union nut to the connector. The tube material was X6CrNiTi18-10, an austenitic stainless steel. Chemical composition was determined using an X-Ray fluorescence spectrometer (XRF) and combustion equipment. Furthermore, the material has been mechanical, by hardness test, and microstructural characterized using a stereomicroscope and an optical microscope. The results confirmed that it is within specifications. To determine the macrofractographic features, a visual examination and a stereo microscope of the tube fracture surface have been carried out. The results revealed a tube plastic macrodeformation, surface damaged, and signs of a possible corrosion process. Fracture surface was also inspected by scanning electron microscopy (FE-SEM), equipped with a microanalysis system by X-ray dispersive energy (EDX), to determine the microfractographic features in order to find out the failure mechanism involved in the fracture. Fatigue striations, which are typical from a progressive fracture by a fatigue mechanism, have been observed. The origin of the fracture has been placed in defects located on the outer wall of the tube, leading to a final overload fracture.Keywords: aircraft engine, fatigue, FE-SEM, fractography, fracture, fuel tube, microstructure, stainless steel
Procedia PDF Downloads 145453 A Comparative Study of Single- and Multi-Walled Carbon Nanotube Incorporation to Indium Tin Oxide Electrodes for Solar Cells
Authors: G. Gokceli, O. Eksik, E. Ozkan Zayim, N. Karatepe
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Alternative electrode materials for optoelectronic devices have been widely investigated in recent years. Since indium tin oxide (ITO) is the most preferred transparent conductive electrode, producing ITO films by simple and cost-effective solution-based techniques with enhanced optical and electrical properties has great importance. In this study, single- and multi-walled carbon nanotubes (SWCNT and MWCNT) incorporated into the ITO structure to increase electrical conductivity, mechanical strength, and chemical stability. Carbon nanotubes (CNTs) were firstly functionalized by acid treatment (HNO3:H2SO4), and the thermal resistance of CNTs after functionalization was determined by thermogravimetric analysis (TGA). Thin films were then prepared by spin coating technique and characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), four-point probe measurement system and UV-Vis spectrophotometer. The effects of process parameters were compared for ITO, MWCNT-ITO, and SWCNT-ITO films. Two factors including CNT concentration and annealing temperature were considered. The UV-Vis measurements demonstrated that the transmittance of ITO films was 83.58% at 550 nm, which was decreased depending on the concentration of CNT dopant. On the other hand, both CNT dopants provided an enhancement in the crystalline structure and electrical conductivity. Due to compatible diameter and better dispersibility of SWCNTs in the ITO solution, the best result in terms of electrical conductivity was obtained by SWCNT-ITO films with the 0.1 g/L SWCNT dopant concentration and heat-treatment at 550 °C for 1 hour.Keywords: CNT incorporation, ITO electrode, spin coating, thin film
Procedia PDF Downloads 110452 Phytoextraction of Copper and Zinc by Willow Varieties in a Pot Experiment
Authors: Muhammad Mohsin, Mir Md Abdus Salam, Pertti Pulkkinen, Ari Pappinen
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Soil and water contamination by heavy metals is a major challenging issue for the environment. Phytoextraction is an emerging, environmentally friendly and cost-efficient technology in which plants are used to eliminate pollutants from the soil and water. We aimed to assess the copper (Cu) and zinc (Zn) removal efficiency by two willow varieties such as Klara (S. viminalis x S. schwerinii x S. dasyclados) and Karin ((S.schwerinii x S. viminalis) x (S. viminalis x S.burjatica)) under different soil treatments (control/unpolluted, polluted, lime with polluted, wood ash with polluted). In 180 days of pot experiment, these willow varieties were grown in a highly polluted soil collected from Pyhasalmi mining area in Finland. The lime and wood ash were added to the polluted soil to improve the soil pH and observe their effects on metals accumulation in plant biomass. The Inductively Coupled Plasma Optical Emission Spectrometer (ELAN 6000 ICP-EOS, Perkin-Elmer Corporation) was used in this study to assess the heavy metals concentration in the plant biomass. The result shows that both varieties of willow have the capability to accumulate the considerable amount of Cu and Zn varying from 36.95 to 314.80 mg kg⁻¹ and 260.66 to 858.70 mg kg⁻¹, respectively. The application of lime and wood ash substantially affected the stimulation of the plant height, dry biomass and deposition of Cu and Zn into total plant biomass. Besides, the lime application appeared to upsurge Cu and Zn concentrations in the shoots and leaves in both willow varieties when planted in polluted soil. However, wood ash application was found more efficient to mobilize the metals in the roots of both varieties. The study recommends willow plantations to rehabilitate the Cu and Zn polluted soils.Keywords: heavy metals, lime, phytoextraction, wood ash, willow
Procedia PDF Downloads 225451 Yawning Computing Using Bayesian Networks
Authors: Serge Tshibangu, Turgay Celik, Zenzo Ncube
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Road crashes kill nearly over a million people every year, and leave millions more injured or permanently disabled. Various annual reports reveal that the percentage of fatal crashes due to fatigue/driver falling asleep comes directly after the percentage of fatal crashes due to intoxicated drivers. This percentage is higher than the combined percentage of fatal crashes due to illegal/Un-Safe U-turn and illegal/Un-Safe reversing. Although a relatively small percentage of police reports on road accidents highlights drowsiness and fatigue, the importance of these factors is greater than we might think, hidden by the undercounting of their events. Some scenarios show that these factors are significant in accidents with killed and injured people. Thus the need for an automatic drivers fatigue detection system in order to considerably reduce the number of accidents owing to fatigue.This research approaches the drivers fatigue detection problem in an innovative way by combining cues collected from both temporal analysis of drivers’ faces and environment. Monotony in driving environment is inter-related with visual symptoms of fatigue on drivers’ faces to achieve fatigue detection. Optical and infrared (IR) sensors are used to analyse the monotony in driving environment and to detect the visual symptoms of fatigue on human face. Internal cues from drivers faces and external cues from environment are combined together using machine learning algorithms to automatically detect fatigue.Keywords: intelligent transportation systems, bayesian networks, yawning computing, machine learning algorithms
Procedia PDF Downloads 450450 Chemical Characterization and Prebiotic Effect of Water-Soluble Polysaccharides from Zizyphus lotus Leaves
Authors: Zakaria Boual, Abdellah Kemassi, Toufik Chouana, Philippe Michaud, Mohammed Didi Ould El Hadj
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In order to investigate the prebiotic potential of oligosaccharides prepared by chemical hydrolysis of water-soluble polysaccharides (WSP) from Zizyphus lotus leaves, the effect of oligosaccharides on bacterial growth was studied. The chemical composition of WSP was evaluated by colorimetric assays revealed the average values: 7.05±0.73% proteins and 86.21±0.74% carbohydrates, among them 64.81±0.42% are neutral sugar and the rest 16.25±1.62% are uronic acids. The characterization of monosaccharides was determined by high performance anion exchange chromatography with pulsed amperometric detection (HPAEC-PAD) was found to be composed of galactose (23.95%), glucose (21.30%), rhamnose (20.28%), arabinose (9.55%), and glucuronic acid (22.95%). The effects of oligosaccharides on the growth of lactic acid bacteria were compared with those of fructo-oligosaccharide (RP95). The oligosaccharides concentration was 1g/L of man rogosa sharpe broth. Bacterial growth was assessed during 2, 4.5, 6.5, 9, 12, 16 and 24 h by measuring the optical density of the cultures at 600 nm (OD600) and pH values. During fermentation, pH in broth cultures decreased from 6.7 to 5.87±0.15. The enumeration of lactic acid bacteria indicated that oligosaccharides led to a significant increase in bacteria (P≤0.05) compared to the control. The fermentative metabolism appeared to be faster on RP95 than on oligosaccharides from Zizyphus lotus leaves. Both RP95 and oligosaccharides showed clear prebiotic effects, but had differences in fermentation kinetics because of to the different degree of polymerization. This study shows the prebiotic effectiveness of oligosaccharides, and provides proof for the selection of leaves of Zizyphus lotus for use as functional food ingredients.Keywords: Zizyphus lotus, polysaccharides, characterization, prebiotic effects
Procedia PDF Downloads 400449 Influence of Counterface and Environmental Conditions on the Lubricity of Multilayer Graphene Coatings Produced on Nickel by Chemical Vapour Deposition
Authors: Iram Zahra
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Friction and wear properties of multilayer graphene coatings (MLG) on nickel substrate were investigated at the macroscale, and different failure mechanisms working at the interface of nickel-graphene coatings were evaluated. Multilayer graphene coatings were produced on a nickel substrate using the atmospheric chemical vapour deposition (CVD) technique. Wear tests were performed on the pin-on-disk tribometer apparatus under dry air conditions, and using the saltwater solution, distilled water, and mineral oil lubricants and counterparts used in these wear tests were fabricated of stainless steel, chromium, and silicon nitride. The wear test parameters such as rotational speed, wear track diameter, temperature, relative humidity, and load were 60 rpm, 6 mm, 22˚C, 45%, and 2N, respectively. To analyse the friction and wear behaviour, coefficient of friction (COF) vs time curves were plotted, and the sliding surfaces of the samples and counterparts were examined using the optical microscope. Results indicated that graphene-coated nickel in mineral oil lubrication and dry conditions gave the minimum average value of COP (0.05) and wear track width ( ̴151 µm) against the three different types of counterparts. In contrast, uncoated nickel samples indicated a maximum wear track width ( ̴411 µm) and COF (0.5). Thorough investigation and analysis concluded that graphene-coated samples have two times lower COF and three times lower wear than the bare nickel samples. Furthermore, mechanical failures were significantly lower in the case of graphene-coated nickel. The overall findings suggested that multilayer graphene coatings have drastically decreased wear and friction on nickel substrate at the macroscale under various lubricating conditions and against different counterparts.Keywords: friction, lubricity, multilayer graphene, sliding, wear
Procedia PDF Downloads 131448 A Homogenized Mechanical Model of Carbon Nanotubes/Polymer Composite with Interface Debonding
Authors: Wenya Shu, Ilinca Stanciulescu
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Carbon nanotubes (CNTs) possess attractive properties, such as high stiffness and strength, and high thermal and electrical conductivities, making them promising filler in multifunctional nanocomposites. Although CNTs can be efficient reinforcements, the expected level of mechanical performance of CNT-polymers is not often reached in practice due to the poor mechanical behavior of the CNT-polymer interfaces. It is believed that the interactions of CNT and polymer mainly result from the Van der Waals force. The interface debonding is a fracture and delamination phenomenon. Thus, the cohesive zone modeling (CZM) is deemed to give good capture of the interface behavior. The detailed, cohesive zone modeling provides an option to consider the CNT-matrix interactions, but brings difficulties in mesh generation and also leads to high computational costs. Homogenized models that smear the fibers in the ground matrix and treat the material as homogeneous are studied in many researches to simplify simulations. But based on the perfect interface assumption, the traditional homogenized model obtained by mixing rules severely overestimates the stiffness of the composite, even comparing with the result of the CZM with artificially very strong interface. A mechanical model that can take into account the interface debonding and achieve comparable accuracy to the CZM is thus essential. The present study first investigates the CNT-matrix interactions by employing cohesive zone modeling. Three different coupled CZM laws, i.e., bilinear, exponential and polynomial, are considered. These studies indicate that the shapes of the CZM constitutive laws chosen do not influence significantly the simulations of interface debonding. Assuming a bilinear traction-separation relationship, the debonding process of single CNT in the matrix is divided into three phases and described by differential equations. The analytical solutions corresponding to these phases are derived. A homogenized model is then developed by introducing a parameter characterizing interface sliding into the mixing theory. The proposed mechanical model is implemented in FEAP8.5 as a user material. The accuracy and limitations of the model are discussed through several numerical examples. The CZM simulations in this study reveal important factors in the modeling of CNT-matrix interactions. The analytical solutions and proposed homogenized model provide alternative methods to efficiently investigate the mechanical behaviors of CNT/polymer composites.Keywords: carbon nanotube, cohesive zone modeling, homogenized model, interface debonding
Procedia PDF Downloads 123447 Organic Co-Polymer Monolithic Columns for Liquid Chromatography Mixed Mode Protein Separations
Authors: Ahmed Alkarimi, Kevin Welham
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Organic mixed mode monolithic columns were fabricated from; glycidyl methacrylate-co-ethylene dimethacrylate-co-stearyl methacrylate, using glycidyl methacrylate and stearyl methacrylate as co monomers representing 30% and 70% respectively of the liquid volume with ethylene dimethacrylate crosslinker and 2,2-dimethoxy-2-phenylacetophenone as the free radical initiator. The monomers were mixed with a binary porogenic solvent, comprising propan-1-ol, and methanol (0.825 mL each). The monolith was formed by photo polymerization (365 nm) inside a borosilicate glass tube (1.5 mm ID and 3 mm OD x 50 mm length). The monolith was observed to have formed correctly by optical examination and generated reasonable backpressure, approximately 650 psi at a flow rate of 0.2 mL min⁻¹ 50:50 acetonitrile: water. The morphological properties of the monolithic columns were investigated using scanning electron microscopy images, and Brunauer-Emmett-Teller analysis, the results showed that the monolith was formed properly with 19.98 ± 0.01 mm² surface area, 0.0205 ± 0.01 cm³ g⁻¹ pore volume and 6.93 ± 0.01 nm average pore size. The polymer monolith formed was further investigated using proton nuclear magnetic resonance, and Fourier transform infrared spectroscopy. The monolithic columns were investigated using high-performance liquid chromatography to test their ability to separate different samples with a range of properties. The columns displayed both hydrophobic/hydrophilic and hydrophobic/ion exchange interactions with the compounds tested indicating that true mixed mode separations. The mixed mode monolithic columns exhibited significant separation of proteins.Keywords: LC separation, proteins separation, monolithic column, mixed mode
Procedia PDF Downloads 155446 Physical Tests on Localized Fluidization in Offshore Suction Bucket Foundations
Authors: Li-Hua Luu, Alexis Doghmane, Abbas Farhat, Mohammad Sanayei, Pierre Philippe, Pablo Cuellar
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Suction buckets are promising innovative foundations for offshore wind turbines. They generally feature the shape of an inverted bucket and rely on a suction system as a driving agent for their installation into the seabed. Water is pumped out of the buckets that are initially placed to rest on the seabed, creating a net pressure difference across the lid that generates a seepage flow, lowers the soil resistance below the foundation skirt, and drives them effectively into the seabed. The stability of the suction mechanism as well as the possibility of a piping failure (i.e., localized fluidization within the internal soil plug) during their installation are some of the key questions that remain open. The present work deals with an experimental study of localized fluidization by suction within a fixed bucket partially embedded into a submerged artificial soil made of spherical beads. The transient process, from the onset of granular motion until reaching a stationary regime for the fluidization at the embedded bucket wall, is recorded using the combined optical techniques of planar laser-induced fluorescence and refractive index matching. To conduct a systematic study of the piping threshold for the seepage flow, we vary the beads size, the suction pressure, and the initial depth for the bucket. This experimental modelling, by dealing with erosion-related phenomena from a micromechanical perspective, shall provide qualitative scenarios for the local processes at work which are missing in the offshore practice so far.Keywords: fluidization, micromechanical approach, offshore foundations, suction bucket
Procedia PDF Downloads 173445 Temperature Dependence and Seasonal Variation of Denitrifying Microbial Consortia from a Woodchip Bioreactor in Denmark
Authors: A. Jéglot, F. Plauborg, M. K. Schnorr, R. S. Sørensen, L. Elsgaard
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Artificial wetlands such as woodchip bioreactors are efficient tools to remove nitrate from agricultural wastewater with a minimized environmental impact. However, the temperature dependence of the microbiological nitrate removal prevents the woodchip bioreactors from being an efficient system when the water temperature drops below 8℃. To quantify and describe the temperature effects on nitrate removal efficiency, we studied nitrate-reducing enrichments from a woodchip bioreactor in Denmark based on samples collected in Spring and Fall. Growth was quantified as optical density, and nitrate and nitrous oxide concentrations were measured in time-course experiments to compare the growth of the microbial population and the nitrate conversion efficiencies at different temperatures. Ammonia was measured to indicate the importance of dissimilatory nitrate reduction to ammonia (DNRA) in nitrate conversion for the given denitrifying community. The temperature responses observed followed the increasing trend proposed by the Arrhenius equation, indicating higher nitrate removal efficiencies at higher temperatures. However, the growth and the nitrous oxide production observed at low temperature provided evidence of the psychrotolerance of the microbial community under study. The assays conducted showed higher nitrate removal from the microbial community extracted from the woodchip bioreactor at the cold season compared to the ones extracted during the warmer season. This indicated the ability of the bacterial populations in the bioreactor to evolve and adapt to different seasonal temperatures.Keywords: agricultural waste water treatment, artificial wetland, denitrification, psychrophilic conditions
Procedia PDF Downloads 115444 The Effect of Mechanical Stress on the Magnetic Structure and Properties of Ferromagnetic Microwires in Glass Insulation
Authors: N. N. Orlova, A. S. Aronin, Yu. P. Kabanov, S. I. Bozhko, V. S. Gornakov
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We have investigated the change of the magnetic structure and the hysteresis properties of iron-based microwires after decreasing levels of internal mechanical stresses. The magnetic structure was investigated by the method of magneto-optical indicator film and the method of magnetic force microscopy. The hysteresis properties were studied by the vibrating sample magnetometer. The stresses were decreased by removing the glass coat and/or by low-temperature isothermal annealing. Previously, the authors carried out experimentally investigation of the magnetic structure of Fe-based microwire using these methods. According to the obtained results the domain structure of a microwire with a positive magnetostriction is composed of the inner cylindrical domains with the magnetization along the wire axis and the surface layer of the ring shape domains with the radial direction of magnetization. Surface ring domains with opposite magnetization direction (i.e., to the axis or from the axis) alternate with each other. For the first time the size of magnetic domains was determined experimentally. In this study it was found that in the iron-based microwires the value of the coercive force can be reduce more than twice by decreasing levels of internal mechanical stresses. Decrease of the internal stress value by the relaxation annealing influence on the magnetic structure. So in the as-prepared microwires observed local deviations of the magnetization of the magnetic core domains from the axis of the wire. After low-temperature annealing the local deviations of magnetization is not observed.Keywords: amorphous microwire, magnetic structure, internal stress, hysteresis properties, ferromagnetic
Procedia PDF Downloads 559443 The Role of Phase Morphology on the Corrosion Fatigue Mechanism in Marine Steel
Authors: Victor Igwemezie, Ali Mehmanparast
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The correct knowledge of corrosion fatigue mechanism in marine steel is very important. This is because it enables the design, selection, and use of steels for offshore applications. It also supports realistic corrosion fatigue life prediction of marine structures. A study has been conducted to increase the understanding of corrosion fatigue mechanism in marine steels. The materials investigated are normalized and advanced S355 Thermomechanical control process (TMCP) steels commonly used in the design of offshore wind turbine support structures. The experimental study was carried out by conducting corrosion fatigue tests under conditions pertinent to offshore wind turbine operations, using the state of the art facilities. A careful microstructural study of the crack growth path was conducted using metallurgical optical microscope (OM), scanning electron microscope (SEM) and Energy Dispersive X-Ray Spectroscopy (EDX). The test was conducted on three subgrades of S355 steel: S355J2+N, S355G8+M and S355G10+M and the data compared with similar studies in the literature. The result shows that the ferrite-pearlite morphology primarily controls the corrosion-fatigue crack growth path in marine steels. A corrosion fatigue mechanism which relies on the hydrogen embrittlement of the grain boundaries and pearlite phase is used to explain the crack propagation behaviour. The crack growth trend in the Paris region of the da/dN vs. ΔK curve is used to explain the dependency of the corrosion-fatigue crack growth rate on the ferrite-pearlite morphology.Keywords: corrosion-fatigue mechanism, fatigue crack growth rate, ferritic-pearlitic steel, microstructure, phase morphology
Procedia PDF Downloads 149442 Dosimetric Analysis of Intensity Modulated Radiotherapy versus 3D Conformal Radiotherapy in Adult Primary Brain Tumors: Regional Cancer Centre, India
Authors: Ravi Kiran Pothamsetty, Radha Rani Ghosh, Baby Paul Thaliath
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Radiation therapy has undergone many advancements and evloved from 2D to 3D. Recently, with rapid pace of drug discoveries, cutting edge technology, and clinical trials has made innovative advancements in computer technology and treatment planning and upgraded to intensity modulated radiotherapy (IMRT) which delivers in homogenous dose to tumor and normal tissues. The present study was a hospital-based experience comparing two different conformal radiotherapy techniques for brain tumors. This analytical study design has been conducted at Regional Cancer Centre, India from January 2014 to January 2015. Ten patients have been selected after inclusion and exclusion criteria. All the patients were treated on Artiste Siemens Linac Accelerator. The tolerance level for maximum dose was 6.0 Gyfor lenses and 54.0 Gy for brain stem, optic chiasm and optical nerves as per RTOG criteria. Mean and standard deviation values of PTV98%, PTV 95% and PTV 2% in IMRT were 93.16±2.9, 95.01±3.4 and 103.1±1.1 respectively; for 3DCRT were 91.4±4.7, 94.17±2.6 and 102.7±0.39 respectively. PTV max dose (%) in IMRT and 3D-CRT were 104.7±0.96 and 103.9±1.0 respectively. Maximum dose to the tumor can be delivered with IMRT with acceptable toxicity limits. Variables such as expertise, location of tumor, patient condition, and TPS influence the outcome of the treatment.Keywords: brain tumors, intensity modulated radiotherapy (IMRT), three dimensional conformal radiotherapy (3D-CRT), radiation therapy oncology group (RTOG)
Procedia PDF Downloads 233441 Self-Healing Phenomenon Evaluation in Cementitious Matrix with Different Water/Cement Ratios and Crack Opening Age
Authors: V. G. Cappellesso, D. M. G. da Silva, J. A. Arndt, N. dos Santos Petry, A. B. Masuero, D. C. C. Dal Molin
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Concrete elements are subject to cracking, which can be an access point for deleterious agents that can trigger pathological manifestations reducing the service life of these structures. Finding ways to minimize or eliminate the effects of this aggressive agents’ penetration, such as the sealing of these cracks, is a manner of contributing to the durability of these structures. The cementitious self-healing phenomenon can be classified in two different processes. The autogenous self-healing that can be defined as a natural process in which the sealing of this cracks occurs without the stimulation of external agents, meaning, without different materials being added to the mixture, while on the other hand, the autonomous seal-healing phenomenon depends on the insertion of a specific engineered material added to the cement matrix in order to promote its recovery. This work aims to evaluate the autogenous self-healing of concretes produced with different water/cement ratios and exposed to wet/dry cycles, considering two ages of crack openings, 3 days and 28 days. The self-healing phenomenon was evaluated using two techniques: crack healing measurement using ultrasonic waves and image analysis performed with an optical microscope. It is possible to observe that by both methods, it possible to observe the self-healing phenomenon of the cracks. For young ages of crack openings and lower water/cement ratios, the self-healing capacity is higher when compared to advanced ages of crack openings and higher water/cement ratios. Regardless of the crack opening age, these concretes were found to stabilize the self-healing processes after 80 days or 90 days.Keywords: sealf-healing, autogenous, water/cement ratio, curing cycles, test methods
Procedia PDF Downloads 149440 Analytical Study and Conservation Processes of a Wooden Coffin of Middel Kingdom, Ancient Egypt
Authors: Mohamed Ahmed Abd El Kader
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This paper describes the conservation processes of an Ancient Egyptian wooden coffin dating back to the Middle Kingdom, ancient Egypt, using several scientific and analytical methods in order to provide a deeper understanding of the deterioration status and a greater awareness of how well preserved the object is. Visual observation and 2D Programs, as well as Optical Microscopy (OM), Environmental scanning Electron Microscopy (ESEM), X-ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FTIR) were used in our study. The identification of wood species and the composition of the pigments and previous restoration materials were made. The coffin was previously conserved and stored in improper conditions, which led to its further deterioration; the surface of the lid dust, which obscured the decorations as well as all necessary restoration work was promptly carried out as soon as the coffin was transferred from the display hall from the Egyptian Museum to the Wood Conservation Laboratory of the Grand Egyptian Museum-Conservation Center (GEM-CC). The analyses provided detailed information concerning the original materials and the materials added during the previous treatment interventions, which was considered when applying the conservation plan. Conservation procedures have been applied with high accuracy to conserve the coffin including cleaning, consolidation of fragile painted layers, and the wooden boards forming the sides of the coffin were reassembled in their original positions. The materials and methods that were applied were extremely effective in stability and reinforcement of the coffin without harmfulness to the original materials and the coffin was successfully conserved and ready to display in the Grand Egyptian Museum (GEM).Keywords: coffin, middle kingdom, deterioration, 2d program
Procedia PDF Downloads 42439 Bimetallic Cu/Au Nanostructures and Bio-Application
Authors: Si Yin Tee
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Bimetallic nanostructures have received tremendous interests as a new class of nanomaterials which may have better technological usefulness with distinct properties from those of individual atoms and molecules or bulk matter. They excelled over the monometallic counterparts because of their improved electronic, optical and catalytic performances. The properties and the applicability of these bimetallic nanostructures not only depend on their size and shape, but also on the composition and their fine structure. These bimetallic nanostructures are potential candidates for bio-applications such as biosensing, bioimaging, biodiagnostics, drug delivery, targeted therapeutics, and tissue engineering. Herein, gold-incorporated copper (Cu/Au) nanostructures were synthesized through the controlled disproportionation of Cu⁺-oleylamine complex at 220 ºC to form copper nanowires and the subsequent reaction with Au³⁺ at different temperatures of 140, 220 and 300 ºC. This is to achieve their synergistic effect through the combined use of the merits of low-cost transition and high-stability noble metals. Of these Cu/Au nanostructures, Cu/Au nanotubes display the best performance towards electrochemical non-enzymatic glucose sensing, originating from the high conductivity of gold and the high aspect ratio copper nanotubes with high surface area so as to optimise the electroactive sites and facilitate mass transport. In addition to high sensitivity and fast response, the Cu/Au nanotubes possess high selectivity against interferences from other potential interfering species and excellent reproducibility with long-term stability. By introducing gold into copper nanostructures at a low level of 3, 1 and 0.1 mol% relative to initial copper precursor, a significant electrocatalytic enhancement of the resulting bimetallic Cu/Au nanostructures starts to occur at 1 mol%. Overall, the present fabrication of stable Cu/Au nanostructures offers a promising low-cost platform for sensitive, selective, reproducible and reusable electrochemical sensing of glucose.Keywords: bimetallic, electrochemical sensing, glucose oxidation, gold-incorporated copper nanostructures
Procedia PDF Downloads 512438 Analysis of Vibration of Thin-Walled Parts During Milling Made of EN AW-7075 Alloy
Authors: Jakub Czyżycki, Paweł Twardowski
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Thin-walled components made of aluminum alloys are increasingly found in many fields of industry, and they dominate the aerospace industry. The machining of thinwalled structures encounters many difficulties related to the high susceptibility of the workpiece, which causes vibrations including the most unfavorable ones called chatter. The effect of these phenomena is the difficulty in obtaining the required geometric dimensions and surface quality. The purpose of this study is to analyze vibrations arising during machining of thin-walled workpieces made of aluminum alloy EN AW-7075. Samples representing actual thin-walled workpieces were examined in a different range of dimensions characterizing thin-walled workpieces. The tests were carried out in HSM high-speed machining (cutting speed vc = 1400 m/min) using a monolithic solid carbide endmill. Measurement of vibration was realized using a singlecomponent piezoelectric accelerometer 4508C from Brüel&Kjær which was mounted directly on the sample before machining, the measurement was made in the normal feed direction AfN. In addition, the natural frequency of the tested thin-walled components was investigated using a laser vibrometer for an broader analysis of the tested samples. The effect of vibrations on machining accuracy was presented in the form of surface images taken with an optical measuring device from Alicona. A classification of the vibrations produced during the test was carried out, and were analyzed in both the time and frequency domains. Observed significant influence of the thickness of the thin-walled component on the course of vibrations during machining.Keywords: high-speed machining, thin-walled elements, thin-walled components, milling, vibrations
Procedia PDF Downloads 37437 First Formaldehyde Retrieval Using the Raw Data Obtained from Pandora in Seoul: Investigation of the Temporal Characteristics and Comparison with Ozone Monitoring Instrument Measurement
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In this present study, for the first time, we retrieved the Formaldehyde (HCHO) Vertical Column Density (HCHOVCD) using Pandora instruments in Seoul, a megacity in northeast Asia, for the period between 2012 and 2014 and investigated the temporal characteristics of HCHOVCD. HCHO Slant Column Density (HCHOSCD) was obtained using the Differential Optical Absorption Spectroscopy (DOAS) method. HCHOSCD was converted to HCHOVCD using geometric Air Mass Factor (AMFG) as Pandora is the direct-sun measurement. The HCHOVCDs is low at 12:00 Local Time (LT) and is high in the morning (10:00 LT) and late afternoon (16:00 LT) except for winter. The maximum (minimum) values of Pandora HCHOVCD are 2.68×1016 (1.63×10¹⁶), 3.19×10¹⁶ (2.23×10¹⁶), 2.00×10¹⁶ (1.26×10¹⁶), and 1.63×10¹⁶ (0.82×10¹⁶) molecules cm⁻² in spring, summer, autumn, and winter, respectively. In terms of seasonal variations, HCHOVCD was high in summer and low in winter which implies that photo-oxidation plays an important role in HCHO production in Seoul. In comparison with the Ozone Monitoring Instrument (OMI) measurements, the HCHOVCDs from the OMI are lower than those from Pandora. The correlation coefficient (R) between monthly HCHOVCDs values from Pandora and OMI is 0.61, with slop of 0.35. Furthermore, to understand HCHO mixing ratio within Planetary Boundary Layer (PBL) in Seoul, we converted Pandora HCHOVCDs to HCHO mixing ratio in the PBL using several meteorological input data from the Atmospheric InfraRed Sounder (AIRS). Seasonal HCHO mixing ratio in PBL converted from Pandora (OMI) HCHOVCDs are estimated to be 6.57 (5.17), 7.08 (6.68), 7.60 (4.70), and 5.00 (4.76) ppbv in spring, summer, autumn, and winter, respectively.Keywords: formaldehyde, OMI, Pandora, remote sensing
Procedia PDF Downloads 145436 Research on the Aeration Systems’ Efficiency of a Lab-Scale Wastewater Treatment Plant
Authors: Oliver Marunțălu, Elena Elisabeta Manea, Lăcrămioara Diana Robescu, Mihai Necșoiu, Gheorghe Lăzăroiu, Dana Andreya Bondrea
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In order to obtain efficient pollutants removal in small-scale wastewater treatment plants, uniform water flow has to be achieved. The experimental setup, designed for treating high-load wastewater (leachate), consists of two aerobic biological reactors and a lamellar settler. Both biological tanks were aerated by using three different types of aeration systems - perforated pipes, membrane air diffusers and tube ceramic diffusers. The possibility of homogenizing the water mass with each of the air diffusion systems was evaluated comparatively. The oxygen concentration was determined by optical sensors with data logging. The experimental data was analyzed comparatively for all three different air dispersion systems aiming to identify the oxygen concentration variation during different operational conditions. The Oxygenation Capacity was calculated for each of the three systems and used as performance and selection parameter. The global mass transfer coefficients were also evaluated as important tools in designing the aeration system. Even though using the tubular porous diffusers leads to higher oxygen concentration compared to the perforated pipe system (which provides medium-sized bubbles in the aqueous solution), it doesn’t achieve the threshold limit of 80% oxygen saturation in less than 30 minutes. The study has shown that the optimal solution for the studied configuration was the radial air diffusers which ensure an oxygen saturation of 80% in 20 minutes. An increment of the values was identified when the air flow was increased.Keywords: flow, aeration, bioreactor, oxygen concentration
Procedia PDF Downloads 380435 The Effect of Different Metal Nanoparticles on Growth and Survival of Pseudomonas syringae Bacteria
Authors: Omar Alhamd, Peter A. Thomas, Trevor J. Greenhough, Annette K. Shrive
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The Pseudomonas syringae species complex includes many plant pathogenic strains with highly specific interactions with varied host species and cultivars. The rapid spread of these bacteria over the last ten years has become a cause for concern. Nanoparticles have previously shown promise in microbiological action. We have therefore investigated in vitro and in vivo the effects of different types and sizes of nanoparticles in order to provide quantitative information about their effect on the bacteria. The effects of several different nanoparticles against several bacteria strains were investigated. The effect of NP on bacterial growth was studied by measuring the optical density, biochemical and nutritional tests, and transmission electron microscopy (TEM) to determine the shape and size of NP. Our results indicate that their effects varied, with either a negative or a positive impact on both bacterial and plant growth. Additionally, the methods of exposure to nanoparticles have a crucial role in accumulation, translocation, growth response and bacterial growth. The results of our studies on the behaviour and effects of nanoparticles in model plants showed. Cerium oxide (CeO₂) and silver (Ag) NP showed significant antibacterial activity against several pathogenic bacteria. It was found that titanium nanoparticles (TiO₂) can have either a negative or a positive impact, according to concentration and size. It is also thought that environmental conditions can have a major influence on bacterial growth. Studies were therefore also carried out under some environmental stress conditions to test bacterial survival and to assess bacterial virulence. All results will be presented including information about the effects of different nanoparticles on Pseudomonas syringae bacteria.Keywords: plant microbiome, nanoparticles, 16S rRNA gene sequencing, bacterial survival
Procedia PDF Downloads 197434 Clouds Influence on Atmospheric Ozone from GOME-2 Satellite Measurements
Authors: S. M. Samkeyat Shohan
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This study is mainly focused on the determination and analysis of the photolysis rate of atmospheric, specifically tropospheric, ozone as function of cloud properties through-out the year 2007. The observational basis for ozone concentrations and cloud properties are the measurement data set of the Global Ozone Monitoring Experiment-2 (GOME-2) sensor on board the polar orbiting Metop-A satellite. Two different spectral ranges are used; ozone total column are calculated from the wavelength window 325 – 335 nm, while cloud properties, such as cloud top height (CTH) and cloud optical thick-ness (COT) are derived from the absorption band of molecular oxygen centered at 761 nm. Cloud fraction (CF) is derived from measurements in the ultraviolet, visible and near-infrared range of GOME-2. First, ozone concentrations above clouds are derived from ozone total columns, subtracting the contribution of stratospheric ozone and filtering those satellite measurements which have thin and low clouds. Then, the values of ozone photolysis derived from observations are compared with theoretical modeled results, in the latitudinal belt 5˚N-5˚S and 20˚N - 20˚S, as function of CF and COT. In general, good agreement is found between the data and the model, proving both the quality of the space-borne ozone and cloud properties as well as the modeling theory of ozone photolysis rate. The found discrepancies can, however, amount to approximately 15%. Latitudinal seasonal changes of photolysis rate of ozone are found to be negatively correlated to changes in upper-tropospheric ozone concentrations only in the autumn and summer months within the northern and southern tropical belts, respectively. This fact points to the entangled roles of temperature and nitrogen oxides in the ozone production, which are superimposed on its sole photolysis induced by thick and high clouds in the tropics.Keywords: cloud properties, photolysis rate, stratospheric ozone, tropospheric ozone
Procedia PDF Downloads 205433 Accurate Binding Energy of Ytterbium Dimer from Ab Initio Calculations and Ultracold Photoassociation Spectroscopy
Authors: Giorgio Visentin, Alexei A. Buchachenko
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Recent proposals to use Yb dimer as an optical clock and as a sensor for non-Newtonian gravity imply the knowledge of its interaction potential. Here, the ground-state Born-Oppenheimer Yb₂ potential energy curve is represented by a semi-analytical function, consisting of short- and long-range contributions. For the former, the systematic ab initio all-electron exact 2-component scalar-relativistic CCSD(T) calculations are carried out. Special care is taken to saturate diffuse basis set component with the atom- and bond-centered primitives and reach the complete basis set limit through n = D, T, Q sequence of the correlation-consistent polarized n-zeta basis sets. Similar approaches are used to the long-range dipole and quadrupole dispersion terms by implementing the CCSD(3) polarization propagator method for dynamic polarizabilities. Dispersion coefficients are then computed through Casimir-Polder integration. The semiclassical constraint on the number of the bound vibrational levels known for the ¹⁷⁴Yb isotope is used to scale the potential function. The scaling, based on the most accurate ab initio results, bounds the interaction energy of two Yb atoms within the narrow 734 ± 4 cm⁻¹ range, in reasonable agreement with the previous ab initio-based estimations. The resulting potentials can be used as the reference for more sophisticated models that go beyond the Born-Oppenheimer approximation and provide the means of their uncertainty estimations. The work is supported by Russian Science Foundation grant # 17-13-01466.Keywords: ab initio coupled cluster methods, interaction potential, semi-analytical function, ytterbium dimer
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