Search results for: optical properties
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9734

Search results for: optical properties

5384 Mixed Sub-Fractional Brownian Motion

Authors: Mounir Zili

Abstract:

We will introduce a new extension of the Brownian motion, that could serve to get a good model of many natural phenomena. It is a linear combination of a finite number of sub-fractional Brownian motions; that is why we will call it the mixed sub-fractional Brownian motion. We will present some basic properties of this process. Among others, we will check that our process is non-Markovian and that it has non-stationary increments. We will also give the conditions under which it is a semimartingale. Finally, the main features of its sample paths will be specified.

Keywords: mixed Gaussian processes, Sub-fractional Brownian motion, sample paths

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5383 Traditional Ceramics Value in the Middle East

Authors: Abdelmessih Malak Sadek Labib

Abstract:

The Stability in harsh environments thanks to excellent electrical, mechanical and thermal properties is what ceramics are all about selected materials for many applications despite advent of new materials such as plastics and composites. However, ceramic materials have disadvantages, including brittleness. Fragility is often attributed to pottery strong covalent and ionic bonds in the ceramic body. There is still much to learn about brittle cracks in a attention to detail, hence the fragility of the ceramic and its catastrophic failure of a frequently studied topic, particularly in charging applications. One of the most commonly used ceramics for load-bearing applications such as veneers is porcelain. Porcelain is a type of traditional pottery. Traditional pottery consists mainly of three basic ingredients: clay, which gives plasticity; silica which maintains the shape and stability of the ceramic body over temperature high temperature; and feldspar affecting glazing. In traditional pottery, the inversion of quartz during cooling the process can create microcracks that act as a stress concentration centers. Consequently, subcritical crack growth is caused due to quartz inversion origins unpredictable catastrophic failure of the work of ceramic bodies when reloading. In the case of porcelain, however, this is what the mullite hypothesis says the strength of porcelain can be significantly increased with felt Interlocking of mullite needles in the ceramic body.in this way realistic assessment of the role of quartz and mullite Porcelain with a strength of is needed to grow stronger and smaller fragile porcelain. Currently,the lack of reports on Young's moduli in the literature leads to erroneous conclusions in this regard mechanical behavior of porcelain. Therefore, the current project uses the Young's modulus approach for the investigation the role of quartz and mullite on the mechanical strength of various porcelains, in addition to reducing particle size, flexural strength fractographic forces and techniques.

Keywords: materials, technical, ceramics, properties, thermal, stability, advantages

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5382 The Formation of Thin Copper Films on Graphite Surface Using Magnetron Sputtering Method

Authors: Zydrunas Kavaliauskas, Aleksandras Iljinas, Liutauras Marcinauskas, Mindaugas Milieska, Vitas Valincius

Abstract:

The magnetron sputtering deposition method is often used to obtain thin film coatings. The main advantage of magnetron vaporization compared to other deposition methods is the high rate erosion of the cathode material (e.g., copper, aluminum, etc.) and the ability to operate under low-pressure conditions. The structure of the formed coatings depends on the working parameters of the magnetron deposition system, which is why it is possible to influence the properties of the growing film, such as morphology, crystal orientation, and dimensions, stresses, adhesion, etc. The properties of these coatings depend on the distance between the substrate and the magnetron surface, the vacuum depth, the gas used, etc. Using this deposition technology, substrates are most often placed near the anode. The magnetic trap of the magnetrons for localization of electrons in the cathode region is formed using a permanent magnet system that is on the side of the cathode. The scientific literature suggests that, after insertion of a small amount of copper into graphite, the electronic conductivity of graphite increase. The aim of this work is to create thin (up to 300 nm) layers on a graphite surface using a magnetron evaporation method, to investigate the formation peculiarities and microstructure of thin films, as well as the mechanism of copper diffusion into graphite inner layers at different thermal treatment temperatures. The electron scanning microscope was used to investigate the microrelief of the coating surface. The chemical composition is determined using the EDS method, which shows that, with an increase of the thermal treatment of the copper-carbon layer from 200 °C to 400 °C, the copper content is reduced from 8 to 4 % in atomic mass units. This is because the EDS method captures only the amount of copper on the graphite surface, while the temperature of the heat treatment increases part of the copper because of the diffusion processes penetrates into the inner layers of the graphite. The XRD method shows that the crystalline copper structure is not affected by thermal treatment.

Keywords: carbon, coatings, copper, magnetron sputtering

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5381 Study of Nanoclay Blends Based on PET/PEN Prepared by Reactive Extrusion

Authors: F. Zouai, F. Z. Benabid, S. Bouhelal, D. Benachour

Abstract:

A new route of preparation of compatible blends, based on poly(ethylene terephthalate)(PET)/poly(ethylenenaphthalene2,6-dicarboxylate) (PEN)/clay nanocomposites has been successfully performed in one step by reactive melt extrusion. To achieve this, untreated clay was first purified and functionalized “in situ” with a compound based on an organic peroxide/sulfur mixture and (tetra methyl thiuram disulfide) TMTD as accelerator or activator for sulfur. The PET and PEN materials were first mixed separately in the melt state with different amounts of functionalized clay. It was observed that the compositions PET/4 wt% clay and PEN/7.5 wt% clay showed total exfoliation. These completely exfoliated compositions, called nPET and nPEN, respectively, were used to prepare new nPET/nPEN nanoblends in the same mixing batch. The nPET/nPEN nanoblends were compared to neat blends of PET/PEN. The blends and the nanocomposites were characterized by different techniques: differential scanning calorimetry (DSC) and wide-angle X-ray scattering (WAXS). The micro and nanostructure/properties relationships were investigated. The results of the WAXS measurements study showed that the exfoliation of tetrahedral nanolayers of clay was complete and the octahedral structure disappeared totally. From the different WAXS patterns, it is seen that all samples are amorphous phase. The thermal study showed that there are only one glass transition temperature Tg, one crystallization temperature Tc and one melting temperature Tm for every composition. This indicated that both PET/PEN blends and nPET/nPEN blends were compatible in the entire range of compositions. In addition, nPET/nPEN blends present lower Tc values and higher Tm values than the corresponding neat PET/PEN blends. The obtained results indicate that nPET/nPEN blends are somewhat different from the pure ones in nanostructure and behavior, thus showing the additional effect of nanolayers. The present study allowed establishing good correlations between the different measured properties.

Keywords: PET, PEN, montmorillonite, nanocomposites, exfoliation, reactive melt-mixing

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5380 Mechanical Properties of Lithium-Ion Battery at Different Packing Angles Under Impact Loading

Authors: Wei Zhao, Yuxuan Yao, Hao Chen

Abstract:

In order to find out the mechanical properties and failure behavior of lithium-ion batteries, drop hammer impact experiments and finite element simulations are carried out on batteries with different packed angles. Firstly, a drop hammer impact experiment system, which is based on the DHR-1808 drop hammer and oscilloscope, is established, and then a drop test of individual batteries and packed angles of 180 ° and 120 ° are carried out. The image of battery deformation, force-time curve and voltage-time curve are recorded. Secondly, finite element models of individual batteries and two packed angles are established, and the results of the test and simulation are compared. Finally, the mechanical characteristics and failure behavior of lithium-ion battery modules with the packed arrangement of 6 * 6 and packing angles of 180 °, 120 °, 90 ° and 60 ° are analyzed under the same velocity with different battery packing angles, and the same impact energy with different impact velocity and different packing angles. The result shows that the individual battery is destroyed completely in the drop hammer impact test with an initial impact velocity of 3m/s and drop height of 459mm, and the voltage drops to close to 0V when the test ends. The voltage drops to 12V when packed angle of 180°, and 3.6V when packed angle of 120°. It is found that the trend of the force-time curve between simulation and experiment is generally consistent. The difference in maximum peak value is 3.9kN for a packing angle of 180° and 1.3kN for a packing angle of 120°. Under the same impact velocity and impact energy, the strain rate of the battery module with a packing angle of 180° is the lowest, and the maximum stress can reach 26.7MPa with no battery short-circuited. The research under our experiment and simulation shows that the lithium-ion battery module with a packing angle of 180 ° is the least likely to be damaged, which can sustain the maximum stress under the same impact load.

Keywords: battery module, finite element simulation, power battery, packing angle

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5379 Seismic Response of Viscoelastic Dampers for Steel Structures

Authors: Ali Khoshraftar, S. A. Hashemi

Abstract:

This paper is focused on the advantages of Viscoelastic Dampers (VED) to be used as energy-absorbing devices in buildings. The properties of VED are briefly described. The analytical studies of the model structures exhibiting the structural response reduction due to these viscoelastic devices are presented. Computer simulation of the damped response of a multi-storey steel frame structure shows significant reduction in floor displacement levels.

Keywords: dampers, seismic evaluation, steel frames, viscoelastic

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5378 Synthesis and Gas Transport Properties of Polynorbornene Dicarboximides Bearing Trifluoromethyl Isomer Moieties

Authors: Jorge A. Cruz-Morales, Joel Vargas, Arlette A. Santiago, Mikhail A. Tlenkopatchev

Abstract:

In industrial processes such as oil extraction and refining, products are handled or generated in the gas phase, which represents a challenge in terms of treatment and purification. During the past three decades, new scientific findings and technological advances in separation based on the use of membranes have led to simpler and more efficient gas separation processes, optimizing the use of energy and generating less pollution. This work reports the synthesis and ring-opening metathesis polymerization (ROMP) of new structural isomers based on norbornene dicarboximides bearing trifluoromethyl moieties, specifically N-2-trifluoromethylphenyl-exo,endo-norbornene-5,6-dicarboximide (2a) and N-3-trifluoromethylphenyl-exo,endo-norbornene-5,6-dicarboximide (2b), using tricyclohexylphosphine [1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene][benzylidene] ruthenium dichloride (I), bis(tricyclohexylphosphine) benzylidene ruthenium (IV) dichloride (II), and bis(tricyclohexylphosphine) p-fluorophenylvinylidene ruthenium (II) dichloride (III). It was observed that the -CF3 moiety attached at the ortho position of the aromatic ring increases thermal and mechanical properties of the polymer, whereas meta substitution has the opposite effect. A comparative study of gas transportation in membranes, based on these fluorinated polynorbornenes, showed that -CF3 ortho substitution increases permeability of the polymer membrane as a consequence of the increase in both gas solubility and gas diffusion. In contrast, gas permeability coefficients of the meta-substituted polymer membrane are rather similar to those of that which is non-fluorinated; this can be attributed to a lower fractional free volume. The meta-substituted polymer membrane, besides showing the largest permselectivity coefficients of all the isomers studied here, was also found to have one of the largest permselectivity coefficients for separating H2/C3H6 into glassy polynorbornene dicarboximides.

Keywords: gas transport membranes, polynorbornene dicarboximide, ROMP, structural isomers

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5377 Synthesis and Properties of Chitosan-Graft-Polyacrylamide/Gelatin Superabsorbent Composites for Wastewater Purification

Authors: Hafida Ferfera-Harrar, Nacera Aiouaz, Nassima Dairi

Abstract:

Super absorbents polymers received much attention and are used in many fields because of their superior characters to traditional absorbents, e.g., sponge and cotton. So, it is very important but challenging to prepare highly and fast-swelling super absorbents. A reliable, efficient and low-cost technique for removing heavy metal ions from waste water is the adsorption using bio-adsorbents obtained from biological materials, such as polysaccharides-based hydrogels super absorbents. In this study, novel multi-functional super absorbent composites type semi-interpenetrating polymer networks (Semi-IPNs) were prepared via graft polymerization of acrylamide onto chitosan backbone in presence of gelatin, CTS-g-PAAm/Ge, using potassium persulfate and N,N’ -methylenebisacrylamide as initiator and cross linker, respectively. These hydrogels were also partially hydrolyzed to achieve superabsorbents with ampholytic properties and uppermost swelling capacity. The formation of the grafted network was evidenced by Fourier Transform Infrared Spectroscopy (ATR-FTIR) and thermo gravimetric Analysis (TGA). The porous structures were observed by Scanning Electron Microscope (SEM). From TGA analysis, it was concluded that the incorporation of the Ge in the CTS-g-PAAm network has marginally affected its thermal stability. The effect of gelatin content on the swelling capacities of these super absorbent composites was examined in various media (distilled water, saline and pH-solutions).The water absorbency was enhanced by adding Ge in the network, where the optimum value was reached at 2 wt. % of Ge. Their hydrolysis has not only greatly optimized their absorption capacity but also improved the swelling kinetic. These materials have also showed reswelling ability. We believe that these super-absorbing materials would be very effective for the adsorption of harmful metal ions from waste water.

Keywords: chitosan, gelatin, superabsorbent, water absorbency

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5376 Security of Database Using Chaotic Systems

Authors: Eman W. Boghdady, A. R. Shehata, M. A. Azem

Abstract:

Database (DB) security demands permitting authorized users and prohibiting non-authorized users and intruders actions on the DB and the objects inside it. Organizations that are running successfully demand the confidentiality of their DBs. They do not allow the unauthorized access to their data/information. They also demand the assurance that their data is protected against any malicious or accidental modification. DB protection and confidentiality are the security concerns. There are four types of controls to obtain the DB protection, those include: access control, information flow control, inference control, and cryptographic. The cryptographic control is considered as the backbone for DB security, it secures the DB by encryption during storage and communications. Current cryptographic techniques are classified into two types: traditional classical cryptography using standard algorithms (DES, AES, IDEA, etc.) and chaos cryptography using continuous (Chau, Rossler, Lorenz, etc.) or discreet (Logistics, Henon, etc.) algorithms. The important characteristics of chaos are its extreme sensitivity to initial conditions of the system. In this paper, DB-security systems based on chaotic algorithms are described. The Pseudo Random Numbers Generators (PRNGs) from the different chaotic algorithms are implemented using Matlab and their statistical properties are evaluated using NIST and other statistical test-suits. Then, these algorithms are used to secure conventional DB (plaintext), where the statistical properties of the ciphertext are also tested. To increase the complexity of the PRNGs and to let pass all the NIST statistical tests, we propose two hybrid PRNGs: one based on two chaotic Logistic maps and another based on two chaotic Henon maps, where each chaotic algorithm is running side-by-side and starting from random independent initial conditions and parameters (encryption keys). The resulted hybrid PRNGs passed the NIST statistical test suit.

Keywords: algorithms and data structure, DB security, encryption, chaotic algorithms, Matlab, NIST

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5375 Using High Performance Concrete in Finite Element Modeling of Grouted Connections for Offshore Wind Turbine Structures

Authors: A. Aboubakr, E. Fehling, S. A. Mourad, M. Omar

Abstract:

Wind energy is one of the most effective renewable sources especially offshore wind energy although offshore wind technology is more costly to produce. It is well known that offshore wind energy can potentially be very cheap once infrastructure and researches improve. Laterally, the trend is to construct offshore wind energy to generate the electricity form wind. This leads to intensive research in order to improve the infrastructures. Offshore wind energy is the construction of wind farms in bodies of water to generate electricity from wind. The most important part in offshore wind turbine structure is the foundation and its connection with the wind tower. This is the main difference between onshore and offshore structures. Grouted connection between the foundation and the wind tower is the most important part of the building process when constructing wind offshore turbines. Most attention should be paid to the actual grout connection as this transfers the loads safely from tower to foundations and the soil also. In this paper, finite element analyses have been carried out for studying the behaviour of offshore grouted connection for wind turbine structures. ATENA program have been used for non-linear analysis simulation of the real structural behavior thus demonstrating the crushing, cracking, contact between the two materials and steel yielding. A calibration of the material used in the simulation has been carried out assuring an accurate model of the used material by ATENA program. This calibration was performed by comparing the results from the ATENA program with experimental results to validate the material properties used in ATENA program. Three simple patch test models with different properties have been performed. The research is concluded with a result that the calibration showing a good agreement between the ATENA program material behaviors and the experimental results.

Keywords: grouted connection, 3D modeling, finite element analysis, offshore wind energy turbines, stresses

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5374 Ion Beam Writing and Implantation in Graphene Oxide, Reduced Graphene Oxide and Polyimide Through Polymer Mask for Sensorics Applications

Authors: Jan Luxa, Vlastimil Mazanek, Petr Malinsky, Alexander Romanenko, Mariapompea Cutroneo, Vladimir Havranek, Josef Novak, Eva Stepanovska, Anna Mackova, Zdenek Sofer

Abstract:

Using accelerated energetic ions is an interesting method for the introduction of structural changes in various carbon-based materials. This way, the properties can be altered in two ways: a) the ions lead to the formation of conductive pathways in graphene oxide structures due to the elimination of oxygen functionalities and b) doping with selected ions to form metal nanoclusters, thus increasing the conductivity. In this work, energetic beams were employed in two ways to prepare capacitor structures in graphene oxide (GO), reduced graphene oxide (rGO) and polyimide (PI) on a micro-scale. The first method revolved around using ion beam writing with a focused ion beam, and the method involved ion implantation via a polymeric mask. To prepare the polymeric mask, a direct spin-coating of PMMA on top of the foils was used. Subsequently, proton beam writing and development in isopropyl alcohol were employed. Finally, the mask was removed using acetone solvent. All three materials were exposed to ion beams with an energy of 2.5-5 MeV and an ion fluence of 3.75x10¹⁴ cm-² (1800 nC.mm-²). Thus, prepared microstructures were thoroughly characterized by various analytical methods, including Scanning electron microscopy (SEM) with Energy-Dispersive X-ray spectroscopy (EDS), X-ray Photoelectron spectroscopy (XPS), micro-Raman spectroscopy, Rutherford Back-scattering Spectroscopy (RBS) and Elastic Recoil Detection Analysis (ERDA) spectroscopy. Finally, these materials were employed and tested as sensors for humidity using electrical conductivity measurements. The results clearly demonstrate that the type of ions, their energy and fluence all have a significant influence on the sensory properties of thus prepared sensors.

Keywords: graphene, graphene oxide, polyimide, ion implantation, sensors

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5373 Effect of Distillery Spentwash Application on Soil Properties and Yield of Maize (Zea mays L.) and Finger Millet (Eleusine coracana (L.) G)

Authors: N. N. Lingaraju, A. Sathish, K. N. Geetha, C. A. Srinivasamurthy, S. Bhaskar

Abstract:

Studies on spent wash utilization as a nutrient source through 'Effect of distillery spentwash application on soil properties and yield of maize (Zea may L.) and finger millet (Eleusine coracana (L.) G)' was carried out in Malavalli Taluk, Mandya District, Karnataka State, India. The study was conducted in fourteen different locations of Malavalli (12) and Maddur taluk (2) involving maize and finger millet as a test crop. The spentwash was characterized for various parameters like pH, EC, total NPK, Na, Ca, Mg, SO₄, Fe, Zn, Cu, Mn and Cl content. It was observed from the results that the pH was slightly alkaline (7.45), EC was excess (23.3 dS m⁻¹), total NPK was 0.12, 0.02, and 1.31 percent respectively, Na, Ca, Mg and SO₄ concentration was 664, 1305, 745 and 618 (mg L⁻¹) respectively, total solid content was quite high (6.7%), Fe, Zn, Cu, Mn, values were 23.5, 5.70, 3.64, 4.0 mg L⁻¹, respectively. The crops were grown by adopting different crop management practices after application of spentwash at 100 m³ ha⁻¹ to the identified farmer fields. Soil samples were drawn at three stages i.e., before sowing of crop, during crop growth stage and after harvest of the crop at 2 depths (0-30 and 30-60 cm) and analyzed for pH, EC, available K and Na parameters by adopting standard procedures. The soil analysis showed slightly acidic reaction (5.93), normal EC (0.43 dS m⁻¹), medium available potassium (267 kg ha⁻¹) before application of spentwash. Application of spentwash has enhanced pH level of soil towards neutral (6.97), EC 0.25 dS m⁻¹, available K2O to 376 kg ha⁻¹ and sodium content of 0.73 C mol (P+) kg⁻¹ during the crop growth stage. After harvest of the crops soil analysis data indicated a decrease in pH to 6.28, EC of 0.22 dS m⁻¹, available K₂O to 316 kg ha⁻¹ and Na 0.52 C mol (P⁺) kg⁻¹ compared with crop growth stage. The study showed that, there will be enhancement of potassium levels if the spentwash is applied once to dryland. The yields of both the crops were quantified and found to be in the range of 35.65 to 65.55 q ha⁻¹ and increased yield to the extent of 13.36-22.36 percent as compared to control field (11.36-22.33 q ha⁻¹) in maize crop. Also, finger millet yield was increased with the spentwash application to the extent of 14.21-20.49 percent (9.5-17.73 q ha⁻¹) higher over farmers practice (8.15-14.15 q ha⁻¹).

Keywords: distillery spentwash, finger millet, maize, waste water

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5372 Delivery of Ginseng Extract Containing Phytosome Loaded Microsphere System: A Preclinical Approach for Treatment of Neuropathic Pain in Rodent Model

Authors: Nitin Kumar

Abstract:

Purpose: The current research work focuses mainly on evolving a delivery system for ginseng extract (GE), which in turn will ameliorate the neuroprotective potential by means of enhancing the ginsenoside (Rb1) bio-availability (BA). For more noteworthy enhancement in oral bioavailability (OBA) along with pharmacological properties, the drug carriers’ performance can be strengthened by utilizing phytosomes-loaded microspheres (PM) delivery system. Methods: For preparing the disparate phytosome complexes (F1, F2, and F3), an aqueous extract of ginseng roots (GR) along with phospholipids were reacted in disparate ratio. Considering the outcomes, F3 formulation (spray-dried) was chosen for preparing the phytosomes powder (PP), PM, and extract microspheres (EM). PM was made by means of loading of F3 into Gum Arabic (GA) in addition to maltodextrin polymer mixture, whereas EM was prepared by means of the addition of extract directly into the same polymer mixture. For investigating the neuroprotective effect (NPE) in addition to their pharmacokinetic (PK) properties, PP, PM, and EM formulations were assessed. Results: F3 formulation gave enhanced entrapment efficiency (EE) (i.e., 50.61%) along with good homogeneity of spherical shaped particle size (PS) (42.58 ± 1.4 nm) with least polydispersity index (PDI) (i.e., 0.193 ± 0.01). The sustained release (up to 24 h) of ginsenoside Rb1 (GRb1) is revealed by the dissolution study of PM. A significantly (p < 0.05) greater anti-oxidant (AO) potential of PM can well be perceived as of the diminution in the lipid peroxidase level in addition to the rise in the glutathione superoxide dismutase (SOD) in addition to catalase levels. It also showed a greater neuroprotective potential exhibiting significant (p < 0.05) augmentation in the nociceptive threshold together with the diminution in damage to nerves. A noteworthy enhancement in the relative BA (157.94%) of GRb1 through the PM formulation can well be seen in the PK studies. Conclusion: It is exhibited that the PM system is an optimistic and feasible strategy to enhance the delivery of GE for the effectual treatment of neuropathic pain.

Keywords: ginseng, neuropathic, phytosome, pain

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5371 Lightweight Ceramics from Clay and Ground Corncobs

Authors: N.Quaranta, M. Caligaris, R. Varoli, A. Cristobal, M. Unsen, H. López

Abstract:

Corncobs are agricultural wastes and they can be used as fuel or as raw material in different industrial processes like cement manufacture, contaminant adsorption, chemical compound synthesis, etc. The aim of this work is to characterize this waste and analyze the feasibility of its use as a pore-forming material in the manufacture of lightweight ceramics for the civil construction industry. The characterization of raw materials is carried out by using various techniques: electron diffraction analysis X-ray, differential and gravimetric thermal analyses, FTIR spectroscopy, ecotoxicity evaluation, among others. The ground corncobs, particle size less than 2 mm, are mixed with clay up to 30% in volume and shaped by uniaxial pressure of 25 MPa, with 6% humidity, in moulds of 70mm x 40mm x 18mm. Then the green bodies are heat treated at 950°C for two hours following the treatment curves used in ceramic industry. The ceramic probes are characterized by several techniques: density, porosity and water absorption, permanent volumetric variation, loss on ignition, microscopies analysis, and mechanical properties. DTA-TGA analysis of corncobs shows in the range 20°-250°C a small loss in TGA curve and exothermic peaks at 250°-500°C. FTIR spectrum of the corncobs sample shows the characteristic pattern of this kind of organic matter with stretching vibration bands of adsorbed water, methyl groups, C–O and C–C bonds, and the complex form of the cellulose and hemicellulose glycosidic bonds. The obtained ceramic bodies present external good characteristics without loose edges and adequate properties for the market requirements. The porosity values of the sintered pieces are higher than those of the reference sample without waste addition. The results generally indicate that it is possible to use corncobs as porosity former in ceramic bodies without modifying the usual sintering temperatures employed in the industry.

Keywords: ceramic industry, biomass, recycling, hemicellulose glycosidic bonds

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5370 Improving the Biomechanical Resistance of a Treated Tooth via Composite Restorations Using Optimised Cavity Geometries

Authors: Behzad Babaei, B. Gangadhara Prusty

Abstract:

The objective of this study is to assess the hypotheses that a restored tooth with a class II occlusal-distal (OD) cavity can be strengthened by designing an optimized cavity geometry, as well as selecting the composite restoration with optimized elastic moduli when there is a sharp de-bonded edge at the interface of the tooth and restoration. Methods: A scanned human maxillary molar tooth was segmented into dentine and enamel parts. The dentine and enamel profiles were extracted and imported into a finite element (FE) software. The enamel rod orientations were estimated virtually. Fifteen models for the restored tooth with different cavity occlusal depths (1.5, 2, and 2.5 mm) and internal cavity angles were generated. By using a semi-circular stone part, a 400 N load was applied to two contact points of the restored tooth model. The junctions between the enamel, dentine, and restoration were considered perfectly bonded. All parts in the model were considered homogeneous, isotropic, and elastic. The quadrilateral and triangular elements were employed in the models. A mesh convergence analysis was conducted to verify that the element numbers did not influence the simulation results. According to the criteria of a 5% error in the stress, we found that a total element number of over 14,000 elements resulted in the convergence of the stress. A Python script was employed to automatically assign 2-22 GPa moduli (with increments of 4 GPa) for the composite restorations, 18.6 GPa to the dentine, and two different elastic moduli to the enamel (72 GPa in the enamel rods’ direction and 63 GPa in perpendicular one). The linear, homogeneous, and elastic material models were considered for the dentine, enamel, and composite restorations. 108 FEA simulations were successively conducted. Results: The internal cavity angles (α) significantly altered the peak maximum principal stress at the interface of the enamel and restoration. The strongest structures against the contact loads were observed in the models with α = 100° and 105. Even when the enamel rods’ directional mechanical properties were disregarded, interestingly, the models with α = 100° and 105° exhibited the highest resistance against the mechanical loads. Regarding the effect of occlusal cavity depth, the models with 1.5 mm depth showed higher resistance to contact loads than the model with thicker cavities (2.0 and 2.5 mm). Moreover, the composite moduli in the range of 10-18 GPa alleviated the stress levels in the enamel. Significance: For the class II OD cavity models in this study, the optimal geometries, composite properties, and occlusal cavity depths were determined. Designing the cavities with α ≥100 ̊ was significantly effective in minimizing peak stress levels. The composite restoration with optimized properties reduced the stress concentrations on critical points of the models. Additionally, when more enamel was preserved, the sturdier enamel-restoration interface against the mechanical loads was observed.

Keywords: dental composite restoration, cavity geometry, finite element approach, maximum principal stress

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5369 Reliability Analysis of Variable Stiffness Composite Laminate Structures

Authors: A. Sohouli, A. Suleman

Abstract:

This study focuses on reliability analysis of variable stiffness composite laminate structures to investigate the potential structural improvement compared to conventional (straight fibers) composite laminate structures. A computational framework was developed which it consists of a deterministic design step and reliability analysis. The optimization part is Discrete Material Optimization (DMO) and the reliability of the structure is computed by Monte Carlo Simulation (MCS) after using Stochastic Response Surface Method (SRSM). The design driver in deterministic optimization is the maximum stiffness, while optimization method concerns certain manufacturing constraints to attain industrial relevance. These manufacturing constraints are the change of orientation between adjacent patches cannot be too large and the maximum number of successive plies of a particular fiber orientation should not be too high. Variable stiffness composites may be manufactured by Automated Fiber Machines (AFP) which provides consistent quality with good production rates. However, laps and gaps are the most important challenges to steer fibers that effect on the performance of the structures. In this study, the optimal curved fiber paths at each layer of composites are designed in the first step by DMO, and then the reliability analysis is applied to investigate the sensitivity of the structure with different standard deviations compared to the straight fiber angle composites. The random variables are material properties and loads on the structures. The results show that the variable stiffness composite laminate structures are much more reliable, even for high standard deviation of material properties, than the conventional composite laminate structures. The reason is that the variable stiffness composite laminates allow tailoring stiffness and provide the possibility of adjusting stress and strain distribution favorably in the structures.

Keywords: material optimization, Monte Carlo simulation, reliability analysis, response surface method, variable stiffness composite structures

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5368 Study of Elastic-Plastic Fatigue Crack in Functionally Graded Materials

Authors: Somnath Bhattacharya, Kamal Sharma, Vaibhav Sonkar

Abstract:

Composite materials emerged in the middle of the 20th century as a promising class of engineering materials providing new prospects for modern technology. Recently, a new class of composite materials known as functionally graded materials (FGMs) has drawn considerable attention of the scientific community. In general, FGMs are defined as composite materials in which the composition or microstructure or both are locally varied so that a certain variation of the local material properties is achieved. This gradual change in composition and microstructure of material is suitable to get gradient of properties and performances. FGMs are synthesized in such a way that they possess continuous spatial variations in volume fractions of their constituents to yield a predetermined composition. These variations lead to the formation of a non-homogeneous macrostructure with continuously varying mechanical and / or thermal properties in one or more than one direction. Lightweight functionally graded composites with high strength to weight and stiffness to weight ratios have been used successfully in aircraft industry and other engineering applications like in electronics industry and in thermal barrier coatings. In the present work, elastic-plastic crack growth problems (using Ramberg-Osgood Model) in an FGM plate under cyclic load has been explored by extended finite element method. Both edge and centre crack problems have been solved by taking additionally holes, inclusions and minor cracks under plane stress conditions. Both soft and hard inclusions have been implemented in the problems. The validity of linear elastic fracture mechanics theory is limited to the brittle materials. A rectangular plate of functionally graded material of length 100 mm and height 200 mm with 100% copper-nickel alloy on left side and 100% ceramic (alumina) on right side is considered in the problem. Exponential gradation in property is imparted in x-direction. A uniform traction of 100 MPa is applied to the top edge of the rectangular domain along y direction. In some problems, domain contains major crack along with minor cracks or / and holes or / and inclusions. Major crack is located the centre of the left edge or the centre of the domain. The discontinuities, such as minor cracks, holes, and inclusions are added either singly or in combination with each other. On the basis of this study, it is found that effect of minor crack in the domain’s failure crack length is minimum whereas soft inclusions have moderate effect and the effect of holes have maximum effect. It is observed that the crack growth is more before the failure in each case when hard inclusions are present in place of soft inclusions.

Keywords: elastic-plastic, fatigue crack, functionally graded materials, extended finite element method (XFEM)

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5367 Synthesis of Highly Active Octahedral NaInS₂ for Enhanced H₂ Evolution

Authors: C. K. Ngaw

Abstract:

Crystal facet engineering, which involves tuning and controlling a crystal surface and morphology, is a commonly employed strategy to optimize the performance of crystalline nanocrystals. The principle behind this strategy is that surface atomic rearrangement and coordination, which inherently determines their catalytic activity, can be easily tuned by morphological control. Because of this, the catalytic properties of a nanocrystal are closely related to the surface of an exposed facet, and it has provided great motivation for researchers to synthesize photocatalysts with high catalytic activity by maximizing reactive facets exposed through morphological control. In this contribution, octahedral NaInS₂ crystals have been successfully developed via solvothermal method. The formation of the octahedral NaInS₂ crystals was investigated using field emission scanning electron microscope (FESEM) and X-Ray diffraction (XRD), and results have shown that the concentration of sulphur precursor plays an important role in the growth process, leading to the formation of other NaInS₂ crystal structures in the form of hexagonal nanosheets and microspheres. Structural modeling analysis suggests that the octahedral NaInS₂ crystals were enclosed with {012} and {001} facets, while the nanosheets and microspheres are bounded with {001} facets only and without any specific facets, respectively. Visible-light photocatalytic H₂ evolution results revealed that the octahedral NaInS₂ crystals (~67 μmol/g/hr) exhibit ~6.1 and ~2.3 times enhancement as compared to the conventional NaInS₂ microspheres (~11 μmol/g/hr) and nanosheets (~29 μmol/g/hr), respectively. The H₂ enhancement of the NaInS₂ octahedral crystal is attributed to the presence of {012} facets on the surface. Detailed analysis of the octahedron model revealed obvious differences in the atomic arrangement between the {001} and {012} facets and this can affect the interaction between the water molecules and the surface facets before reducing into H₂ gas. These results highlight the importance of tailoring crystal morphology with highly reactive facets in improving photocatalytic properties.

Keywords: H₂ evolution, photocatalysis, octahedral, reactive facets

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5366 Effect of Compaction Method on the Mechanical and Anisotropic Properties of Asphalt Mixtures

Authors: Mai Sirhan, Arieh Sidess

Abstract:

Asphaltic mixture is a heterogeneous material composed of three main components: aggregates; bitumen and air voids. The professional experience and scientific literature categorize asphaltic mixture as a viscoelastic material, whose behavior is determined by temperature and loading rate. Properties characterization of the asphaltic mixture used under the service conditions is done by compacting and testing cylindric asphalt samples in the laboratory. These samples must resemble in a high degree internal structure of the mixture achieved in service, and the mechanical characteristics of the compacted asphalt layer in the pavement. The laboratory samples are usually compacted in temperatures between 140 and 160 degrees Celsius. In this temperature range, the asphalt has a low degree of strength. The laboratory samples are compacted using the dynamic or vibrational compaction methods. In the compaction process, the aggregates tend to align themselves in certain directions that lead to anisotropic behavior of the asphaltic mixture. This issue has been studied in the Strategic Highway Research Program (SHRP) research, that recommended using the gyratory compactor based on the assumption that this method is the best in mimicking the compaction in the service. In Israel, the Netivei Israel company is considering adopting the Gyratory Method as a replacement for the Marshall method used today. Therefore, the compatibility of the Gyratory Method for the use with Israeli asphaltic mixtures should be investigated. In this research, we aimed to examine the impact of the compaction method used on the mechanical characteristics of the asphaltic mixtures and to evaluate the degree of anisotropy in relation to the compaction method. In order to carry out this research, samples have been compacted in the vibratory and gyratory compactors. These samples were cylindrically cored both vertically (compaction wise) and horizontally (perpendicular to compaction direction). These models were tested under dynamic modulus and permanent deformation tests. The comparable results of the tests proved that: (1) specimens compacted by the vibratory compactor had higher dynamic modulus values than the specimens compacted by the gyratory compactor (2) both vibratory and gyratory compacted specimens had anisotropic behavior, especially in high temperatures. Also, the degree of anisotropy is higher in specimens compacted by the gyratory method. (3) Specimens compacted by the vibratory method that were cored vertically had the highest resistance to rutting. On the other hand, specimens compacted by the vibratory method that were cored horizontally had the lowest resistance to rutting. Additionally (4) these differences between the different types of specimens rise mainly due to the different internal arrangement of aggregates resulting from the compaction method. (5) Based on the initial prediction of the performance of the flexible pavement containing an asphalt layer having characteristics based on the results achieved in this research. It can be concluded that there is a significant impact of the compaction method and the degree of anisotropy on the strains that develop in the pavement, and the resistance of the pavement to fatigue and rutting defects.

Keywords: anisotropy, asphalt compaction, dynamic modulus, gyratory compactor, mechanical properties, permanent deformation, vibratory compactor

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5365 Hot Cracking Susceptibility Evaluation of the Advanced UNS S31035 Austenitic Stainless Steel by Varestraint Weldability Testing

Authors: Mikael M. Johansson, Peter Stenvall, Leif Karlsson, Joel Andersson

Abstract:

Sandvik Sanicro 25, UNS S31035, is an advanced high temperature austenitic stainless steel that potentially can be used in super-heaters and reheaters in the next generation of advanced ultra-super critical power plants. The material possesses both high creep strength and good corrosion resistance at temperatures up to 700°C. Its high temperature properties are positioned between other commercially available high temperature austenitic stainless steels and nickel-based alloys. It is, however, well known that an austenitic solidification mode combined with a fully austenitic microstructure exacerbate susceptibility towards hot cracking. The problem increases even more for thick walled material in multipass welding and could compromise the integrity of the welded component. Varestraint weldability testing is commonly used to evaluate susceptibility towards hot cracking of materials. In this paper, Varestraint test results are evaluated for base material of both UNS S31035 steel and are compared to those of the well-known and well-characterized UNS S31008 grade. The more creep resistant alloy, UNS S31035, is metallurgically more complicated than the UNS S31008 grade and has additions of several alloying elements to improve its high temperature properties. It benefits from both solid solution hardening as well as precipitation hardening. This investigation therefore attempts, based on the Varestraint weldability test, to understand if there are any differences in cracking mechanisms between these two grades due to the additional alloying elements used in UNS S31035. Results from Varestraint testing and crack type investigations will be presented and discussed in some detail. It is shown that hot cracking susceptibility of the UNS S31035 steel is only slightly higher than that of UNS S31008 despite the more complicated metallurgy. Weldability of the two alloys is therefore judged to be comparable making the newer alloy well suited also for critical applications.

Keywords: austenitic stainless steel, hot cracking susceptibility, UNS S31035, UNS S31008, varestraint weldability testing

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5364 Fabrication Characteristics and Mechanical Behaviour of Fly Ash-Alumina Reinforced Zn-27Al Alloy Matrix Hybrid Composite Using Stir-Casting Technique

Authors: Oluwagbenga B. Fatile, Felix U. Idu, Olajide T. Sanya

Abstract:

This paper reports the viability of developing Zn-27Al alloy matrix hybrid composites reinforced with alumina, graphite and fly ash (a solid waste byproduct of coal in thermal power plants). This research work was aimed at developing low cost-high performance Zn-27Al matrix composite with low density. Alumina particulates (Al2O3), graphite added with 0, 2, 3, 4, and 5 wt% fly ash were utilized to prepare 10wt% reinforcing phase with Zn-27Al alloy as matrix using two-step stir casting method. Density measurement estimated percentage porosity, tensile testing, micro hardness measurement, and optical microscopy were used to assess the performance of the composites produced. The results show that the hardness, ultimate tensile strength, and percent elongation of the hybrid composites decrease with increase in fly ash content. The maximum decrease in hardness and ultimate tensile strength of 13.72% and 15.25% respectively were observed for composite grade containing 5wt% fly ash. The percentage elongation of composite sample without fly ash is 8.9% which is comparable with that of the sample containing 2wt% fly ash with percentage elongation of 8.8%. The fracture toughness of the fly ash containing composites was, however, superior to those of composites without fly ash with 5wt% fly ash containing composite exhibiting the highest fracture toughness. The results show that fly ash can be utilized as complementary reinforcement in ZA-27 alloy matrix composite to reduce cost.

Keywords: fly ash, hybrid composite, mechanical behaviour, stir-cast

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5363 Design Approach of the Turbocompressor for Aerospace Industry

Authors: Halil Baris Cit, Mert Durmaz

Abstract:

Subsequent to the design of the compact centrifugal compressor, which is specifically intended to be used in aviation platforms, the process has been evaluated within the context of this study. A trade-off study matrix for future studies has been formed after making comparison between the design and the previous studies taking part in literature. While the power consumption of the designed compressor will be approximately 25 kW, the working fluid will be refrigerant. Properties such as thermodynamic properties and Global Warmin Potential(GWP)-Ozone Depletion Potential(ODP) Values of the fluid have been taken into consideration during the selection process of the refrigerant. Concepts NREC and ANSYS Vista CCD software have been used in the part of conceptual design, and R1233ZD has been selected as the refrigerant. Real-gas Computational Fluid Dynamic(CFD) analysis has been carried out with different cubic equations of state in the ANSYS CFX solver so as to figure out the most suitable solution method. These equations are named as “The Redlich Kwong”, “Soave Redlich Kwong”, “Augnier Redlick Kwong,” and “Peng Robinson.” By being used the mentioned solution equations in the same compressor configuration, analysis also have been carried out with two gases having different characteristics. As a result of the 12 analysis carried out with three different refrigerants—R11, R134A, and R1233zd—and four different solution equations mentioned above, the most accurate solution method has been selected by comparing the densities of the gases at different pressure and temperature points. The results have been analyzed within two titles following to the completion of the design with the selected equation. The first one is a trade-off study matrix presenting a comparison regarding the compact centrifugal compressor operating with the refrigerant to be designed. This comparison is between some dimensionless and dimensional parameters determined before the design and their values in the literature. Second one will show the differences between the actual density and the density in the design software in each real gas analysis method, along with the effects of it on the design.

Keywords: turbocompressor, refrigerant, aviation, aerospace compressor

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5362 Treatment with RRx-001, a Minimally Toxic NLRP3 Inhibitor in Phase 3 Clinical Trials, Improves Exercise and Skeletal Muscle Oxidative Capacity in Untrained Mice

Authors: Pedro Cabrales, Scott Caroen, Tony R. Reid, Bryan Oronsky

Abstract:

Introduction and Purpose RRx-001 is an NLRP3 inhibitor and Nrf2 agonist in Phase 3 trials for the treatment of cancer. The purpose of this study was to examine whether treatment with RRx-001, given itsanti-inflammatory and antioxidant properties, improvedexercise and skeletal muscle oxidative capacity in mice on the generalpremiss that better health outcomes correlatewith more activity. Material and Methods Male and female adult mice (n=6 per group) were subjected to an endurance exercise capacity (EEC)test until exhaustion on a motorized treadmill after 3 once weekly doses of either RRx-001 5 mg/kg, RRx-001 2 mg/kg, or vehicle. The EEC protocol consisted of a treadmill velocity of 30meters per min at an uphill inclination (slope of 10%) until the mice reached fatigue, which was defined as the inability of the mice to maintain the appropriate pace despitecontinuous hand stimulation for 1 min. The concentration of malondialdehyde (MDA), an indicator of lipid peroxidation, and creatine kinase (CK), an indicator of muscle damage, in the blood samples collected immediately after the acute exercise was determined with a commercial ELISA assay kit. ResultsThe exhaustive exercise times of the RRx-001 groups were significantly longer than that of the vehicle group (p<0.05) by weeks 2 and 3. In addition, MDA levels in the gastrocnemius, soleus, and extensor digitorum longus muscles were significantly lower than those of the vehicle group were (p<0.05), as were the serum CK levels(p<0.05). ConclusionsIn conclusion, this study found that RRx-001 has anti-fatigue properties, as evidenced by an increase in exercise capacity with RRx-001 treatment, and protects against strenuous exercise-induced muscle damage and lipid peroxidation. This data potentially supports the use of RRx-001 in the clinic to improve exercise performance and reduce physical fatigue.

Keywords: RRx-001, anti-fatigue, muscle protection, increased exercise tolerance, lipid peroxidation

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5361 Surface Modification of Titanium Alloy with Laser Treatment

Authors: Nassier A. Nassir, Robert Birch, D. Rico Sierra, S. P. Edwardson, G. Dearden, Zhongwei Guan

Abstract:

The effect of laser surface treatment parameters on the residual strength of titanium alloy has been investigated. The influence of the laser surface treatment on the bonding strength between the titanium and poly-ether-ketone-ketone (PEKK) surfaces was also evaluated and compared to those offered by titanium foils without surface treatment to optimize the laser parameters. Material characterization using an optical microscope was carried out to study the microstructure and to measure the mean roughness value of the titanium surface. The results showed that the surface roughness shows a significant dependency on the laser power parameters in which surface roughness increases with the laser power increment. Moreover, the results of the tensile tests have shown that there is no significant dropping in tensile strength for the treated samples comparing to the virgin ones. In order to optimize the laser parameter as well as the corresponding surface roughness, single-lap shear tests were conducted on pairs of the laser treated titanium stripes. The results showed that the bonding shear strength between titanium alloy and PEKK film increased with the surface roughness increment to a specific limit. After this point, it is interesting to note that there was no significant effect for the laser parameter on the bonding strength. This evidence suggests that it is not necessary to use very high power of laser to treat titanium surface to achieve a good bonding strength between titanium alloy and the PEKK film.

Keywords: bonding strength, laser surface treatment, PEKK, poly-ether-ketone-ketone, titanium alloy

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5360 Determination of the Axial-Vector from an Extended Linear Sigma Model

Authors: Tarek Sayed Taha Ali

Abstract:

The dependence of the axial-vector coupling constant gA on the quark masses has been investigated in the frame work of the extended linear sigma model. The field equations have been solved in the mean-field approximation. Our study shows a better fitting to the experimental data compared with the existing models.

Keywords: extended linear sigma model, nucleon properties, axial coupling constant, physic

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5359 Structural Properties, Natural Bond Orbital, Theory Functional Calculations (DFT), and Energies for Fluorous Compounds: C13H12F7ClN2O

Authors: Shahriar Ghammamy, Masomeh Shahsavary

Abstract:

In this paper, the optimized geometries and frequencies of the stationary point and the minimum energy paths of C13H12F7ClN2O are calculated by using the DFT (B3LYP) methods with LANL2DZ basis sets. B3LYP/ LANL2DZ calculation results indicated that some selected bond length and bond angles values for the C13H12F7ClN2O.

Keywords: C13H12F7ClN2O, vatural bond orbital, fluorous compounds, functional calculations

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5358 Psychological Capital: Convergent and Discriminant Validity of a Reconfigured Measure

Authors: Anton Grobler

Abstract:

Background: Psychological capital (PsyCap), consisting of Hope, Optimism, Resilience, and Self-efficacy, is a popular positive organisational behaviour construct utilised in the studying employee work and behavioral attitudes. Various scholars believe however that further validity research should be conducted on the PsyCap questionnaire (PCQ), outside of the founding research team and in more diverse settings, for the purpose of this paper, within the diverse South African (SA) context. Aim: The purpose of this study was to investigate the construct validity of the PCQ with specific reference to its psychometric properties within the diverse SA context. Setting: The sample includes a total of 1 749 respondents, ± 60 each from 30 organisations in South Africa. Method: This study utilised a cross-sectional design and quantitative analysis. The sample is relatively representative (in terms of race, gender) of the South African workforce. A multi-factorial model was statistically explored and confirmed (with exploratory factor analysis [EFA] and confirmatory factor analysis [CFA] respectively). Results: The study yielded a three-factor solution, with Hope and Optimism as a combined factor and Resilience and Self-efficacy made up of a reconfigured set of substantively justifiable items. Three items of the original 24 items were found not to be suitable. The three factors showed good psychometric properties, good fit (in support of construct validity) and acceptable levels of convergent and discriminant validity. Conclusion: The results support the original conceptualisation of PsyCap, although with a unique structural configuration. This resonates with the notion of scholars that further research should be conducted within diverse settings. This is necessary to ensure the valid measurement of the construct, which is considered to be one of the four criteria for a construct to be categorised as a positive organisational behaviour construct.

Keywords: positive organisational behaviour, psychological capital, hope, optimism, resilience, self-efficacy, construct validity

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5357 Compact LWIR Borescope Sensor for Surface Temperature of Engine Components

Authors: Andy Zhang, Awnik Roy, Trevor B. Chen, Bibik Oleksandr, Subodh Adhikari, Paul S. Hsu

Abstract:

The durability of a combustor in gas-turbine enginesrequiresa good control of its component temperatures. Since the temperature of combustion gases frequently exceeds the melting point of the combustion liner walls, an efficient air-cooling system is significantly important to elongatethe lifetime of liner walls. To determine the effectiveness of the air-cooling system, accurate 2D surface temperature measurement of combustor liner walls is crucial for advanced engine development. Traditional diagnostic techniques for temperature measurement, such as thermocouples, thermal wall paints, pyrometry, and phosphors, have shown disadvantages, including being intrusive and affecting local flame/flow dynamics, potential flame quenching, and physical damages to instrumentation due to harsh environments inside the combustor and strong optical interference from strong combustion emission in UV-Mid IR wavelength. To overcome these drawbacks, a compact and small borescope long-wave-infrared (LWIR) sensor is developed to achieve two-dimensional high-spatial resolution, high-fidelity thermal imaging of 2D surface temperature in gas-turbine engines, providing the desired engine component temperature distribution. The compactLWIRborescope sensor makes it feasible to promote the durability of combustor in gas-turbine engines.

Keywords: borescope, engine, long-wave-infrared, sensor

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5356 A Density Function Theory Based Comparative Study of Trans and Cis - Resveratrol

Authors: Subhojyoti Chatterjee, Peter J. Mahon, Feng Wang

Abstract:

Resveratrol (RvL), a phenolic compound, is a key ingredient in wine and tomatoes that has been studied over the years because of its important bioactivities such as anti-oxidant, anti-aging and antimicrobial properties. Out of the two isomeric forms of resveratrol i.e. trans and cis, the health benefit is primarily associated with the trans form. Thus, studying the structural properties of the isomers will not only provide an insight into understanding the RvL isomers, but will also help in designing parameters for differentiation in order to achieve 99.9% purity of trans-RvL. In the present study, density function theory (DFT) study is conducted, using the B3LYP/6-311++G** model to explore the through bond and through space intramolecular interactions. Properties such as vibrational spectroscopy (IR and Raman), nuclear magnetic resonance (NMR) spectra, excess orbital energy spectrum (EOES), energy based decomposition analyses (EDA) and Fukui function are calculated. It is discovered that the structure of trans-RvL, although it is C1 non-planar, the backbone non-H atoms are nearly in the same plane; whereas the cis-RvL consists of two major planes of R1 and R2 that are not in the same plane. The absence of planarity gives rise to a H-bond of 2.67Å in cis-RvL. Rotation of the C(5)-C(8) single bond in trans-RvL produces higher energy barriers since it may break the (planar) entire conjugated structure; while such rotation in cis-RvL produces multiple minima and maxima depending on the positions of the rings. The calculated FT-IR spectrum shows very different spectral features for trans and cis-RvL in the region 900 – 1500 cm-1, where the spectral peaks at 1138-1158 cm-1 are split in cis-RvL compared to a single peak at 1165 cm-1 in trans-RvL. In the Raman spectra, there is significant enhancement of cis-RvL in the region above 3000cm-1. Further, the carbon chemical environment (13C NMR) of the RvL molecule exhibit a larger chemical shift for cis-RvL compared to trans-RvL (Δδ = 8.18 ppm) for the carbon atom C(11), indicating that the chemical environment of the C group in cis-RvL is more diverse than its other isomer. The energy gap between highest occupied molecular orbital (HOMO) and the lowest occupied molecular orbital (LUMO) is 3.95 eV for trans and 4.35 eV for cis-RvL. A more detailed inspection using the recently developed EOES revealed that most of the large energy differences i.e. Δεcis-trans > ±0.30 eV, in their orbitals are contributed from the outer valence shell. They are MO60 (HOMO), MO52-55 and MO46. The active sites that has been captured by Fukui function (f + > 0.08) are associated with the stilbene C=C bond of RvL and cis-RvL is more active at these sites than in trans-RvL, as cis orientation breaks the large conjugation of trans-RvL so that the hydroxyl oxygen’s are more active in cis-RvL. Finally, EDA highlights the interaction energy (ΔEInt) of the phenolic compound, where trans is preferred over the cis-RvL (ΔΔEi = -4.35 kcal.mol-1) isomer. Thus, these quantum mechanics results could help in unwinding the diversified beneficial activities associated with resveratrol.

Keywords: resveratrol, FT-IR, Raman, NMR, excess orbital energy spectrum, energy decomposition analysis, Fukui function

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5355 Development of Automatic Laser Scanning Measurement Instrument

Authors: Chien-Hung Liu, Yu-Fen Chen

Abstract:

This study used triangular laser probe and three-axial direction mobile platform for surface measurement, programmed it and applied it to real-time analytic statistics of different measured data. This structure was used to design a system integration program: using triangular laser probe for scattering or reflection non-contact measurement, transferring the captured signals to the computer through RS-232, and using RS-485 to control the three-axis platform for a wide range of measurement. The data captured by the laser probe are formed into a 3D surface. This study constructed an optical measurement application program in the concept of visual programming language. First, the signals are transmitted to the computer through RS-232/RS-485, and then the signals are stored and recorded in graphic interface timely. This programming concept analyzes various messages, and makes proper presentation graphs and data processing to provide the users with friendly graphic interfaces and data processing state monitoring, and identifies whether the present data are normal in graphic concept. The major functions of the measurement system developed by this study are thickness measurement, SPC, surface smoothness analysis, and analytical calculation of trend line. A result report can be made and printed promptly. This study measured different heights and surfaces successfully, performed on-line data analysis and processing effectively, and developed a man-machine interface for users to operate.

Keywords: laser probe, non-contact measurement, triangulation measurement principle, statistical process control, labVIEW

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