Search results for: carbon-fluorine bond stability

Authors: Ralph Gruber, Martina Hafner, Theresia Greunz, Christian Reisecker, David Stifter

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The application of dry lubricant on aluminium for automotive industry is indispensable for a high-quality forming behaviour. To provide a short production time those forming aids will not be removed during the joining step. The aim of this study was the characterization of the influence of dry lubricants on the bond strength and the corrosion resistance of an 6xxx aluminium alloy for automotive applications. For this purpose, samples with a well-defined surface were lubricated with 1 g/m² dry lubricant and joined with a commercial thermosetting 1K-epoxy structural adhesive. The bond strength was characterized by means of lap shear test. To evaluate the corrosion resistance of the adhered aluminium samples an immersion test in 5 w% NaCl-solution was used. Based on fracture pattern analysis, the corrosion behaviour could be described. Dissolved corrosion products were examined using ICP-MS and NMR. By means of SEM/EDX the elementary composition of precipitated solids was determined. The results showed a dry lubricant independent bond strength for standard testing conditions. However, a significant effect of the forming aid, regarding the corrosion resistance of adhered aluminium samples against corrosive infiltration of the metal-adhesive-interface, was observed

Keywords: aluminium alloys, dry film lubricants, automotive industry, adhesive bonding, corrosion

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Authors: Dilip K. Paul

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The most popular mesoporous molecular sieves, Mobil Composition of Matter (MCM) are keenly studied by researchers because of these materials possess amorphous silica wall and have a long range of ordered framework with uniform mesopores. These materials also possess large surface area, which can be up to more than 1000 m2g−1. Herein the investigation is focused upon the synthesis and characterization of chromium and aluminum doped MCM-41 using XRD and FTIR. Acid-base properties of Cr-Al-MCM 41 was investigated by molecularly sensitive transmission FT-IR spectroscopy by adsorbing pyridine. In addition, these MCM nanomaterial was used to catalyze C-C bond formation from acetaldehyde adsorption. The assignment of all infrared peaks during adsorption of pyridine provided detail information on the presence of acid-base sites which in turn helped us to explain the roles of these in the condensation reaction of aldehyde. Reaction mechanisms of C-C bond formation is therefore explored to shed some light on this elusive reaction detail.

Keywords: mesoporous nanomaterial, MCM 41, FTIR studies, acid-base studies

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Authors: Petra Palic, Maruska Vizek

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We provide an in-depth analysis of interdependence of asset returns and volatilities in developed and developing countries. The analysis is split into three parts. In the first part, we use multivariate GARCH model in order to provide stylized facts on cross-market volatility spillovers. In the second part, we use a generalized vector autoregressive methodology developed by Diebold and Yilmaz (2009) in order to estimate separate measures of return spillovers and volatility spillovers among sovereign bond, equity, foreign exchange and commodity markets. In particular, our analysis is focused on cross-market return, and volatility spillovers in 19 developed and developing countries. In order to estimate named spillovers, we use daily data from 2008 to 2017. In the third part of the analysis, we use a generalized vector autoregressive framework in order to estimate total and directional volatility spillovers. We use the same daily data span for one developed and one developing country in order to characterize daily volatility spillovers across stock, bond, foreign exchange and commodities markets.

Keywords: cross-market spillovers, sovereign bond markets, equity markets, value at risk (VAR)

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Authors: Günevi Uslu Evren

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Propaganda is one of the most effective methods for changing individual and mass opinions. Propaganda tries to get the message across to people or masses to effect rather than to provide objective information. There are many types of propaganda. Especially, political propaganda is a very powerful method that is used by states during in both war and peace. The aim of this method is to create a reaction against them by showing within the framework of internal and external enemies. Propaganda can be practiced by many different methods. Especially during the Cold War Era, the US and USSR have tried to create an ideological effect by using the mass media intensively. Cinema, which is located at the beginning of these methods, is the most powerful weapon to influence the masses. In this study, the historical process of the Cold War is examined. Especially, these propagandas that had been used by United States and The Soviet Union were investigated. The purposes of propaganda and construction methods were presented. Cold War events and relations between the US and the USSR during the Cold War will be discussed. Outlooks of two countries to each other during the Cold War, propaganda techniques used defectively during Cold War and how to use the cinema as a propaganda tool will be examined. The film "From Russia with Love, James Bond 007" that was filmed in Cold War were examined to explain how cinema was used as a propaganda tool in this context.

Keywords: cinema, cold war, James Bond, propaganda

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Authors: Arcady Ponosov., Ramazan Kadiev

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The work studies the global moment stability of solutions of systems of nonlinear differential Itô equations with delays. A modified regularization method (W-method) for the analysis of various types of stability of such systems, based on the choice of the auxiliaryequations and applications of the theory of positive invertible matrices, is proposed and justified. Development of this method for deterministic functional differential equations is due to N.V. Azbelev and his students. Sufficient conditions for the moment stability of solutions in terms of the coefficients for sufficiently general as well as specific classes of Itô equations are given.

Keywords: asymptotic stability, delay equations, operator methods, stochastic noise

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Authors: Camille A. Issa, Omar Masri

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In the study, the commercial finite element software Abaqus was used to develop a three-dimensional nonlinear finite element model capable of simulating the pull-out test of reinforcing bars from underwater concrete. The results of thirty-two pull-out tests that have different parameters were implemented in the software to study the effect of the concrete cover, the bar size, the use of stirrups, and the compressive strength of concrete. The interaction properties used in the model provided accurate results in comparison with the experimental bond-slip results, thus the model has successfully simulated the pull-out test. The results of the finite element model are used to better understand and visualize the distribution of stresses in each component of the model, and to study the effect of the various parameters used in this study including the role of the stirrups in preventing the stress from reaching to the sides of the specimens.

Keywords: pull-out test, bond strength, underwater concrete, nonlinear finite element analysis, abaqus

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Authors: Woo-tai Jung, Jong-sup Park, Jae-yoon Kang, Moon-seoung Keum

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CFRP (Carbon Fiber Reinforced Polymer) is mainly used as reinforcing material for degraded structures owing to its advantages including its non-corrodibility, high strength, and lightweight properties. Recently, dedicated studies focused not only on its simple bonding but also on its tensioning. The tension necessary for prestressing requires the anchoring of multi-CFRP tendons with high capacity and the surface treatment of the CFRP tendons may also constitute an important issue according to the type of anchor. The wedge type, swage type or bonded type anchor can be used to anchor the CFRP tendon. The bonded type anchor presents the disadvantage to lengthen the length of the anchor due to the low bond strength of the CFRP tendon without surface treatment. This study intends to overcome this drawback through the application of a method enlarging the bond area at the end of the CFRP tendon. This method enlarges the bond area by splitting the end of the CFRP tendon along its length and can be applied when CFRP is produced by pultrusion. The application of this method shows that the mono-CFRP tendon and 3-multi CFRP tendon secured the anchor performance corresponding to the tensile performance of the CFRP tendon and that the 7-multi tendon secured anchor performance corresponding to 90% of the tensile strength due to the occurrence of buckling in the steel tube anchorage.

Keywords: carbon fiber reinforced polymer (CFRP), tendon, anchor, tensile property, bond strength

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Authors: Fakhreddin Abedi, Wah June Leong

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Exponential stability of stochastic differential equations with non trivial solutions is provided in terms of Lyapunov functions. The main result of this paper establishes that, under certain hypotheses for the dynamics f(.) and g(.), practical exponential stability in probability at the small neighborhood of the origin is equivalent to the existence of an appropriate Lyapunov function. Indeed, we establish exponential stability of stochastic differential equation when almost all the state trajectories are bounded and approach a sufficiently small neighborhood of the origin. We derive sufficient conditions for exponential stability of stochastic differential equations. Finally, we give a numerical example illustrating our results.

Keywords: exponential stability in probability, stochastic differential equations, Lyapunov technique, Ito's formula

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Authors: P. van Tonder, U. Bagdadi, B. M. D. Lario, Z. Masina, T. R. Motshwari

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This paper analyses how concrete reinforcing steel bars corrode and how it can be minimised through the use of various protection methods against corrosion, such as metal-based paint, alloying, cathodic protection and electroplating. Samples of carbon steel bars were protected, using these four methods. Tests performed on the samples included durability, electrical resistivity and bond strength. Durability results indicated relatively low corrosion rates for alloying, cathodic protection, electroplating and metal-based paint. The resistivity results indicate all samples experienced a downward trend, despite erratic fluctuations in the data, indicating an inverse relationship between electrical resistivity and corrosion rate. The results indicated lowered bond strengths when the reinforced concrete was cured in seawater compared to being cured in normal water. It also showed that higher design compressive strengths lead to higher bond strengths which can be used to compensate for the loss of bond strength due to corrosion in a real-world application. In terms of implications, all protection methods have the potential to be effective at resisting corrosion in real-world applications, especially the alloying, cathodic protection and electroplating methods. The metal-based paint underperformed by comparison, most likely due to the nature of paint in general which can fade and chip away, revealing the steel samples and exposing them to corrosion. For alloying, stainless steel is the suggested material of choice, where Y-bars are highly recommended as smooth bars have a much-lowered bond strength. Cathodic protection performed the best of all in protecting the sample from corrosion, however, its real-world application would require significant evaluation into the feasibility of such a method.

Keywords: protection methods, corrosion, concrete, reinforcing steel bars

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Authors: Nasser Ghassembaglou, Abdullah Bolek, Oktay Yilmaz, Ertan Oznergiz, Hikmet Kocabas, Safak Yilmaz

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High quality air filters production using nanofibers, as a functional material, has frequently been investigated. As it is more environmentally friendly, melting method has been selected to produce nanofibers. Spun-bond production systems consist of extruder, spin-pump, nozzle package and attenuators. Spin-pump makes molten polymer steady, which flows through extruder. Fibers are formed by regular melts passing through nuzzle holes under high pressure. Attenuator prolongs fibers to micron size to be collected on a conveyor. Different designs of attenuator systems have been studied in this research; new analysis have been done on existed designs considering fibers effect on air flow; it was comprehended that, at fibers presence, there is an air flow which agglomerates fibers as a negative effect. So some new representations have been designed and CFD analysis have been done on them. Afterwards, one of these representations selected as the most optimum and effective design which is brought in this paper.

Keywords: attenuator, CFD, nanofiber, spun-bond

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Authors: Nicolas D. Norboge

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Purchasers of municipal bonds in primary and secondary markets are increasingly expecting issuers to disclose environmental, social, and governance factors (ESG) inissuance and continuing disclosure documents. U.S. tolling authorities are slowly catching up with other transportation sectors, such as public transit, in integrating ESG factors into their bond disclosure documents. A systematic mixed-methods evaluation of publicly available bond disclosure documents from 2010-2022 suggest that only a small number of U.S. tolling authorities disclosedall ESG factors; however, the pace has accelerated significantly from 2020-2022. Because many tolling authorities have a direct financial stake in the growth of passenger vehicle miles traveled on their toll facilities, and in turn the burning of more climate-warming fossil fuels, one crucial questionthat remains is how bond purchasers will view increasedESG transparency. Recent moves by large institutional investors, credit rating agencies, and regulators suggestan expectation of ESG disclosure is a trend likely to endure. This researchsuggests tolling authorities will need to proactively consider these emerging trends and carefully adapt their disclosure practiceswhere possible. Building on these findings, this research also provides a basic sketch framework for how issuers can responsibly position themselves within the changing global municipal debt marketplace.

Keywords: debt policy, ESG, municipal bonds, public-private partnerships, public tolling authorities, transportation finance, and policy

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Authors: Choukri Lekbir, Mira Mokhtari

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Hydrogen-Materials interaction and mechanisms can be modeled at nano scale by quantum methods. In this work, the effect of hydrogen on the electronic properties of a cluster material model «nickel» has been studied by using of density functional theoretical (DFT) method. Two types of clusters are optimized: Nickel and hydrogen-nickel system. In the case of nickel clusters (n = 1-6) without presence of hydrogen, three types of electronic structures (neutral, cationic and anionic), have been optimized according to three basis sets calculations (B3LYP/LANL2DZ, PW91PW91/DGDZVP2, PBE/DGDZVP2). The comparison of binding energies and bond lengths of the three structures of nickel clusters (neutral, cationic and anionic) obtained by those basis sets, shows that the results of neutral and anionic nickel clusters are in good agreement with the experimental results. In the case of neutral and anionic nickel clusters, comparing energies and bond lengths obtained by the three bases, shows that the basis set PBE/DGDZVP2 is most suitable to experimental results. In the case of anionic nickel clusters (n = 1-6) with presence of hydrogen, the optimization of the hydrogen-nickel (anionic) structures by using of the basis set PBE/DGDZVP2, shows that the binding energies and bond lengths increase compared to those obtained in the case of anionic nickel clusters without the presence of hydrogen, that reveals the armor effect exerted by hydrogen on the electronic structure of nickel, which due to the storing of hydrogen energy within nickel clusters structures. The comparison between the bond lengths for both clusters shows the expansion effect of clusters geometry which due to hydrogen presence.

Keywords: binding energies, bond lengths, density functional theoretical, geometry optimization, hydrogen energy, nickel cluster

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Authors: E. Dehghan, R. Dehghan

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Generally, the slender structural walls have flexural behavior. Since behavior of bending members can be explained by moment–curvature relation, therefore, an analytical model is proposed based on moment–curvature relation for slender structural walls. The moment–curvature relationships of RC sections are constructed through section analysis. Governing equations describing the bond-slip behavior in walls are derived and applied to moment–curvature relations. For the purpose of removing the imprecision in analytical results, the plastic hinge length is included in the finite element modeling. Finally, correlation studies between analytical and experimental results are conducted with the objective to establish the validity of the proposed algorithms. The results show that bond-slip effect is more significant in walls subjected to larger axial compression load. Moreover, preferable results are obtained when ultimate strain of concrete is assumed conservatively.

Keywords: nonlinear analysis, slender structural walls, moment-curvature relation, bond-slip, plastic hinge length

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Authors: Dr., Suchita Daokar

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Background: Successful orthodontic treatment has always relied on anchorage. The stability of the implants depends on bone quantity, mini-implant design, and placement conditions. Out of the various methods of gaining stability, Platelet concentrations are gaining popularity for various reasons. PRF is a minimally invasive method, and there are various studies that has shown its role in enhancing the stability of general implants. However, there is no literature found regarding the effect of PRF in enhancing the stability of the orthodontic implant. Therefore, this study aimed to evaluate and assess the efficacy of PRF on the stability of the orthodontic implant. Methods: The study comprised of 9 subjects aged above 18 years of age. The split mouth technique was used; Group A (where implants were coated before insertion) and group B (implant were normally inserted). The stability of the implant was measured using resonance frequency analysis at insertion (T0), 24 hours (T1), 2 weeks (T2), at 4 weeks (T3), at 6 weeks (T4), and 8 weeks (T5) after insertion. Result: Statistically significant findings were found when group A was compared to group B using ANOVA test (p<0.05). The stability of the implant of group A at each time interval was greater than group B. The implant stability was high at T0 and reduces at T2, and increasing through T3 to T5. The stability was highest at T5. Conclusion: A chairside, minimally invasive procedure ofPRF coating on implants have shown promising results in improving the stability of orthodontic implants and providing scope for future studies.

Keywords: Orthodontic implants, stablity, resonance Frequency Analysis, pre

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Authors: Arnold M. Brener, Lesbek Tashimov, Ablakim S. Muratov

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The paper deals with the special model for coagulation kernels which represents new control parameters in the Smoluchowski equation for binary aggregation. On the base of the model the new approach to evaluating aggregative stability of disperse systems has been submitted. With the help of this approach the simple estimates for aggregative stability of various types of hydrophilic nano-suspensions have been obtained.

Keywords: aggregative stability, coagulation kernels, disperse systems, mathematical model

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Authors: Burak Yildirim, Muhsin Tunay Gencoglu

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This publication shows the effects of Microgrid (MG) integration on the power systems oscillating stability. Generated MG model power systems were applied to the IEEE 14 bus test system which is widely used in stability studies. Stability studies were carried out with the help of eigenvalue analysis over linearized system models. In addition, Hopf bifurcation point detection was performed to show the effect of MGs on the system loadability margin. In the study results, it is seen that MGs affect system stability positively by increasing system loadability margin and has a damper effect on the critical modes of the system and the electromechanical local modes, but they make the damping amount of the electromechanical interarea modes reduce.

Keywords: Eigenvalue analysis, microgrid, Hopf bifurcation, oscillatory stability

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Authors: Gurleen Kour, Mowkshi Khullar, B. K. Chandan, Parvinder Pal Singh, Kushalava Reddy Yumpalla, Gurunadham Munagala, Ram A. Vishwakarma, Zabeer Ahmed

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New chemotherapeutic compounds against multidrug-resistant Mycobacterium tuberculosis (Mtb) are urgently needed to combat drug resistance in tuberculosis (TB). Apart from in-vitro potency against the target, physiochemical properties and pharmacokinetic properties play an imperative role in the process of drug discovery. We have identified novel nitroimidazole derivatives with potential activity against mycobacterium tuberculosis. One lead candidates, MCD-017, which showed potent activity against H37Rv strain (MIC=0.5µg/ml) and was further evaluated in the process of drug development. Methods: Basic physicochemical parameters like solubility and lipophilicity (LogP) were evaluated. Thermodynamic solubility was determined in PBS buffer (pH 7.4) using LC/MS-MS. The partition coefficient (Log P) of the compound was determined between octanol and phosphate buffered saline (PBS at pH 7.4) at 25°C by the microscale shake flask method. The compound followed Lipinski’s rule of five, which is predictive of good oral bioavailability and was further evaluated for metabolic stability. In-vitro metabolic stability was determined in rat liver microsomes. The hepatotoxicity of the compound was also determined in HepG2 cell line. In vivo pharmacokinetic profile of the compound after oral dosing was also obtained using balb/c mice. Results: The compound exhibited favorable solubility and lipophilicity. The physical and chemical properties of the compound were made use of as the first determination of drug-like properties. The compound obeyed Lipinski’s rule of five, with molecular weight < 500, number of hydrogen bond donors (HBD) < 5 and number of hydrogen bond acceptors(HBA) not more then 10. The log P of the compound was less than 5 and therefore the compound is predictive of exhibiting good absorption and permeation. Pooled rat liver microsomes were prepared from rat liver homogenate for measuring the metabolic stability. 99% of the compound was not metabolized and remained intact. The compound did not exhibit cytoxicity in hepG2 cells upto 40 µg/ml. The compound revealed good pharmacokinetic profile at a dose of 5mg/kg administered orally with a half life (t1/2) of 1.15 hours, Cmax of 642ng/ml, clearance of 4.84 ml/min/kg and a volume of distribution of 8.05 l/kg. Conclusion : The emergence of multi drug resistance (MDR) and extensively drug resistant (XDR) Tuberculosis emphasize the requirement of novel drugs active against tuberculosis. Thus, the need to evaluate physicochemical and pharmacokinetic properties in the early stages of drug discovery is required to reduce the attrition associated with poor drug exposure. In summary, it can be concluded that MCD-017 may be considered a good candidate for further preclinical and clinical evaluations.

Keywords: mycobacterium tuberculosis, pharmacokinetics, physicochemical properties, hepatotoxicity

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Authors: Sabir Messalti, Ahmed Gherbi, Ahmed Bouchlaghem

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This paper presents comparative study for power systems transient stability improvement using three FACTS devices: the SVC(Static Var Compensator), the Thyristor Control Breaking Resistor (TCBR) and superconducting fault current limiter (SFCL)The transient stability is assessed by the criterion of relative rotor angles. Critical Clearing Time (CCT) is used as an index for evaluated transient stability. The present study is tested on the WSCC3 nine-bus system in the case of three-phase short circuit fault on one transmission line.

Keywords: SVC, TCBR, SFCL, power systems transient stability improvement

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Authors: M. J. Park, S. H. Lee, C. H. Lee, O. M. Kwon

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This paper investigates stability problem for linear systems of neutral type with time-varying delay. By constructing various Lyapunov-Krasovskii functional, and utilizing some mathematical techniques, the sufficient stability conditions for the systems are established in terms of linear matrix inequalities (LMIs), which can be easily solved by various effective optimization algorithms. Finally, some illustrative examples are given to show the effectiveness of the proposed criterion.

Keywords: neutral systems, time-delay, stability, Lyapnov method, LMI

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Authors: Muhammad S. El-Feky, Mohamed I. Serag, Ahmed M. Yasien, Hala Elkady

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Reinforced concrete requires steel bars in order to provide the tensile strength that is needed in structural concrete. However, when steel bars corrode, a loss in bond between the concrete and the steel bars occurs due to the formation of rust on the bars surface. Permeability of concrete is a fundamental property in perspective of the durability of concrete as it represents the ease with which water or other fluids can move through concrete, subsequently transporting corrosive agents. Nanotechnology is a standout amongst active research zones that envelops varies disciplines including construction materials. The application of nanotechnology in the corrosion protection of metal has lately gained momentum as nano scale particles have ultimate physical, chemical and physicochemical properties, which may enhance the corrosion protection in comparison to large size materials. The presented research aims to study the bond performance of concrete containing relatively high volume nano silica (up to 4.5%) exposed to corrosive conditions. This was extensively studied through tensile, bond strengths as well as the permeability of nano silica concrete. In addition micro-structural analysis was performed in order to evaluate the effect of nano silica on the properties of concrete at both; the micro and nano levels. The results revealed that by the addition of nano silica, the permeability of concrete mixes decreased significantly to reach about 50% of the control mix by the addition of 4.5% nano silica. As for the corrosion resistance, the nano silica concrete is comparatively higher resistance than ordinary concrete. Increasing Nano Silica percentage increased significantly the critical time corresponding to a metal loss (equal to 50 ϻm) which usually corresponding to the first concrete cracking due to the corrosion of reinforcement to reach about 49 years instead of 40 years as for the normal concrete. Finally, increasing nano Silica percentage increased significantly the residual bond strength of concrete after being subjected to corrosive environment. After being subjected to corrosive environment, the pullout behavior was observed for the bars embedded in all of the mixes instead of the splitting behavior that was observed before being corroded. Adding 4.5% nano silica in concrete increased the residual bond strength to reach 79% instead of 27% only as compared to control mix (0%W) before the subjection of the corrosive environment. From the conducted study we can conclude that the Nano silica proved to be a significant pore blocker material.

Keywords: bond strength, concrete, corrosion resistance, nano silica, permeability

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Authors: Sudhakara Naidu Neppalli, Tejas S. Bhosale

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It is well known that the block copolymer (BCP) can form a complex molecule, through non-covalent bonds such as hydrogen bond, ionic bond and co-ordination bond, with low molecular weight compound as well as with macromolecules, which provide vast applications, includes the alteration of morphology and properties of polymers. Hence we covered the research that, the importance of non-covalent bonds in increasing the non-favourable segmental interactions of the blocks was well examined by attaching and detaching the bonds between the BCP and additive. We also monitored the phase transition of block copolymer and effective interaction parameter (χeff) for Li-doped polymers using small angle x-ray scattering and transmission electron microscopy. The effective interaction parameter (χeff) between two block components was evaluated using Leibler theory based on the incompressible random phase approximation (RPA) for ionized BCP in a disordered state. Furthermore, conductivity experiments demonstrate that the ionic conductivity in the samples quenched from the different structures is morphology-independent, while it increases with increasing ion salt concentration. Morphological transitions, interaction parameter, and thermal stability also examined in quarternized block copolymer. D-spacing was used to estimate effective interaction parameter (χeff) of block components in weak and strong segregation regimes of ordered phase. Metal-containing polymer has been the topic of great attention in recent years due to their wide range of potential application. Similarly, metal- ligand complex is used as a supramolecular linker between the polymers giving rise to a ‘Metallo-Supramolecule assembly. More precisely, functionalized polymer end capped with 2, 2’:6’, 2”- terpyridine ligand can be selectively complexed with wide range of transition metal ions and then subsequently attached to other terpyridine terminated polymer block. In compare to other supramolecular assembly, BCP involved metallo-supramolecule assembly offers vast applications such as optical activity, electrical conductivity, luminescence and photo refractivity.

Keywords: band gap, block copolymer, conductivity, interaction parameter, phase transition

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Authors: Athena Pedro, Carushca de Beer, Erin Cupido, Tarryn Johnson, Tawana Keneilwe, Crystal Stoffels, Carinne Annfred Lorraine Petersen, Kuan Michael Truskey

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The early experiences of children during their first 1000 days of life are the main determining factor of their development. Therefore, the aim of this study was to explore mothers' understanding of an attachment bond and the role that it plays in early childhood. A qualitative exploratory research design guided this study. Ethics approval was granted by appropriate ethics committees. Data were gathered through the use of semi-structured interviews with 15 participants within the Cape Town area, South Africa. Participants completed informed consents and were informed of confidentiality, anonymity, their rights, and voluntary participation. Thematically analysed data revealed that many participants were unaware of the term ‘the first 1000 days of a child’s life’; however, they were aware of the methods to be used for forming an attachment bond with their children. There is a need for more awareness on the subject matter within South Africa.

Keywords: awareness, children, first 1000 days, milestones, South Africa, understanding

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Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

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In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

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Authors: Micke Didit, Xiwen Zhang, Weidong Zhu

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Slope stability is one of the most important subjects of geotechnics. The slope top-loading plays a key role in the stability of slopes in hill slope areas. Therefore, it is of great importance to study the relationship between the load and the stability of the slope. This study aims to analyze the influence of the building load applied on the top of the slope and deduces its effect on the slope stability. For this purpose, a three-dimensional slope model under different building loads with different distances to the slope shoulder was established using the finite-difference analysis software Flac3D. The results show that the loads applied at different distances on the top of the slope have different effects on the slope stability. The slope factor of safety (fos) increases with the increase of the distance between the top-loading and the slope shoulder, resulting in the decrease of the coincidence area between the load-deformation and the potential sliding surface. The slope is no longer affected by the potential risk of sliding at approximately 20 m away from the slope shoulder.

Keywords: building load, finite-difference analysis, FLAC3D software, slope factor of safety, slope stability

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Authors: Taylor Brown

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The parent-child attachment bond begins early, often before the birth of the child. Both father and mother begin to form a bond with their child by selecting a name, preparing for the birth, etc. The biological mother carries the child and often breastfeeds the infant after birth. While fathers play an important role in caring for the child as well, the mother is traditionally seen as the caregiver with the primary role of caring for her baby. These core ideas could include how to form bonds, how to communicate emotions, and even how to create and maintain relationships. Mothers tend to shape their children’s minds based on their own. Studies have even shown that when mothers stroke their children’s bodies with their fingers, the child does calm down more than most other methods. The bond between mother and child is one that happens immediately and strengthens over time. This attachment affects the child’s overall development. The mother-child attachment style is directly linked to a multitude of patterns in adolescents, and later on, adults. The researcher believes that the subsequent patterns of communication in romantic relationships are included in the multitude. Awareness of these patterns and their effects could improve experiences in romantic relationships during young adulthood.

Keywords: emotion regulation, parenting, maternal, attachment, romantic

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Authors: Janne Engblom, Elias Oikarinen

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A panel dataset is one that follows a given sample of individuals over time, and thus provides multiple observations on each individual in the sample. Panel data models include a variety of fixed and random effects models which form a wide range of linear models. A special case of panel data models are dynamic in nature. A complication regarding a dynamic panel data model that includes the lagged dependent variable is endogeneity bias of estimates. Several approaches have been developed to account for this problem. In this paper, the panel models were estimated using the Arellano-Bover/Blundell-Bond Generalized method of moments (GMM) estimator which is an extension of the Arellano-Bond model where past values and different transformations of past values of the potentially problematic independent variable are used as instruments together with other instrumental variables. The Arellano–Bover/Blundell–Bond estimator augments Arellano–Bond by making an additional assumption that first differences of instrument variables are uncorrelated with the fixed effects. This allows the introduction of more instruments and can dramatically improve efficiency. It builds a system of two equations—the original equation and the transformed one—and is also known as system GMM. In this study, Finnish housing price dynamics were examined empirically by using the Arellano–Bover/Blundell–Bond estimation technique together with ordinary OLS. The aim of the analysis was to provide a comparison between conventional fixed-effects panel data models and dynamic panel data models. The Arellano–Bover/Blundell–Bond estimator is suitable for this analysis for a number of reasons: It is a general estimator designed for situations with 1) a linear functional relationship; 2) one left-hand-side variable that is dynamic, depending on its own past realizations; 3) independent variables that are not strictly exogenous, meaning they are correlated with past and possibly current realizations of the error; 4) fixed individual effects; and 5) heteroskedasticity and autocorrelation within individuals but not across them. Based on data of 14 Finnish cities over 1988-2012 differences of short-run housing price dynamics estimates were considerable when different models and instrumenting were used. Especially, the use of different instrumental variables caused variation of model estimates together with their statistical significance. This was particularly clear when comparing estimates of OLS with different dynamic panel data models. Estimates provided by dynamic panel data models were more in line with theory of housing price dynamics.

Keywords: dynamic model, fixed effects, panel data, price dynamics

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Authors: Yıldırım I. Tosun, Halim Cevizci, Hakan Ceylan

Abstract:

By GEO5 FEM program with four rockfill slope modeling and stability analysis was performed for S1, S2, S3 and S4 slopes where landslides of the shalefills were limited. Effective angle of internal friction (φ'°) 17°-22.5°, the effective cohesion (c') from 0.5 to 1.8 kPa, saturated unit weight 1.78-2.43 g/cm3, natural unit weight 1.9-2.35 g/cm3, dry unit weight 1.97-2.40 g/cm3, the permeability coefficient of 1x10-4 - 6.5x10-4 cm/s. In cross-sections of the slope, GEO 5 FEM program possible critical surface tension was examined. Rockfill dump design was made to prevent sliding slopes. Bulk material designated geotechnical properties using also GEO5 programs FEM and stability program via a safety factor determined and calculated according to the values S3 and S4 No. slopes are stable S1 and S2 No. slopes were close to stable state that has been found to be risk. GEO5 programs with limestone rock fill dump through FEM program was found to exhibit stability.

Keywords: slope stability, stability analysis, rockfills, sock stability

Procedia PDF Downloads 485

Authors: T. Zaki, Fathi S. Soliman

Abstract:

Desulfurization process is required by most, if not all refineries, to achieve ultra-low sulfur fuel, that contains less than 10 ppm sulfur. A lot of research works and many effective technologies have been studied to achieve deep desulfurization process in moderate reaction environment, such as adsorption desulfurization (ADS), oxidative desulfurization (ODS), biodesulfurization and extraction desulfurization (EDS). Extraction desulfurization using deep eutectic solvents (DESs) is considered as simple, cheap, highly efficient and environmentally friend process. In this work, four DESs were designed and synthesized. Choline chloride (ChCl) was selected as typical hydrogen bond acceptors (HBA), and ethylene glycol (EG), glycerol (Gl), urea (Ur) and thiourea (Tu) were selected as hydrogen bond donors (HBD), from which a series of deep eutectic solvents were synthesized. The experimental data showed that the synthesized DESs showed desulfurization affinities towards the thiophene species in cyclohexane solvent. Ethylene glycol molecules showed more affinity to create hydrogen bond with thiophene instead of choline chloride. Accordingly, ethylene glycol choline chloride DES has the highest extraction efficiency.

Keywords: DES, desulfurization, green solvent, extraction

Procedia PDF Downloads 288

Authors: A. Rezaei, M. Huisman, W. Van Paepegem

Abstract:

Atomic interactions in molecular systems are mainly studied by particle mechanics. Nevertheless, researches have also put on considerable effort to simulate them using continuum methods. In early 2000, simple equivalent finite element models have been developed to study the mechanical properties of carbon nanotubes and graphene in composite materials. Afterward, many researchers have employed similar structural simulation approaches to obtain mechanical properties of nanostructured materials, to simplify interface behavior of fiber-reinforced composites, and to simulate defects in carbon nanotubes or graphene sheets, etc. These structural approaches, however, are limited to small deformations due to complicated local rotational coordinates. This article proposes a method for the finite element simulation of molecular mechanics. For ease in addressing the approach, here it is called Structural Finite Element Molecular Modeling (SFEMM). SFEMM method improves the available structural approaches for large deformations, without using any rotational degrees of freedom. Moreover, the method simulates molecular conformation, which is a big advantage over the previous approaches. Technically, this method uses nonlinear multipoint constraints to simulate kinematics of the atomic multibody interactions. Only truss elements are employed, and the bond potentials are implemented through constitutive material models. Because the equilibrium bond- length, bond angles, and bond-torsion potential energies are intrinsic material parameters, the model is independent of initial strains or stresses. In this paper, the SFEMM method has been implemented in ABAQUS finite element software. The constraints and material behaviors are modeled through two Fortran subroutines. The method is verified for the bond-stretch, bond-angle and bond-torsion of carbon atoms. Furthermore, the capability of the method in the conformation simulation of molecular structures is demonstrated via a case study of a graphene sheet. Briefly, SFEMM builds up a framework that offers more flexible features over the conventional molecular finite element models, serving the structural relaxation modeling and large deformations without incorporating local rotational degrees of freedom. Potentially, the method is a big step towards comprehensive molecular modeling with finite element technique, and thereby concurrently coupling an atomistic domain to a solid continuum domain within a single finite element platform.

Keywords: finite element, large deformation, molecular mechanics, structural method

Procedia PDF Downloads 152

Authors: Jui-Ting Hsu, Heng-Li Huang, Ming-Tzu Tsai, Kuo-Chih Su, Lih-Jyh Fuh

Abstract:

The objectives of this study were to measure the initial stability of the dental implant (ISQ and PTV) in the artificial foam bone block with three different quality levels. In addition, the 3D bone to implant contact percentage (BIC%) was measured based on the micro-computed tomography images. Furthermore, the relation between the initial stability of dental implant (ISQ and PTV) and BIC% were calculated. The experimental results indicated that enhanced the material property of the artificial foam bone increased the initial stability of the dental implant. The Pearson’s correlation coefficient between the BIC% and the two approaches (ISQ and PTV) were 0.652 and 0.745.

Keywords: dental implant, implant stability quotient, peak insertion torque, bone-implant contact, micro-computed tomography

Procedia PDF Downloads 580