Search results for: localized corrosion

Authors: Eric A. Morris, Xia Liu, Yee Ka Wong, Greg J. Evans, Jeff R. Brook

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Air quality monitoring stations tend to be widely distributed and are often located far from major roadways, thus, determining where, when, and which traffic-related air pollutants (TRAPs) have the greatest impact on public health becomes a matter of extrapolation. Compact, multipollutant sensor systems are an effective solution as they enable several TRAPs to be monitored in a geospatially dense network, thus filling in the gaps between conventional monitoring stations. This work describes two applications of one such system named AirSENCE for gathering actionable air quality data relevant to smart city infrastructures. In the first application, four AirSENCE devices were co-located with traffic monitors around the perimeter of a city block in Oshawa, Ontario. This study, which coincided with the COVID-19 outbreak of 2020 and subsequent lockdown measures, demonstrated a direct relationship between decreased traffic volumes and TRAP concentrations. Conversely, road construction was observed to cause elevated TRAP levels while reducing traffic volumes, illustrating that conventional smart city sensors such as traffic counters provide inadequate data for inferring air quality conditions. The second application used two AirSENCE sensors on opposite sides of a major 2-way commuter road in Toronto. Clear correlations of TRAP concentrations with wind direction were observed, which shows that impacted areas are not necessarily static and may exhibit high day-to-day variability in air quality conditions despite consistent traffic volumes. Both of these applications provide compelling evidence favouring the inclusion of air quality sensors in current and future smart city infrastructure planning. Such sensors provide direct measurements that are useful for public health alerting as well as decision-making for projects involving traffic mitigation, heavy construction, and urban renewal efforts.

Keywords: distributed sensor network, continuous ambient air quality monitoring, Smart city sensors, Internet of Things, traffic-related air pollutants

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Authors: David Serero, Loic Couton, Jean-Denis Parisse, Robert Leroy

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This paper presents an analysis method of airflow at the periphery of several typologies of architectural volumes. To understand the complexity of the urban environment on the airflows in the city, we compared three sites at different architectural scale. The research sets a method to identify the optimal location for the installation of wind turbines on the edges of a building and to achieve an improvement in the performance of energy extracted by precise localization of an accelerating wing called “aero foil”. The objective is to define principles for the installation of wind turbines and natural ventilation design of buildings. Instead of theoretical winds analysis, we combined numerical aeraulic simulations using STAR CCM + software with wind data, over long periods of time (greater than 1 year). If airflows computer fluid analysis (CFD) simulation of buildings are current, we have calibrated a virtual wind tunnel with wind data using in situ anemometers (to establish localized cartography of urban winds). We can then develop a complete volumetric model of the behavior of the wind on a roof area, or an entire urban island. With this method, we can categorize: - the different types of wind in urban areas and identify the minimum and maximum wind spectrum, - select the type of harvesting devices - fixing to the roof of a building, - the altimetry of the device in relation to the levels of the roofs - The potential nuisances around. This study is carried out from the recovery of a geolocated data flow, and the connection of this information with the technical specifications of wind turbines, their energy performance and their speed of engagement. Thanks to this method, we can thus define the characteristics of wind turbines to maximize their performance in urban sites and in a turbulent airflow regime. We also study the installation of a wind accelerator associated with buildings. The “aerofoils which are integrated are improvement to control the speed of the air, to orientate it on the wind turbine, to accelerate it and to hide, thanks to its profile, the device on the roof of the building.

Keywords: wind energy harvesting, wind turbine selection, urban wind potential analysis, CFD simulation for architectural design

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Authors: M. Abdoos, A. Amadeh, M. Adabi

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In recent decades, the use of titanium and its alloys due to their high mechanical properties, light weight and their corrosion resistance has increased in military and industry applications. However, the poor surface properties can limit their widely usage. Many researches were carried out to improve their surface properties. The most effective technique is based on solid-state diffusion of elements that can form intermetallic compounds with the substrate. In the present work, inter-diffusion of nickel and titanium and formation of Ni-Ti intermetallic compounds in nickel-coated Ti-6Al-4V alloy have been studied. Initially, nickel was electrodeposited on the alloy using Watts bath at a current density of 20 mA/cm2 for 1 hour. The coated specimens were then heat treated in a tubular furnace under argon atmosphere at different temperatures near Ti β-transus to maximize the diffusion rate for various durations in order to improve the surface properties of the Ti-6Al-4V alloy. The effect of temperature and time on the thickness of diffusion layer and characteristics of intermetallic phases was studied by means of scanning electron microscope (SEM) equipped with energy dispersive X-ray spectrometer (EDS) and microhardness test. The results showed that a multilayer structure was formed after heat treatment: an outer layer of remaining nickel, an area of intermetallic layers with different compositions and solid solution of Ni-Ti. Three intermetallic layers was detected by EDS analysis, namely an outer layer with about 75 at.% Ni (Ni3Ti), an intermediate layer with 50 at.% Ni (NiTi) and finally an inner layer with 36 at.% Ni (NiTi2). It was also observed that the increase in time or temperature led to the formation of thicker intermetallic layers. Meanwhile, the microhardness of heat treated samples increased with formation of Ni-Ti intermetallics; however, its value depended on heat treatment parameters.

Keywords: heat treatment, microhardness, Ni coating, Ti-6Al-4V

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Authors: P. Abachi, T. W. Coyle, P. S. Musavi Gharavi

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By applying coating onto a structural component, the corrosion and/or wear resistance requirements of the surface can be fulfilled. Since the layer adhesion of the coating influences the mechanical integrity of the coat/substrate interface during the service time, it should be examined accurately. At the present work, the tensile bonding strength of the 316 stainless steel plasma sprayed coating on aluminum substrate was determined by using tensile adhesion test, TAT, specimen. The interfacial fracture toughness was specified using four-point bend specimen containing a saw notch and modified chevron-notched short-bar (SB) specimen. The coating microstructure and fractured specimen surface were examined by using scanning electron- and optical-microscopy. The investigation of coated surface after tensile adhesion test indicates that the failure mechanism is mostly cohesive and rarely adhesive type. The calculated value of critical strain energy release rate proposes relatively good interface status. It seems that four-point bending test offers a potentially more sensitive means for evaluation of mechanical integrity of coating/substrate interfaces than is possible with the tensile test. The fracture toughness value reported for the modified chevron-notched short-bar specimen testing cannot be taken as absolute value because its calculation is based on the minimum stress intensity coefficient value which has been suggested for the fracture toughness determination of homogeneous parts in the ASTM E1304-97 standard. 

Keywords: bonding strength, four-point bend test, interfacial fracture toughness, modified chevron-notched short-bar specimen, plasma sprayed coating, tensile adhesion test

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Authors: Reza Soleimanpour, Ching Tai Ng

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Fibre-composites are widely used in various structures due to their attractive properties such as higher stiffness to mass ratio and better corrosion resistance compared to metallic materials. However, one serious weakness of this composite material is delamination, which is a subsurface separation of laminae. A low level of this barely visible damage can cause a significant reduction in residual compressive strength. In the last decade, the application of guided waves for damage detection has been a topic of significant interest for many researches. Among all guided wave techniques, nonlinear guided wave has shown outstanding sensitivity and capability for detecting different types of damages, e.g. cracks and delaminations. So far, most of researches on applications of nonlinear guided wave have been dedicated to isotropic material, such as aluminium and steel, while only a few works have been done on applications of nonlinear characteristics of guided waves in anisotropic materials. This study investigates the nonlinear interactions of the fundamental antisymmetric lamb wave (A0) with delamination in composite laminates using three-dimensional (3D) explicit finite element (FE) simulations. The nonlinearity considered in this study arises from interactions of two interfaces of sub-laminates at the delamination region, which generates contact acoustic nonlinearity (CAN). The aim of this research is to investigate the phenomena of CAN in composite laminated beams by a series of numerical case studies. In this study interaction of fundamental antisymmetric lamb wave with delamination of different sizes are studied in detail. The results show that the A0 lamb wave interacts with the delaminations generating CAN in the form of higher harmonics, which is a good indicator for determining the existence of delaminations in composite laminates.

Keywords: contact acoustic nonlinearity, delamination, fibre reinforced composite beam, finite element, nonlinear guided waves

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Authors: Kruttika Bhuse

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Aim: Synergism between periodontists and orthodontists (periodontal accelerated osteogenic orthodontics- PAOO) creates crucial opportunities to enhance clinical outcomes of combined therapies regarding both disciplines and has made adult orthodontics a reality. Thus, understanding the biomechanics of bone remodelling may increase the clinical applications of corticotomy facilitated orthodontics with or without alveolar augmentation. Wilckodontics can be an attractive treatment option and be a “win-win” situation for both the dental surgeon and patient by reducing the orthodontic treatment time in adults. Materials and methods: In this review, data related to the clinical aspects, steps of procedure, biomechanics of bone, indications and contraindications and final outcome of wilckodontic shall be discussed. 50 supporting articles from various international journals and 70 clinical cases were reviewed to get a better understanding to design this wilckodontic - meta analysis. Various journals like the Journal Of Clinical And Diagnostic Research, Journal Of Indian Society Of Periodontology, Journal Of Periodontology, Pubmed, Boston Orthodontic University Journal, Good Practice Orthodontics Volume 2, have been referred to attain valuable information on wilckodontics which was then compiled in this single review study. Result: As a promising adjuvant technique based on the transient nature of demineralization-remineralisation process in healthy tissues, wilckodontics consists of regional acceleratory phenomenon by alveolar corticotomy and bone grafting of labial and palatal/lingual surfaces, followed by orthodontic force. The surgical wounding of alveolar bone potentiates tissue reorganization and healing by a way of transient burst of localized hard and soft tissue remodelling.This phenomenon causes bone healing to occur 10-50 times faster than normal bone turnover. Conclusion: This meta analysis helps understanding that the biomechanics of bone remodelling may increase the clinical applications of corticotomy facilitated orthodontics with or without alveolar augmentation. The main benefits being reduced orthodontic treatment time, increased bone volume and post-orthodontic stability.

Keywords: periodontal osteogenic accelerated orthodontics, alveolar corticotomy, bone augmentation, win-win situation

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Authors: L. K. Nivedha, V. Maruthapandian, R. Kothandaraman

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Rechargeable zinc-air batteries (ZAB) are gaining significant research attention owing to their high energy density and copious zinc resources worldwide. However, the unsolved obstacles such as dendrites, passivation, depth of discharge and the lack of an efficient cathode catalyst restrict their practical application1. By and large, non-noble transition metal-based catalysts are well-reputed materials for catalysing oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with greater stability in alkaline medium2. Herein, we report the synthesis and application of Mn₃O4-NiFeLDH/Carbon composite as a cathode catalyst for rechargeable ZAB. The synergetic effects of the mixed transition metals (Mn/Ni/Fe) have aided in catalysing ORR and OER in alkaline electrolyte with a shallow potential gap of 0.7 V. The composite, by its distinctive physicochemical characteristics, shows an excellent OER activity with a current density of 1.5 mA cm⁻² at a potential of 1.6 V and a superior ORR activity with an onset potential of 0.8 V when compared with their counterparts. Nevertheless, the catalyst prefers a two-electron pathway for the electrochemical reduction of oxygen which results in a limiting current density of 2.5 mA cm⁻². The bifunctional activity of the Mn₃O₄-NiFeLDH/Carbon composite was utilized in developing rechargeable ZAB. The fully fabricated ZAB delivers an open circuit voltage of 1.4 V, a peak power density of 70 mW cm⁻², and a specific capacity of 800 mAh g⁻¹ at a current density of 20 mA cm⁻² with an average discharge voltage of 1 V and the cell is operable upto 50 mA cm-2. Rechargeable ZAB demonstrated over 110 h at 10 mA cm⁻². Further, the cause for the diminished charge-discharge performance experienced beyond the 100th cycle was investigated, and carbon corrosion was testified using Infrared spectroscopy.

Keywords: rechargeable zinc-air battery, oxygen evolution reaction, bifunctional catalyst, alkaline medium

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Authors: Aptullah Karakas, Murat Baydogan

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Hot-dip aluminizing (HDA) is one of the several aluminizing methods to form a wear-, corrosion- and oxidation-resistant aluminide layers on the surface. In this method, the substrate is dipped into a molten aluminum bath, hold in the bath for several minutes, and cooled down to the room temperature in air. A subsequent annealing after the HDA process is generally performed. The main advantage of HDA is its very low investment cost in comparison with other aluminizing methods such as chemical vapor deposition (CVD), pack aluminizing and metalizing. In the HDA process, Al or Al-Si molten baths are mostly used. However, in this study, three different Al alloys such as Al4043 (Al-Mg), Al5356 (Al-Si) and Al7020 (Al-Zn) were used as the molten bath in order to see their effects on morphological and mechanical properties of the resulting aluminide layers. AISI 4140 low alloyed steel was used as the substrate. Parameters of the HDA process were bath composition, bath temperature, and dipping time. These parameters were considered within a Taguchi L9 orthogonal array. After the HDA process and subsequent diffusion annealing, coating thickness measurement, microstructural analysis and hardness measurement of the aluminide layers were conducted. The optimum process parameters were evaluated according to coating morphology, such as cracks, Kirkendall porosity and hardness of the coatings. According to the results, smooth and clean aluminide layer with less Kirkendall porosity and cracks were observed on the sample, which was aluminized in the molten Al7020 bath at 700 C for 10 minutes and subsequently diffusion annealed at 750 C. Hardness of the aluminide layer was in between 1100-1300 HV and the coating thickness was approximately 400 µm. The results were promising such that a hard and thick aluminide layer with less Kirkendall porosity and cracks could be formed. It is, therefore, concluded that Al7020 bath may be used in the HDA process of AISI 4140 steel substrate.

Keywords: hot-dip aluminizing, microstructure, hardness measurement, diffusion annealing

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Authors: Mohammad Derakhshani, Saeed Reza Allahkaram, Michael Isakani-Zakaria, Masoud Samadian, Hojat Sharifi Rasaey

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Dynamic stray currents tend to change their magnitude and polarity with time at their source which will create anodic and cathodic spots on a nearby interfered structure. To date, one of the biggest known dynamic stray current sources are DC traction systems. Laboratory simulation is a suitable method to apply theoretical principles in order to identify effective parameters in dynamic stray current influenced corrosion. Simulation techniques can be utilized for various mitigation methods applied in a small scales for selection of the most efficient method with regards to field applications. In this research, laboratory simulation of potential fluctuations caused by dynamic stray current on a cathodically protected structure was investigated. A lab model capable of generating DC static and dynamic stray currents and simulating its effects on cathodically protected samples were developed based on stray current induced (contact-less) polarization technique. Stray current pick-up and discharge spots on an influenced structure were simulated by inducing fluctuations in the sample’s stationary potential. Two mitigation methods for dynamic stray current interference on buried structures namely application of sacrificial anodes as preferred discharge point for the stray current and potentially controlled cathodic protection was investigated. Results showed that the application of sacrificial anodes can be effective in reducing interference only in discharge spot. But cathodic protection through potential controlling is more suitable for mitigating dynamic stray current effects.

Keywords: simulation, dynamic stray current, fluctuating potentials, sacrificial anode

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Authors: P. Leo, E. Cerri, L. Fratini, G. Buffa

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The Friction Stir Welding process uses an inert rotating mandrel and a force on the mandrel normal to the plane of the sheets to generate the frictional heat. The heat and the stirring action of the mandrel create a bond between the two sheets without melting the base metal. As matter of fact, the use of a solid state welding process limits the insurgence of defects, due to the presence of gas in melting bath, and avoids the negative effects of materials metallurgical transformation strictly connected with the change of phase. The industrial importance of Ti-6Al-4V alloy is well known. It provides an exceptional good balance of strength, ductility, fatigue and fracture properties together with good corrosion resistance and good metallurgical stability. In this paper, the authors analyze the microstructure of friction stir welded joints of Ti-6Al-4V processed at the same travel speed (35 mm/min) but at different rotation speeds (300-500 rpm). The microstructure of base material (BM), as result from both optical microscope and scanning electron microscope analysis is not homogenous. It is characterized by distorted α/β lamellar microstructure together with smashed zone of fragmented β layer and β retained grain boundary phase. The BM has been welded in the-as received state, without any previous heat treatment. Even the microstructure of the transverse and longitudinal sections of joints is not homogeneous. Close to the top of weld cross sections a much finer microstructure than the initial condition has been observed, while in the center of the joints the microstructure is less refined. Along longitudinal sections, the microstructure is characterized by equiaxed grains and lamellae. Both the length and area fraction of lamellas increases with distance from longitudinal axis. The hardness of joints is higher than that of BM. As the process temperature increases the average microhardness slightly decreases.

Keywords: friction stir welding, microhardness, microstructure, Ti-6Al-4V

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Authors: Natalia Moreno-Castellanos, Amaia Rodriguez, Gema Frühbeck

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Introduction: In adipocytes, the cytoskeleton undergoes important expression and distribution in adipocytes rearrangements during adipogenesis and in obesity. Indeed, a role for these proteins in the regulation of adipocyte differentiation and response to insulin has been demonstrated. Recently, septins have been considered as new components of the cytoskeletal network that interact with other cytoskeletal elements (actin and tubulin) profoundly modifying their dynamics. However, these proteins have not been characterized as yet in adipose tissue. In this work, were examined the cellular, molecular and functional features of a member of this family, septin 11 (SEPT11), in adipocytes and evaluated the impact of obesity on the expression of this protein in human adipose tissue. Methods: Adipose gene and protein expression levels of SEPT11 were analysed in human samples. SEPT11 distribution was evaluated by immunocytochemistry, electronic microscopy, and subcellular fractionation techniques. GST-pull down, immunoprecipitation and a Yeast-Two Hybrid (Y2H) screening were used to identify the SEPT11 interactome. Gene silencing was employed to assess the role of SEPT11 in the regulation of insulin signaling and lipid metabolism in adipocytes. Results: SEPT11 is expressed in human adipocytes, and its levels increased in both omental and subcutaneous adipose tissue in obesity, with SEPT11 mRNA content positively correlating with parameters of insulin resistance in subcutaneous fat. In non-stimulated adipocytes, SEPT11 immunoreactivity showed a ring-like distribution at the cell surface and associated to caveolae. Biochemical analyses showed that SEPT11 interacted with the main component of caveolae, caveolin-1 (CAV1) as well as with the fatty acid-binding protein, FABP5. Notably, the three proteins redistributed and co-localized at the surface of lipid droplets upon exposure of adipocytes to oleate. In this line, SEPT11 silencing in 3T3-L1 adipocytes impaired insulin signaling and decreased insulin-induced lipogenesis. Conclusions: Those findings demonstrate that SEPT11 is a novel component of the adipocyte cytoskeleton that plays an important role in the regulation of lipid traffic, metabolism and can thus represent a potential biomarker of insulin resistance in obesity in adipocytes through its interaction with both CAV1 and FABP5.

Keywords: caveolae, lipid metabolism, obesity, septins

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Authors: Ayda Youssef, Tarek Rafaat, Iman zaky

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Purpose: Langerhans’ cell histiocytosis (LCH) is not uncommon pathology that implies aberrant proliferation of a specific dendritic (Langerhans) cell. These atypical but mature cells of monoclonal origin can infiltrate many sites of the body and may occur as localized lesions or as widespread systemic disease. Liver is one of the uncommon sites of affection. The twofold objective of this study is to illustrate the radiological presentation of this disease, and to compare these results with previously reported series. Methods and Materials: Between 2007 and 2012, 150 patients with biopsy-proven LCH were treated in our hospital, a paediatric cancer tertiary care center. A retrospective review of radiographic images and reports was performed. There were 33 patients with liver affection are stratified. All patients underwent imaging studies, mostly US and CT. A chart review was performed to obtain demographic, clinical and radiological data. They were analyzed and compared to other published series. Results: Retrospective assessment of 150 patients with LCH was performed, among them 33 patients were identified who had liver involvement. All these patients developed multisystemic disease; They were 12 females and 21 males with (n= 32), seven of them had marked hepatomegaly. Diffuse hypodense liver parenchyma was encountered in five cases, the periportal location has a certain predilection in cases of focal affection where three cases has a hypodense periportal soft tissue sheets, one of them associated with dilated biliary radicals, only one case has multiple focal lesions unrelated to portal tracts. On follow up of the patients, two cases show abnormal morphology of liver with bossy outline. Conclusion: LCH is a not infrequent disease. A high-index suspicion should be raised in the context of diagnosis of liver affection. A biopsy is recommended in the presence of radiological suspicion. Chemotherapy is the preferred therapeutic modality. Liver histiocytosis are not disease specific features but should be interpreted in conjunction with the clinical history and the results of biopsy. Clinical Relevance/Application: Radiologist should be aware of different patterns of hepatobiliary histiocytosis, Thus early diagnosis and proper management of patient can be conducted.

Keywords: langerhans’ cell histiocytosis, liver, medical and health sciences, radiology

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Authors: Mohammad Ebrahim Kianifar, Ehsan Ahmadi

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Reinforced concrete structures experience local defects such as cracks over their lifetime under various environmental loadings. Consequently, they are repaired by mortars to avoid detrimental effects such as corrosion of reinforcement, which in long-term may lead to strength loss of a member or collapse of structures. However, repaired structures may need multiple repairs due to changes in load distribution, and thus, lack of compatibility between mortar and substrate concrete. On the other hand, waste tire rubber alkali-activated (WTRAA)-based materials have very high potential to be used as repair mortars because of their ductility and flexibility, which may delay the failure of repair mortar and thus, provide sufficient compatibility. Hence, this work presents a pioneering study on suitability of WTRAA-based materials as mortars for the repair of concrete structures through an experimental program. To this end, WTRAA mortars with 15% aggregate replacement, alkali-activated (AA) mortars, and ordinary mortars are made to repair a number of concrete beams. The WTRAA mortars are composed of slag as base material, sodium hydroxide as an alkaline activator, and different gradations of waste tire rubber (fine and coarse gradations). Flexural tests are conducted on the concrete beams repaired by the ordinary, AA, and WTRAA mortars. It is found that, despite having lower compressive strength and modulus of elasticity, the WTRAA and AA mortars increase the flexural strength of the repaired beams, give compatible failures, and provide sufficient mortar-concrete interface bondings. The ordinary mortars, however, show incompatible failure modes. This study demonstrates the promising application of WTRAA mortars in the practical repairs of concrete structures.

Keywords: alkali-activated mortars, concrete repair, mortar compatibility, flexural strength, waste tire rubber

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Authors: M.S. El-Feky, Passant Youssef, Mohamed I. Serag

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nowadays, nanotechnology is the main trend of research in different areas due to the new potential of using nanometer materials sized less than 100nm. Nanomaterials are needed in cement composites to act as bridging for Nano and micro-cracks to increase tensile strength, reduce the permeability of gases and water in concrete to solve corrosion problem, react with excess Calcium Hydroxide, produce additional C-S-H, act as filler materials to densify the cement matrix and increase its mechanical properties. The present study focuses on the effectiveness of super-plasticizers and ultrasonic processing on the dispersion of Carbon Nanotube at first in water and then in cement composites in combination with Nano silica to enhance the mechanical properties of cement composites. A qualitative analysis using a compressive strength test is conducted with a view to investigate the influence of different dispersion techniques on the mechanical properties of cement composites containing Carbon Nanotube (CNT) and Nano Silica (NS) particles with different percentages. In addition, micro-structural analysis was carried out to understand the surface morphology and microstructure of cement composites with different dosages of NS addition. The investigational study results showed that the combination of NS with a low amount of CNT had a positive effect on the hydration reaction; on the other hand, the combination of CNT and a high amount of NS had a negative effect on the hydration reaction. The compressive strength can be improved by optimum combination 0.02% CNT and 1% NS with gain in strength by 72% and 35% after 7 and 28 days compared to control samples; these results were with an agreement with the morphology structure of composites using microstructure analysis.

Keywords: nano silica, dispersion, sonication, carbon nano tubes

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Authors: Ping Zhou, Dawu Xiao, Chunli Jiang, Ge Sang

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Deformation twinning plays an important role in the mechanical properties of Ti which has high specific strength and excellent corrosion resistance ability. To investigate the twinning behavior of Ti under high strain rate compression, the split Hopkinson pressure bar (SHPB) was adopted to deform samples to different strains at room temperature. In addition, twinning behaviors under varied temperatures of 373K, 573K and 873K were also investigated. The cylindrical-shaped samples with purity 99.995% were annealed at 1073K for 1 hour in vacuum before compression. All the deformation twins were identified by electron backscatter diffraction (EBSD) techniques. The mechanical behavior showed three-stage work hardening in stress-strain curves for samples deformed at temperature 573K and 873K, while only two stages were observed for those deformed at room temperature. For samples compressed at room temperature, the predominant twin types are {10-12}<10-11> (E1), {11-21}<11-26> (E2) and {11-21}<11-23> (C1). The secondary and tertiary twinning was observed inside some E1, E2 and C1 twins. Most of the twin boundaries of E2 acted as the nucleate sites of E1. The densities of twins increase remarkably with increment of strains. For samples compressed at relatively higher temperatures, the migration of twin boundaries of E1, E2 and C1 was observed. All the twin lamellas shorten with temperature, and nearly disappeared at 873K except some remaining E1 twins. Polygonizations of grain boundaries were observed above 573K. The microstructure intended to have a texture with c-axes parallel to compression direction with temperature increment. Factors affecting the dynamic recovery and re-crystallization were discussed.

Keywords: deformation twins, EBSD, mechanical behavior, high strain rate, titanium

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Authors: Khaled M. Khader, Mamdouh I. Elimy

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Reducing energy consumption became the major concern for all countries of the world during the recent decades. In general, power saving is currently the nominal goal of most industrial countries. It is well known that fossil fuels are the main pillar of development of world countries. Unfortunately, the increased rate of fossil fuel consumption will lead to serious problems caused by an expected depletion of fuels. Moreover, dangerous gases and vapors emission lead to severe environmental problems during fuel burning. Consequently, most engineering sectors especially the mechanical sectors are looking for improving any machine accompanied by reducing its energy consumption. Crank-Rocker planar mechanism is the most applied in mechanical systems. Besides, it is one of the most significant parts of the machines for obtaining the oscillatory motion. The transmission angle of this mechanism can be considered as an optimum value when its extreme values are equally varied around 90°. In addition, the transmission angle plays an important role in decreasing the required driving power and improving the dynamic properties of the mechanism. Hence, appropriate selection of mechanism links lengthens, which assures optimum transmission angle leads to decreasing the driving power. Moreover, mechanism's links manufactured from composite materials afford link's lightweight, which decreases the required driving torque. Furthermore, wear and corrosion problems can be treated through using composite links instead of using metal ones. This paper is dealing with improving the performance of crank-rocker mechanism using composite links due to their flexural elastic modulus values and stiffness in addition to high damping of composite materials.

Keywords: Composite Material, Crank-Rocker Mechanism, Transmission angle, Design techniques, Power Saving

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Authors: Sunil Kumar Ghosh

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Som plant (Machilus bombycina King) is an important plant in agroforestry system. It is cultivated in north -east part of India. It is cultivated in agricultural land by the marginal farmers for multi-storeyed cultivation with intercropping. Localized cottage industries are involved with this plant like sericulture industry (muga silk worm cultivation). Clothes are produced from this sericulture industry. Leaves of som plants are major food of muga silk worm ( Antherea assama ). Nutritional value of leaves plays an important role in the larval growth and silk productivity. The plant also has timber value. The plant is susceptible to mite pest (Tetranychus sp.) causes heavy damage to tender leaves. Lower population was recorded during 7th to 38th standard week, during 3rd week of February to 4th week of September and higher population was during 46th to 51st standard week, during 3rd week of November to 3rd week of December and peak population (6.06/3 leaves) was recorded on 46th standard week that is on 3rd week of November. Correlation studies revealed that mite population had a significant negative correlation with temperature and non-significant positive correlation with relative humidity. This indicates that activity of mites population increase with the rise of relative humidity and decrease with the rise of temperature. Tobacco leaf extracts was found most effective against mite providing 40.51% suppression, closely followed by extracts of Spilanthes (39.06% suppression). Extracts of Garlic and extracts of Polygonum plant gave moderate results, recording about 38.10% and 37.78% mite suppression respectively. The polygonum (Polygonum hydropiper) plant (floral parts), pongamia (Pongamia pinnata) leaves, garlic (Allium sativum), spilanthes (Spilanthes paniculata) (floral parts) were extracted in methanol. Synthetic insecticides contaminate plant leaves with the toxic chemicals. Plant extracts are of biological origin having low or no hazardous effect on health and environment and so can be incorporated in organic cultivation.

Keywords: Abiotic factors, incidence, botanical extracts, organic cultivation, silk industry

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Authors: Xiyao Shan, Pavlos Evangelidis, Adam Kositsky, Naoki Ikeda, Yasuo Kawakami

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The human triceps surae (two bi-articular gastrocnemii and one mono-articular soleus) have aponeuroses in the posterior and anterior aspects of each muscle, where the anterior aponeuroses of the gastrocnemii adjoin the posterior aponeurosis of the soleus, possibly contributing to the intermuscular force transmission between gastrocnemii and soleus. Since the mechanical behavior of these aponeuroses at different knee- and ankle-joint positions remains unclear, the purpose of this study was to clarify this through observations of the localized changes in passive stiffness of the posterior aponeuroses, muscle belly and adjoining aponeuroses of the medial gastrocnemius (MG) induced by different knee and ankle angles. Eleven healthy young males (25 ± 2 yr, 176.7 ± 4.7 cm, 71.1 ± 11.1 kg) participated in this study. Each subject took either a prone position on an isokinetic dynamometer while the knee joint was fully extended (K180) or a kneeling position while the knee joint was 90° flexed (K90), in a randomized and counterbalanced order. The ankle joint was then passively moved through a 50° range of motion (ROM) by the dynamometer from 30° of plantar flexion (PF) to 20° of dorsiflexion (DF) at 2°/s and the ultrasound shear-wave velocity was measured to obtain shear moduli of the posterior aponeurosis, MG belly, and adjoining aponeuroses. The main findings were: 1) shear modulus in K180 was significantly higher (p < 0.05) than K90 for the posterior aponeurosis (across all ankle angles, 10.2 ± 5.7 kPa-59.4 ± 28.7 kPa vs. 5.4 ± 2.2 kPa-11.6 ± 4.1 kPa), MG belly (from PF10° to DF20°, 9.7 ± 2.2 kPa-53.6 ± 18.6 kPa vs. 8.0 ± 2.7 kPa-9.5 ± 3.7 kPa), and adjoining aponeuroses (across all ankle angles, 17.3 ± 7.8 kPa-80 ± 25.7 kPa vs. 12.2 ± 4.5 kPa-52.4 ± 23.0 kPa); 2) shear modulus of the posterior aponeuroses significantly increased (p < 0.05) from PF10° to PF20° in K180, while shear modulus of MG belly significantly increased (p < 0.05) from 0° to PF20° only in K180 and shear modulus of adjoining aponeuroses significantly increased (p < 0.05) across the whole ROM of ankle both in K180 and K90. These results suggest that different knee-joint positions can affect not only the bi-articular gastrocnemius but also influence the mechanical behavior of aponeuroses. In addition, compared to the gradual stiffening of the adjoining aponeuroses across the whole ROM of ankle, the posterior aponeurosis became slack in the plantar flexed positions and then was stiffened gradually as the knee was fully extended. This suggests distinct stiffening for the posterior and adjoining aponeuroses which is joint position-dependent.

Keywords: aponeurosis, plantar flexion and dorsiflexion, shear modulus, shear wave elastography

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Authors: Shaher Bano, Samia Fida, Asif Israr

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The continuous development and exploitation of materials and designs have diverted the attention of the world towards the use of robust composite materials known as fiber-metal laminates in many high-performance applications. The hybrid structure of fiber metal laminates makes them a material of choice for various applications such as aircraft skin panels, fuselage floorings, door panels and other load bearing applications. The synergistic effect of properties of metals and fibers reinforced laminates are responsible for their high damage tolerance as the metal element provides better fatigue and impact properties, while high stiffness and better corrosion properties are inherited from the fiber reinforced matrix systems. They are mostly used as a layered structure in different joint configurations such as lap and but joints. The FML layers are usually bonded with each other using either mechanical fasteners or adhesive bonds. This research work is also focused on modification of an adhesive bonded joint as a single lap joint of carbon fibers based CARALL FML has been modified to increase interlaminar shear strength and avoid delamination. For this purpose different joint modification techniques such as the introduction of spews and shoulder to modify the bond shape and use of nanofillers such as carbon nano-tubes as a reinforcement in the adhesive materials, have been utilized to improve shear strength of lap joint of the adhesively bonded FML layers. Both the simulation and experimental results showed that lap joint with spews and shoulders configuration have better properties due to stress distribution over a large area at the corner of the joint. The introduction of carbon nanotubes has also shown a positive effect on shear stress and joint strength as they act as reinforcement in the adhesive bond material.

Keywords: adhesive joint, Carbon Reinforced Aluminium Laminate (CARALL), fiber metal laminates, spews

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Authors: I. Tzoka, V. A. Chirayath, A. Brandt, J. Asaadi, Melvin J. Aviles, Stephen Clarke, Stefan Cwik, Michael R. Foley, Cole J. Hamel, Alexey Lyashenko, Michael J. Minot, Mark A. Popecki, Michael E. Stochaj, S. Shin

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Micro-channel plate photo-multiplier tubes (MCP-PMTs) have become ubiquitous and are widely considered potential candidates for next generation High Energy Physics experiments due to their picosecond timing resolution, ability to operate in strong magnetic fields, and low noise rates. A key factor that determines the applicability of MCP-PMTs in their lifetime, especially when they are used in high event rate experiments. We have developed a novel method for the investigation of the aging behavior of an MCP-PMT on an accelerated basis. The method involves exposing a localized region of the MCP-PMT to photons at a high repetition rate. This pixel-based method was inspired by earlier results showing that damage to the photocathode of the MCP-PMT occurs primarily at the site of light exposure and that the surrounding region undergoes minimal damage. One advantage of the pixel-based method is that it allows the dynamics of photo-cathode damage to be studied at multiple locations within the same MCP-PMT under different operating conditions. In this work, we use the pixel-based accelerated lifetime test to investigate the aging behavior of a 20 cm x 20 cm Large Area Picosecond Photo Detector (LAPPD) manufactured by INCOM Inc. at multiple locations within the same device under different operating conditions. We compare the aging behavior of the MCP-PMT obtained from the first lifetime test conducted under high gain conditions to the lifetime obtained at a different gain. Through this work, we aim to correlate the lifetime of the MCP-PMT and the rate of ion feedback, which is a function of the gain of each MCP, and which can also vary from point to point across a large area (400 $cm^2$) MCP. The tests were made possible by the uniqueness of the LAPPD design, which allows independent control of the gain of the chevron stacked MCPs. We will further discuss the implications of our results for optimizing the operating conditions of the detector when used in high event rate experiments.

Keywords: electron multipliers (vacuum), LAPPD, lifetime, micro-channel plate photo-multipliers tubes, photoemission, time-of-flight

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Authors: Sourav Biswas, Goutam Prasanna Kar, Suryasarathi Bose

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In order to obtain better materials, control in the precise location of nanoparticles is indispensable. It was shown here that ordered arrangement of nanoparticles, possessing different characteristics (electrical/magnetic dipoles), in the blend structure can result in excellent microwave absorption. This is manifested from a high reflection loss of ca. -67 dB for the best blend structure designed here. To attenuate electromagnetic radiations, the key parameters i.e. high electrical conductivity and large dielectric/magnetic loss are targeted here using a conducting inclusion [multiwall carbon nanotubes, MWNTs]; ferroelectric nanostructured material with associated relaxations in the GHz frequency [barium titanate, BT]; and a loss ferromagnetic nanoparticles [nickel ferrite, NF]. In this study, bi-continuous structures were designed using 50/50 (by wt) blends of polycarbonate (PC) and polyvinylidene fluoride (PVDF). The MWNTs was modified using an electron acceptor molecule; a derivative of perylenediimide, which facilitates π-π stacking with the nanotubes and stimulates efficient charge transport in the blends. The nanoscopic materials have specific affinity towards the PVDF phase. Hence, by introducing surface-active groups, ordered arrangement can be tailored. To accomplish this, both BT and NF was first hydroxylated followed by introducing amine-terminal groups on the surface. The latter facilitated in nucleophilic substitution reaction with PC and resulted in their precise location. In this study, we have shown for the first time that by compartmentalized approach, superior EM attenuation can be achieved. For instance, when the nanoparticles were localized exclusively in the PVDF phase or in both the phases, the minimum reflection loss was ca. -18 dB (for MWNT/BT mixture) and -29 dB (for MWNT/NF mixture), and the shielding was primarily through reflection. Interestingly, by adopting the compartmentalized approach where in, the lossy materials were in the PC phase and the conducting inclusion (MWNT) in PVDF, an outstanding reflection loss of ca. -57 dB (for BT and MWNT combination) and -67 dB (for NF and MWNT combination) was noted and the shielding was primarily through absorption. Thus, the approach demonstrates that nanoscopic structuring in the blends can be achieved under macroscopic processing conditions and this strategy can further be explored to design microwave absorbers.

Keywords: barium titanate, EMI shielding, MWNTs, nickel ferrite

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Authors: Kamil Dydek, Anna Boczkowska, Paulina Latko-Duralek, Rafal Kozera, Michal Salacinski

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In recent years there has been increasing interest in many industries, such as the aviation, automotive, and military industries, in Carbon Fibre Reinforced Polymers (CFRP). This is because of the excellent properties of CFRP, which are characterized by very high strength and stiffness in relation to their mass, low density (almost twice as low as aluminum and more than five times as low as steel), and corrosion resistance. However, they do not have sufficient electrical conductivity, which is required in some applications. Therefore, work is underway to improve their electrical conductivity, for example, by incorporating carbon nanotubes (CNTs) into the CFRP structure. CNTs possess excellent properties, such as high electrical conductivity, high aspect ratio, high Young’s modulus, and high tensile strength. An idea developed by our team is a modification of CFRP by the use of thermoplastic nonwovens containing CNTs. Nanocomposite fibers were made from three different masterbatches differing in the content of multi-wall carbon nanotubes, and then nonwovens that differed in areal weight were produced using a thermo-press. The out of autoclave method was used to fabricate the laminates from commercial carbon-epoxy prepreg dedicated to aviation applications - one without the nonwovens (reference) and five containing nonwovens placed between each prepreg layer. The volume of electrical conductivity of the manufactured laminates was measured in three directions. In order to investigate the adhesion between carbon fibers and nonwovens, the microstructure of the produced laminates was observed. The mechanical properties of the CFRP composites were measured in a short-beam shear test. In addition, the influence of thermoplastic nonwovens on the thermos-mechanical properties of laminates was analyzed by Dynamic Mechanical Analysis. The studies were carried out within grant no. DOB-1-3/1/PS/2014 financed by the National Centre for Research and Development in Poland.

Keywords: CFRP, thermoplastic nonwovens, carbon nanotubes, electrical conductivity

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Authors: Khaled Asfour

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Going for LEED certification is the latest concern in Egyptian practice that only materialized during the last 4 years. Egyptian Consultant Group (ECG) together with Credit Agricole had the vision to design a headquarters (Cairo) that delivers a serious sustainable design. The bank is a strong advocator of “green banking” and supports renewable energy and energy saving projects. Their HQ in Cairo has passed all the hurdles to become the first platinum LEED certificate holder in Egypt. With this design Egyptian practice has finally re-engaged in a serious way with its long-standing traditions in sustainable architecture. Perhaps the closest to our memory is the medieval houses of Cairo. Few centuries later these qualities disappeared with the advent of Modern Movement that focused more on standard modernist image making than real localized quality of living environments. The first person to note this disappearance was Hassan Fathy half a century ago. Despite international applaud for his efforts he had no effect on prevailing local practice that continued senselessly adopting recycled modernist templates. The Egyptian society was not ready to accept any reference to historic architecture. Disciples of Hassan Fathy, few decades later sought, of tackling the lack of interest in green architecture in a different way. Mohamed Awad introduced in his design sustainable ideals inspired from traditional architecture rather than recycling directly historic forms and images. Despite success, this approach did not go far enough to influence the prevailing practice. Since year 2000 Egyptian economy was ebbing and flowing dramatically. This staggering fluctuation coupled by energy crisis has disillusioned architects and clients on the issue of modern image making. No more shining architecture under the sun with high running cost of fossil fuel. They sought of adopting contemporary green measures that offer pleasant living while saving on energy. A revival is on its way but is very slow and timid. The paper will present this problem of reviving sustainable architecture. How this process can be accelerated in order to give stronger impact on current practice will be addressed through the works of Mario Cucinella and Norman Foster.

Keywords: LEED certification, Hasan Fathy, Medieval architecture, Mario Cucinella, Norman Foster

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Authors: Francisco Javier Montes Ruiz-Cabello, Guillermo Guerrero-Vacas, Sara Bermudez-Romero, Miguel Cabrerizo Vilchez, Miguel Angel Rodriguez-Valverde

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Galvanized steel is one of the widespread metallic materials used in industry. It consists on a iron-based alloy (steel) coated with a layer of zinc with variable thickness. The zinc is aimed to prevent the inner steel from corrosion and staining. Its production is cheaper than the stainless steel and this is the reason why it is employed in the construction of materials with large dimensions in aeronautics, urban/ industrial edification or ski-resorts. In all these applications, turning the natural hydrophilicity of the metal surface into superhydrophobicity is particularly interesting and would open a wide variety of additional functionalities. However, producing a superhydrophobic surface on galvanized steel may be a very difficult task. Superhydrophobic surfaces are characterized by a specific surface texture which is reached either by coating the surface with a material that incorporates such texture, or by conducting several roughening methods. Since galvanized steel is already a coated material, the incorporation of a second coating may be undesired. On the other hand, the methods that are recurrently used to incorporate the surface texture leading to superhydrophobicity in metals are aggressive and may damage their surface. In this work, we used a novel strategy which goal is to produce superhydrophobic galvanized steel by a two-step non-aggressive process. The first process is aimed to create a hierarchical structure by incorporating zinc nanoparticles sintered on the surface at a temperature slightly lower than the zinc’s melting point. The second one is a hydrophobization by a thick fluoropolymer layer deposition. The wettability of the samples is characterized in terms of tilting plate and bouncing drop experiments, while the roughness is analyzed by confocal microscopy. The durability of the produced surfaces was also explored.

Keywords: galvanaized steel, superhydrophobic surfaces, sintering nanoparticles, zinc nanopowder

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Authors: Matthew Baucum

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With the increasing popularity of fMRI as an experimental method, psychology and neuroscience can greatly benefit from advanced techniques for summarizing and synthesizing large amounts of data from brain imaging studies. One promising avenue is automated meta-analyses, in which natural language processing methods are used to identify the brain regions consistently associated with certain semantic concepts (e.g. “social”, “reward’) across large corpora of studies. This study builds on this approach by demonstrating how, in fMRI meta-analyses, individual voxels can be treated as vectors in a semantic space and evaluated for their “proximity” to terms of interest. In this technique, a low-dimensional semantic space is built from brain imaging study texts, allowing words in each text to be represented as vectors (where words that frequently appear together are near each other in the semantic space). Consequently, each voxel in a brain mask can be represented as a normalized vector sum of all of the words in the studies that showed activation in that voxel. The entire brain mask can then be visualized in terms of each voxel’s proximity to a given term of interest (e.g., “vision”, “decision making”) or collection of terms (e.g., “theory of mind”, “social”, “agent”), as measured by the cosine similarity between the voxel’s vector and the term vector (or the average of multiple term vectors). Analysis can also proceed in the opposite direction, allowing word cloud visualizations of the nearest semantic neighbors for a given brain region. This approach allows for continuous, fine-grained metrics of voxel-term associations, and relies on state-of-the-art “open vocabulary” methods that go beyond mere word-counts. An analysis of over 11,000 neuroimaging studies from an existing meta-analytic fMRI database demonstrates that this technique can be used to recover known neural bases for multiple psychological functions, suggesting this method’s utility for efficient, high-level meta-analyses of localized brain function. While automated text analytic methods are no replacement for deliberate, manual meta-analyses, they seem to show promise for the efficient aggregation of large bodies of scientific knowledge, at least on a relatively general level.

Keywords: FMRI, machine learning, meta-analysis, text analysis

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Authors: D. Miroud, H. Mokaddem, M. Tata, N. Foucha

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The body of PDC (polycrystalline diamond compact) drill bit can be manufactured from two different materials, steel and tungsten carbide matrix. Commonly the steel body is produced by machining, thermal spraying a bonding layer and hardfacing of Ni-based matrix reinforced with fused eutectic tungsten carbide (WC/W2C). The matrix body bit is manufactured by infiltrating tungsten carbide particles, with a Copper binary or ternary alloy. By erosion-corrosion mechanisms, the PDC drill bits matrix undergoes severe damage, occurring particularly around the PDC inserts and near injection nozzles. In this study, we investigated the possibility to repair the damaged matrix regions by hardfacing technic. Ni-based hardfacing alloy reinforced with fused eutectic tungsten carbide is deposited on infiltrated WC-W-Ni substrate by oxyacetylene welding (OAW). The microstructure at the hardfacing / matrix interface is characterized by SEM- EDS, XRD and micro hardness Hv0.1. The hardfacing conditions greatly affect the dilution phenomenon and the distribution of carbides at the interface, without formation of transition zone. During OAW welding deposition, interdiffusion of atoms occurs: Cu and Sn diffuse from infiltrated matrix substrate into hardfacing and simultaneously Cr and Si alloy elements from hardfacing diffuse towards the substrate. The dilution zone consists of a nickel-rich phase with a heterogeneous distribution of eutectic spherical (Ni-based hardfacing alloy) and irregular (matrix) WC/W2C carbides and a secondary phase rich in Cr-W-Si. Hardfacing conditions cause the dissolution of banding around both spherical and irregular carbides. The micro-hardness of interface is significantly improved by the presence of secondary phase in the inter-dendritic structure.

Keywords: dilution, dissolution, hardfacing, infiltrated matrix, PDC drill bits

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Authors: Syed A. Bukhari, Ankur Goswmai, Dale Hume, Thomas Thundat

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Here we demonstrate mechanical detection of photo-induced Insulator to metal transition (MIT) in ultra-thin vanadium dioxide (VO₂) micro strings by using < 100 µW of optical power. Highly focused laser beam heated the string locally resulting in through plane and along axial heat diffusion. Localized temperature increase can cause temperature rise > 60 ºC. The heated region of VO₂ can transform from insulating (monoclinic) to conducting (rutile) phase leading to lattice compressions and stiffness increase in the resonator. The mechanical frequency of the resonator can be tuned by changing optical power and wavelength. The first mode resonance frequency was tuned in three different ways. A decrease in frequency below a critical optical power, a large increase between 50-120 µW followed by a large decrease in frequency for optical powers greater than 120 µW. The dynamic mechanical response was studied as a function of incident optical power and gas pressure. The resonance frequency and amplitude of vibration were found to be decreased with increasing laser power from 25-38 µW and increased by1-2 % when the laser power was further increased to 52 µW. The transition in films was induced and detected by a single pump and probe source and by employing external optical sources of different wavelengths. This trend in dynamic parameters of the strings can be co-related with reversible Insulator to metal transition in VO₂ films which creates change in density of the material and hence the overall stiffness of the strings leading to changes in string dynamics. The increase in frequency at a particular optical power manifests a transition to a more ordered metallic phase which tensile stress onto the string. The decrease in frequency at higher optical powers can be correlated with poor phonon thermal conductivity of VO₂ in conducting phase. Poor thermal conductivity of VO₂ can force in-plane penetration of heat causing the underneath SiN supporting VO₂ which can result as a decrease in resonance frequency. This noninvasive, non-contact laser-based excitation and detection of Insulator to metal transition using micro strings resonators at room temperature and with laser power in few µWs is important for low power electronics, and optical switching applications.

Keywords: thermal conductivity, vanadium dioxide, MEMS, frequency tuning

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Authors: M. A. Bayona, E. M. Cordoba, V. R. Guiza

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Highly porous carbon-based foams are used in a wide range of industrial applications, which include absorption, catalyst supports, thermal insulation, and biomaterials, among others. Particularly, silicon carbide (SiC) based foams have shown exceptional potential for catalyst support applications, due to their chemical inertness, large frontal area, low resistance to flow, low-pressure drop, as well as high resistance to temperature and corrosion. These properties allow the use of SiC foams in harsh environments with high durability. Commonly, SiC foams are fabricated from polysiloxane, SiC powders and phenolic resins, which can be costly or highly toxic to the environment. In this work, we propose a low-cost method for the fabrication of highly porous, three-dimensional SiC foams via template replica, using recycled polymeric sponges as sacrificial templates. A sucrose-based resin combined with a Si-containing pre-ceramic polymer was used as the precursor. Polymeric templates were impregnated with the precursor solution, followed by thermal treatment at 1500 °C under an inert atmosphere. Several synthesis parameters, such as viscosity and composition of the precursor solution (Si: Sucrose molar ratio), and the porosity of the template, were evaluated in terms of their effect on the morphology, composition and mechanical resistance of the resulting SiC foams. The synthesized composite foams exhibited a highly porous (50-90%) and interconnected structure, containing 30-90% SiC with a mechanical compressive strength between 0.01-0.1 MPa. The methodology employed here allowed the fabrication of foams with a varied concentration of SiC and with morphological and mechanical properties that contribute to the development of materials of high relevance in the industry, while using low-cost, renewable sources such as table sugar, and providing a recycling alternative for polymeric sponges.

Keywords: catalyst support, polymer replica technique, reticulated porous ceramics, silicon carbide

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Authors: Alan Luo, Hunter N. B. Moseley

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Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from x-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for x-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across x-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: biomacromolecular structure, coenzyme, electron density discrepancy analysis, x-ray crystallography

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Authors: Zahra Dehghani, Hoda Dehghani, Elham Zarenezhad

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1,2,3-Triazole derivatives are important compounds in medicinal chemistry owing to their wide applications in drug discovery. They can readily associate with biologically targets through the hydrogen bonding and dipole interactions. The 1,2,3-triazole core is a key structural motif in many bioactive compounds, exhibiting a broad spectrum of biological activities, such as antiviral, anticancer, anti-HIV, antibiotic, antibacterial, and antimicrobial. Additionally, they have found significant industrial applications as dyes, agrochemicals, corrosion inhibitors, photo stabilizers, and photographic materials. we disclose the synthesis and characterization of 1-azido-3-(aryl-2-yloxy)propan-2-ol drivatives. The chemistry works well with various ß-azido alcohols involving aryloxy, alkoxy and alkyl residues, and also tolerates a wide spectrum of electron-donating and electron-withdrawing functional groups in both alkyne and azide molecules. Most of ß-azidoalcohols used in these experiments were pre-synthesized by the regioselective ring opening reaction of corresponded epoxides with sodium azide, whereas the majority of terminal alkynes were prepared via SN2-type reaction of propargyl bromide and corresponded nucleophiles. To evaluate the bioactivity of title compounds, the in vitro antifungal activity of all compound was investigated against several pathogenic fungi including Candida albicans, Candida krusei, Aspergillus niger, and Trichophyton rubrum , clotrimazole and fluconazole was used as standard antifungal drugs, also To understand the antibacterial activity of synthesized compounds, they were in vitro screened against E. coli and S. aureus as Gram-negative and Gram-positive bacteria, respectively. The in vitro tests have shown the promising antifungal but marginal antibacterial activity against tested fungi and bacteria.

Keywords: biological activities, antibacterial, antifungal, 1, 2, 3-Triazole

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