Search results for: uniform excess energy theory

Authors: Kumlachew Zelalem Walle, Chun-Chen Yang

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Solid-state Lithium metal batteries (SSLMBs) that contain polymer and ceramic solid electrolytes have received considerable attention as an alternative to substitute liquid electrolytes in lithium metal batteries (LMBs) for highly safe, excellent energy storage performance and stability under elevated temperature situations. Here, a novel fast Li-ion conducting material, LiTa₂PO₈ (LTPO), was synthesized and electrochemical performance of as-prepared powder and LTPO-incorporated composite solid polymer electrolyte (LTPO-CPE) membrane were investigated. The as-prepared LTPO powder was homogeneously dispersed in polymer matrices, and a hybrid solid electrolyte membrane was synthesized via a simple solution-casting method. The room temperature total ionic conductivity (σt) of the LTPO pellet and LTPO-CPE membrane were 0.14 and 0.57 mS cm-1, respectively. A coin battery with NCM811 cathode is cycled under 1C between 2.8 to 4.5 V at room temperature, achieving a Coulombic efficiency of 99.3% with capacity retention of 74.1% after 300 cycles. Similarly, the LFP cathode also delivered an excellent performance at 0.5C with an average Coulombic efficiency of 100% without virtually capacity loss (the maximum specific capacity is at 27th: 138 mAh g−1 and 500th: 131.3 mAh g−1). These results demonstrates the feasibility of a high Li-ion conductor LTPO as a filler, and the developed polymer/ceramic hybrid electrolyte has potential to be a high-performance electrolyte for high-voltage cathodes, which may provide a fresh platform for developing more advanced solid-state electrolytes.

Keywords: li-ion conductor, lithium-metal batteries, composite solid electrolytes, liTa2PO8, high-voltage cathode

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Authors: J. E. O. Hernandez

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In the next 20 years, energy production by burning fuels will increase and so will the atmospheric concentration of CO2 and its well-known threats to life on Earth. The technologies available for capturing CO2 are still dubious and this keeps fostering an interest in bio-inspired approaches. The leading one is the application of carbonic anhydrase (CA) –a superfast biocatalyst able to convert up to one million molecules of CO2 into carbonates in water. However, natural CA underperforms when applied to real smoky CO2 in chimneys and, so far, the efforts to create superior CAs in the lab rely on screening methods running under pristine conditions at the micro level, which are far from resembling those in chimneys. For the evolution of man-made enzymes, selection rather than screening would be ideal but this is challenging because of the need for a suitable artificial environment that is also sustainable for our society. Herein we present the stepwise design and construction of a bioprocess (from bench-scale to semi-pilot) for evolutionary selection experiments. In this bioprocess, reaction and adsorption took place simultaneously at atmospheric pressure in a spray tower. The scrubbing solution was fed countercurrently by reusing municipal pressure and it was mainly prepared with water, carbonic anhydrase and calcium chloride. This bioprocess allowed for the enzymatic carbonation of smoky CO2; the reuse of process water and the recovery of solid carbonates without cooling of smoke, pretreatments, solvent amines and compression of CO2. The average yield of solid carbonates was 0.54 g min-1 or 12-fold the amount produced in serum bottles at lab bench scale. This bioprocess could be used as a tailor-made environment for driving the selection of superior CAs. The bioprocess and its match CA could be sustainably used to reduce global warming by CO2 emissions from exhausts.

Keywords: biological carbon capture and sequestration, carbonic anhydrase, directed evolution, global warming

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Authors: Hong Geng, Zaiyu Fan

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With the acceleration of urbanization and motorization in China, the scale of cities and the travel distance of residents are constantly expanding, and the number of cars is continuously increasing, so the urban traffic problem is more and more serious. Traffic congestion, environmental pollution, energy consumption, travel safety and direct interference between traffic and other urban activities are increasingly prominent problems brought about by motorized development. This not only has a serious impact on the lives of the residents but also has a major impact on the healthy development of the city. The paper found that, in order to solve the development of motorization, a number of problems will arise; urban planning and traffic planning and design in residential planning often take into account the development of motorized traffic but neglects the demand for street life. This kind of planning has resulted in the destruction of the traditional communication space of the residential area, the pollution of noise and exhaust gas, and the potential safety risks of the residential area, which has disturbed the previously quiet and comfortable life of the residential area, resulting in the inconvenience of residents' life and the loss of street vitality. Based on these facts, this paper takes a residential area in Wuhan as the research object, through the actual investigation and research, from the perspective of micro-transformation analysis, combined with the concept of traffic micro-reconstruction governance. And research puts forward the residential traffic optimization strategies such as strengthening the interaction and connection between the residential area and the urban street system, street traffic classification and organization.

Keywords: micro-transformation, residential traffic, residents demand, traffic microcirculation

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Authors: Rabeb Triki, Hassene Djemel, Mounir Baccar

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Surface scraping is a passive heat transfer enhancement technique that is directly used in scraped surface heat exchanger (SSHE). The scraping action prevents the accumulation of the product on the inner wall, which intensifies the heat transfer and avoids the formation of dead zones. SSHEs are widely used in industry for several applications such as crystallization, sterilization, freezing, gelatinization, and many other continuous processes. They are designed to deal with products that are viscous, sticky or that contain particulate matter. This research work presents a three-dimensional numerical simulation of the coupled thermal and hydrodynamic behavior within a SSHE which includes Archimedes’ screw instead of scraper blades. The finite volume Fluent 15.0 was used to solve continuity, momentum and energy equations using multiple reference frame formulation. The process fluid investigated under this study is the pure glycerin. Different geometrical parameters were studied in the case of steady, non-isothermal, laminar flow. In particular, attention is focused on the effect of the conicity of the rotor and the pitch of Archimedes’ screw on temperature and velocity distribution and heat transfer rate. Numerical investigations show that the increase of the number of turns in the screw from five to seven turns leads to amelioration of heat transfer coefficient, and the increase of the conicity of the rotor from 0.1 to 0.15 leads to an increase in the rate of heat transfer. Further studies should investigate the effect of different operating parameters (axial and rotational Reynolds number) on the hydrodynamic and thermal behavior of the SSHE.

Keywords: ANSYS-Fluent, hydrodynamic behavior, scraped surface heat exchange, thermal behavior

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Authors: Faizan Asghar, Mohammad Jamal Khattak

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Aging, in general, refers to changes in rheological characteristics of asphalt mixture due to changes in chemical composition over the course of construction and service life of the pavement. The main goal of this study was to investigate the impact of oxidation on fatigue characteristics of a novel HMA composite fabricated with a combination of crumb rubber (CRM) and polyvinyl alcohol (PVA) fiber subject to aging of 7 and 14 days. A flexural beam fatigue test was performed to evaluate several characteristics of control, CRM modified, PVA reinforced, and novel rubber-fiber HMA composite. Experimental results revealed that aging had a significant impact on the fatigue performance of novel HMA composite. It was found that a suitable proportion of CRM and PVA radically affected the performance of novel rubber-fiber HMA in resistance to fracture and fatigue cracking when subjected to long-term aging. The developed novel HMA composite containing 2% CRM and 0.2% PVA presented around 29 times higher resistance to fatigue cracking for a period of 7 days of aging. To develop a cumulative plastic deformation level of 250 micros, such a mixture required over 50 times higher cycles than control HMA. Moreover, the crack propagation rate was reduced by over 90%, with over 12 times higher energy required to propagate a unit crack length in such a mixture compared to conventional HMA. Further, digital imaging correlation analyses revealed a more twisted and convoluted fracture path and higher strain distribution in rubber-fiber HMA composite. The fatigue performance after long-term aging of such novel HMA composite explicitly validates the ability to withstand load repetition that could lead to an extension in the service life of pavement infrastructure and reduce taxpayers’ dollars spent.

Keywords: crumb rubber, PVA fibers, dry process, aging, performance testing, fatigue life

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Authors: Seong Woon Lee, Soo Min Lim, Sung Sik Jeong, Jung Hoon Park

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The atmospheric concentration of greenhouse gas (GHG, Green House Gas) is increasing continuously as a result of the combustion of fossil fuels and industrial development. In response to this trend, many researches have been conducted on the reduction of GHG. Landfill gas (LFG, Land Fill Gas) is one of largest sources of GHG emissions containing the methane (CH₄) as a major constituent and can be considered renewable energy sources as well. In order to use LFG by connecting to the city pipe network, it required a process for removing impurities. In particular, oxygen must be removed because it can cause corrosion of pipes and engines. In this study, methane oxidation was used to eliminate oxygen from LFG and perovskite-type ceramic catalysts of La-Sr-Co-Fe-O composition was selected as a catalyst. Hollow fiber catalysts (HFC, Hollow Fiber Catalysts) have attracted attention as a new concept alternative because they have high specific surface area and mechanical strength compared to other types of catalysts. HFC was prepared by a phase-inversion/sintering technique using commercial La-Sr-Co-Fe-O powder. In order to measure the catalysts' activity, simulated LFG was used for feed gas and complete oxidation reaction of methane was confirmed. Pore structure of the HFC was confirmed by SEM image and perovskite structure of single phase was analyzed by XRD. In addition, TPR analysis was performed to verify the oxygen adsorption mechanism of the HFC. Acknowledgement—The project is supported by the ‘Global Top Environment R&D Program’ in the ‘R&D Center for reduction of Non-CO₂ Greenhouse gases’ (Development and demonstration of oxygen removal technology of landfill gas) funded by Korea Ministry of Environment (ME).

Keywords: complete oxidation, greenhouse gas, hollow fiber catalyst, land fill gas, oxygen removal, perovskite catalyst

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Authors: Adepoju Abiola Lydia, Adeyanju James Abiodun, Abioye A. O.

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Spray drying, an innovative and sustainable preservation method, is increasingly gaining recognition for its potential to enhance food security by extending the shelf life of fruits. This technique involves the atomization of fruit pulp into fine droplets, followed by rapid drying with hot air, resulting in a powdered product that retains much of the original fruit's nutritional value, flavor, and color. By encapsulating sensitive bioactive compounds within a dry matrix, spray drying mitigates nutrient degradation and extends product usability. This technology aligns with sustainability goals by reducing post-harvest losses, minimizing the need for preservatives, and lowering energy consumption compared to conventional drying methods. Furthermore, spray drying enables the use of imperfect or surplus fruits, contributing to waste reduction and providing a continuous supply of nutritious fruit-based ingredients regardless of seasonal variations. The powdered form enhances versatility, allowing incorporation into various food products, thus broadening the scope of fruit utilization. Innovations in spray drying, such as the use of novel carrier agents and optimization of processing parameters, enhance the quality and functionality of the final product. Moreover, the scalability of spray drying makes it suitable for both industrial applications and smaller-scale operations, supporting local economies and food systems. In conclusion, spray drying stands out as a key technology in enhancing food security by ensuring a stable supply of high-quality, nutritious food ingredients while fostering sustainable agricultural practices.

Keywords: spray drying, sustainable, process parameters, carrier agents, fruits

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Authors: S. M. Ishtiaque, V. K. Yadav, S. D. Joshi, J. K. Chatterjee

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The DIAMETRIC FAULTS system has been developed that captures a bi-directional image of yarn continuously in sequentially manner and provides the detailed classification of faults. A novel mathematical framework developed on the acquired bi-directional images forms the basis of fault classification in four broad categories, namely, Thick1, Thick2, Thin and Normal Yarn. A discretised version of Radon transformation has been used to convert the bi-directional images into one-dimensional signals. Images were divided into training and test sample sets. Karhunen–Loève Transformation (KLT) basis is computed for the signals from the images in training set for each fault class taking top six highest energy eigen vectors. The fault class of the test image is identified by taking the Euclidean distance of its signal from its projection on the KLT basis for each sample realization and fault class in the training set. Euclidean distance applied using various techniques is used for classifying an unknown fault class. An accuracy of about 90% is achieved in detecting the correct fault class using the various techniques. The four broad fault classes were further sub classified in four sub groups based on the user set boundary limits for fault length and fault volume. The fault cross-sectional area and the fault length defines the total volume of fault. A distinct distribution of faults is found in terms of their volume and physical dimensions which can be used for monitoring the yarn faults. It has been shown from the configurational based characterization and classification that the spun yarn faults arising out of mass variation, exhibit distinct characteristics in terms of their contours, sizes and shapes apart from their frequency of occurrences.

Keywords: Euclidean distance, fault classification, KLT, Radon Transform

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Authors: Juan Huang, Hugo Ninanya

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Oil has been used as a source of energy and supply to make materials, such as asphalt or rubber for many years. This is the reason why new technologies have been implemented through time. However, research still needs to continue increasing due to new challenges engineers face every day, just like unconventional reservoirs. Various numerical methodologies have been applied in petroleum engineering as tools in order to optimize the production of reservoirs before drilling a wellbore, although not all of these have the same efficiency when talking about studying fracture propagation. Analytical methods like those based on linear elastic fractures mechanics fail to give a reasonable prediction when simulating fracture propagation in ductile materials whereas numerical methods based on the cohesive zone method (CZM) allow to represent the elastoplastic behavior in a reservoir based on a constitutive model; therefore, predictions in terms of displacements and pressure will be more reliable. In this work, a hydro-geomechanical coupled model of horizontal wells in fractured rock was developed using ABAQUS; both extended element method and cohesive elements were used to represent predefined fractures in a model (2-D). A power law for representing the rheological behavior of fluid (shear-thinning, power index <1) through fractures and leak-off rate permeating to the matrix was considered. Results have been showed in terms of aperture and length of the fracture, pressure within fracture and fluid loss. It was showed a high infiltration rate to the matrix as power index decreases. A sensitivity analysis is conclusively performed to identify the most influential factor of fluid loss.

Keywords: fracture, hydro-geomechanical model, non-Newtonian fluid, numerical analysis, sensitivity analysis

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Authors: May B. Eclar, Romeo M. Alip, Ailyn C. Eay, Jennifer M. Alip, Michelle A. Mejica, Eloy C.eclar

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The COVID-19 pandemic has significantly changed the educational landscape of the Philippines. The groups affected by these changes are the poor and those living in the Geographically Isolated and Depressed Areas (GIDA), such as the Indigenous Peoples (IP). This was heavily experienced by the ten IP schools in Zambales, a province in the country. With this in mind, plus other factors relative to safety, the Schools Division of Zambales selected these ten schools to conduct the pilot implementation of in-person classes two (2) years after the country-wide school closures. This study aimed to explore the lived experiences of the school heads of the first ten Indigenous People’s (IP) schools that shifted from distance learning to limited in-person learning. These include the challenges met and the coping mechanism they set to overcome the challenges. The study is linked to experiential learning theory as it focuses on the idea that the best way to learn things is by having experiences). It made use of qualitative research, specifically phenomenology. All the ten school heads from the IP schools were chosen as participants in the study. Afterward, participants underwent semi-structured interviews, both individual and focus group discussions, for triangulation. Data were analyzed through thematic analysis. As a result, the study found that most IP schools did not struggle to convince parents to send their children back to school as they downplay the pandemic threat due to their geographical location. The parents struggled the most during modular learning since many of them are either illiterate, too old to teach their children, busy with their lands, or have too many children to teach. Moreover, there is a meager vaccination rate in the ten barangays where the schools are located because of local beliefs. In terms of financial needs, school heads did not find it difficult even though funding is needed to adjust the schools to the new normal because of the financial support coming from the central office. Technical assistance was also provided to the schools by division personnel. Teachers also welcomed the idea of shifting back to in-person classes, and minor challenges were met but were solved immediately through various mechanisms. Learning losses were evident since most learners struggled with essential reading, writing, and counting skills. Although the community has positively received the conduct of in-person classes, the challenges these IP schools have been experiencing pre-pandemic were also exacerbated due to the school closures. It is therefore recommended that constant monitoring and provision of support must continue to solve other challenges the ten IP schools are still experiencing due to in-person classes

Keywords: In-person learning, indigenous peoples, phenomenology, philippines

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Authors: Sayed M. Soleimani, Nader H. Ghareeb, Nourhan H. Shaker, Muhammad B. Siddiqui

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Honeycomb sandwich panels have been widely used as protective structural elements against blast loading. The main advantages of these panels include their light weight due to the presence of voids, as well as their energy absorption capability. Terrorist activities have imposed new challenges to structural engineers to design protective measures for vital structures. Since blast loading is not usually considered in the load combinations during the design process of a structure, researchers around the world have been motivated to study the behavior of potential elements capable of resisting sudden loads imposed by the detonation of explosive materials. One of the best candidates for this objective is the honeycomb sandwich panel. Studying the effects of explosive materials on the panels requires costly and time-consuming experiments. Moreover, these type of experiments need permission from defense organizations which can become a hurdle. As a result, modeling and simulation using an appropriate tool can be considered as a good alternative. In this research work, the finite element package ABAQUS® is used to study the behavior of hexagonal and squared honeycomb steel sandwich panels under the explosive effects of different amounts of trinitrotoluene (TNT). The results of finite element modeling of a specific honeycomb configuration are initially validated by comparing them with the experimental results from literature. Afterwards, several configurations including different geometrical properties of the honeycomb wall are investigated and the results are compared with the original model. Finally, the effectiveness of the core shape and wall thickness are discussed, and conclusions are made.

Keywords: Abaqus, blast loading, finite element modeling, steel honeycomb sandwich panel

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Authors: Behnam Mahdiyan Nasl

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In a lab-scale research, the effects of feeding whey into the biogas system and how to solve the probable problems arising were analysed. In the study a semi-continuous glass reactor, having a total capacity of 13 liters and having a working capacity of 10 liters, was placed in an incubator, and the temperature was tried to be held at 38 °C. At first, the reactor was operated by adding 5 liters of animal manure and water with a ratio of 1/1. By passing time, the production rate of the gas reduced intensively that on the fourth day there was no production of gas and the system stopped working. In this condition, the pH was adjusted and by adding NaOH, it was increased from 5.4 to 7. On 48th day, the first gas measurement was done and an amount of 12.07 % of CH₄ was detected. After making buffer in the ambient, the number of bacteria existing in the cattle’s manure and contributing to the gas production was thought to be not adequate, and up to 20 % of its volume 2 liters of mud was added to the reactor. 7 days after adding the anaerobic mud, second gas measurement was carried out, and biogas including 43 % CH₄ was obtained. From the 61st day of the study, the cheese whey with the animal manure was started to be added with an amount of 40 mL per day. However, by passing time, the raising of the microorganisms existed in the whey (especially Ni and Co), the percent of methane in the biogas decreased. In fact, 2 weeks after adding PAS, the gas measurement was done and 36,97 % CH₄ was detected. 0,06 mL Ni-Co (to gain a concentration of 0.05 mg/L in the reactor’s mixture) solution was added to the system for 15 days. To find out the effect of the solution on archaea, 7 days after stopping addition of the solution, methane gas was found to have a 9,03 % increase and reach 46 %. Lastly, the effects of adding molasses to the reactor were investigated. The effects of its activity on the bacteria was analysed by adding 4 grams of it to the system. After adding molasses in 10 days, according to the last measurement, the amount of methane gas reached up to 49%.

Keywords: biogas, cheese whey, cattle manure, energy

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Authors: Mingming Leng

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Wal-Mart has allocated considerable human resources for its quality assurance program, in which the largest retailer serves its supply chains as a quality gatekeeper. Asda Stores Ltd., the second largest supermarket chain in Britain, is now investing £27m in significantly increasing the frequency of quality control checks in its supply chains and thus enhancing quality across its fresh food business. Moreover, Tesco, the largest British supermarket chain, already constructed a quality assessment center to carry out its gatekeeping responsibility. Motivated by the above practices, we consider a supply chain in which a retailer plays the gatekeeping role in quality assurance by identifying defects among a manufacturer's products prior to selling them to consumers. The impact of a retailer's gatekeeping activity on pricing and quality assurance in a supply chain has not been investigated in the operations management area. We draw a number of managerial insights that are expected to help practitioners judiciously consider the quality gatekeeping effort at the retail level. As in practice, when the retailer identifies a defective product, she immediately returns it to the manufacturer, who then replaces the defect with a good quality product and pays a penalty to the retailer. If the retailer does not recognize a defect but sells it to a consumer, then the consumer will identify the defect and return it to the retailer, who then passes the returned 'unidentified' defect to the manufacturer. The manufacturer also incurs a penalty cost. Accordingly, we analyze a two-stage pricing and quality decision problem, in which the manufacturer and the retailer bargain over the manufacturer's average defective rate and wholesale price at the first stage, and the retailer decides on her optimal retail price and gatekeeping intensity at the second stage. We also compare the results when the retailer performs quality gatekeeping with those when the retailer does not. Our supply chain analysis exposes some important managerial insights. For example, the retailer's quality gatekeeping can effectively reduce the channel-wide defective rate, if her penalty charge for each identified de-fect is larger than or equal to the market penalty for each unidentified defect. When the retailer imple-ments quality gatekeeping, the change in the negotiated wholesale price only depends on the manufac-turer's 'individual' benefit, and the change in the retailer's optimal retail price is only related to the channel-wide benefit. The retailer is willing to take on the quality gatekeeping responsibility, when the impact of quality relative to retail price on demand is high and/or the retailer has a strong bargaining power. We conclude that the retailer's quality gatekeeping can help reduce the defective rate for consumers, which becomes more significant when the retailer's bargaining position in her supply chain is stronger. Retailers with stronger bargaining powers can benefit more from their quality gatekeeping in supply chains.

Keywords: bargaining, game theory, pricing, quality, supply chain

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Authors: Hicham Idriss

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Hydrogen production from water is one of the most promising methods to secure renewable sources or vectors of energy for societies in general and for chemical industries in particular. At present over 90% of the total amount of hydrogen produced in the world is made from non-renewable fossil fuels (via methane reforming). There are many methods for producing hydrogen from water and these include reducible oxide materials (solar thermal production), combined PV/electrolysis, artificial photosynthesis and photocatalysis. The most promising of these processes is the one relying on photocatalysis; yet serious challenges are hindering its success so far. In order to make this process viable considerable improvement of the photon conversion is needed. Among the key studies that our group has been conducting in the last few years are those focusing on synergism between the semiconductor phases, photonic band gap materials, pn junctions, plasmonic resonance responses, charge transfer to metal cations, in addition to metal dispersion and band gap engineering. In this work results related to phase transformation of the anatase to rutile in the case of TiO2 (synergism), of Au and Ag dispersion (electron trapping and hydrogen-hydrogen recombination centers) as well as their plasmon resonance response (visible light conversion) are presented and discussed. It is found for example that synergism between the two common phases of TiO2 (anatase and rutile) is sensitive to the initial particle size. It is also found, in agreement with previous results, that the rate is very sensitive to the amount of metals (with similar particle size) on the surface unlike the case of thermal heterogeneous catalysis.

Keywords: photo-catalysis, hydrogen production, water splitting, plasmonic

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Authors: Pranas Baltrėnas, Dainius Paliulis

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Cyclones are widely used for separating particles from gas in energy production objects. Efficiency of normal centrifugal air cleaning devices ranges from 85 to 90%, but weakness of many cyclones is low collection efficiency of particles less than 10 μm in diameter. Many factors have impact on cyclone efficiency – humidity, temperature, gas (air) composition, airflow velocity and etc. Many scientists evaluated only effect of origin and size of PM on cyclone efficiency. Effect of gas (air) composition and temperature on cyclone efficiency still demands contributions. Complex experimental research on efficiency of cylindrical eight-channel system with adjustable half-rings for removing fine dispersive particles (< 20 μm) was carried out. The impact of gaseous smoke components on removal of wood ashes was analyzed. Gaseous components, present in the smoke mixture, with the dynamic viscosity lower than that of same temperature air, decrease the d50 value, simultaneously increasing the overall particulate matter removal efficiency in the cyclone, i.e. this effect is attributed to CO2 and CO, while O2 and NO have the opposite effect. Air temperature influences the d50 value, an increase in air temperature yields an increase in d50 value, i.e. the overall particulate matter removal efficiency declines, the reason for this being an increasing dynamic air viscosity. At 120 °C temperature the d50 value is approximately 11.8 % higher than at air temperature of 20 °C. With an increase in smoke (gas) temperature from 20 °C to 50 °C, the aerodynamic resistance in a 1-tier eight-channel cylindrical cyclone drops from 1605 to 1380 Pa, from 1660 to 1420 Pa in a 2-tier eight-channel cylindrical cyclone, from 1715 to 1450 Pa in a 3-tier eight-channel cylindrical cyclone. The reason for a decline in aerodynamic resistance is the declining gas density. The aim of the paper is to analyze the impact of gaseous smoke components on the eight–channel cyclone with tangential inlet.

Keywords: cyclone, adjustable half-rings, particulate matter, efficiency, gaseous compounds, smoke

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Authors: M. Nita-Lazar, E. Manea, C. Bumbac, A. Banciu, C. Stoica

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The population and economic growth have generated a significant new number of pollutant compounds which have to be degraded before reaching the environment. The wastewater treatment plants (WWTPs) have been the last barrier between the domestic and/or industrial wastewaters and the environment. At present, the conventional WWTPs have very high operational costs, most of them linked to the aeration process (60-65% from total energy costs related to wastewater treatment). In addition, they have had a low efficiency in pollutants removal such as pharmaceutical and other resilient anthropogenic compounds. In our study, we have been focused on new wastewater treatment strategies to enhance the efficiency of pollutants removal and decrease the wastewater treatment operational costs. The usage of mixed microalgae-bacteria granules technology generated high efficiency and low costs by a better harvesting and less expensive aeration. The intertrophic relationships between microalgae and bacteria have been characterized by the structure of the population community to their metabolic relationships. The results, obtained by microscopic studies, showed well-organized and stratified microalgae-bacteria granules where bacteria have been enveloped in the microalgal structures. Moreover, their population community structure has been modulated as well as their nitrification, denitrification processes (analysis based on qPCR genes expression) by the type of the pollutant compounds and amounts. In conclusion, the understanding and modulation of intertrophic relationships between microalgae and bacteria could be an economical and technological viable alternative to the conventional wastewater treatment. Acknowledgements: This research was supported by grant PN-III-P4-ID-PCE-2016-0865 from the Romanian National Authority for Scientific Research and Innovation CNCS/CCCDI-UEFISCDI.

Keywords: activated sludge, bacteria, granules, microalgae

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Authors: F. M. Pisano, M. Ciminello

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Aerospace, mechanical, and civil engineering infrastructures can take advantages from damage detection and identification strategies in terms of maintenance cost reduction and operational life improvements, as well for safety scopes. The challenge is to detect so called “barely visible impact damage” (BVID), due to low/medium energy impacts, that can progressively compromise the structure integrity. The occurrence of any local change in material properties, that can degrade the structure performance, is to be monitored using so called Structural Health Monitoring (SHM) systems, in charge of comparing the structure states before and after damage occurs. SHM seeks for any "anomalous" response collected by means of sensor networks and then analyzed using appropriate algorithms. Independently of the specific analysis approach adopted for structural damage detection and localization, textual reports, tables and graphs describing possible outlier coordinates and damage severity are usually provided as artifacts to be elaborated for information extraction about the current health conditions of the structure under investigation. Visual Analytics can support the processing of monitored measurements offering data navigation and exploration tools leveraging the native human capabilities of understanding images faster than texts and tables. Herein, a SHM system enrichment by integration of a Visual Analytics component is investigated. Analytical dashboards have been created by combining worksheets, so that a useful Visual Analytics tool is provided to structural analysts for exploring the structure health conditions examined by a Principal Component Analysis based algorithm.

Keywords: interactive dashboards, optical fibers, structural health monitoring, visual analytics

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Authors: Danilo G. De Quadros

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Biofuels are a priority in the renewable energy agenda. The utilization of tropical grasses to ethanol production is a real opportunity to Brazil reaches the world’s leadership in biofuels production because there are 100 million hectares of sown pastures, which represent 20% of all land and 80% of agricultural areas. Basically, nowadays tropical grasses are used to raise livestock. The results obtained in this research could bring tremendous advance not only to national technology and economy but also to improve social and environmental aspects. Thus, the objective of this work was to estimate, through well-established international models, the potential of biofuels production using sown tropical pastures as feedstocks and to compare the results with sugarcane ethanol, considering state-of-art of conversion technology, advantages and limitations factors. There were used data from national and international literature about forage yield and biochemical conversion yield. Some scenarios were studied to evaluate potential advantages and limitations for cellulosic ethanol production, since non-food feedstock appeal to conversion strategies, passing through harvest, densification, logistics, environmental impacts (carbon and water cycles, nutrient recycling and biodiversity), and social aspects. If Brazil used only 1% of sown pastures to ethanol production by biochemical pathway, with average dry matter yield of 15 metric tons per hectare per year (there are results of 40 tons), resulted annually in 721 billion liters, that represents 10 times more than sugarcane ethanol projected by the Government in 2030. However, more research is necessary to take the results to commercial scale with competitive costs, considering many strategies and methods applied in ethanol production using cellulosic feedstock.

Keywords: biofuels, biochemical pathway, cellulosic ethanol, sustainability

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Authors: Ghiwa Dandach

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By challenging the anti-failure bias and contributing to the theoretical territory of the attribution theory, this thesis develops a comprehensive process for entrepreneurial learning from failure. The practical implication of the findings suggests assisting entrepreneurs (current, failing, and nascent) in effectively anticipating and reflecting upon failure. Additionally, the process is suggested to enhance the level of institutional and private (accelerators and financers) support provided to entrepreneurs, the implications of which may improve future opportunities for entrepreneurial success. Henceforth, exploring learning from failure is argued to impact the potential survival of future ventures, subsequently revitalizing the economic contribution of entrepreneurship. This learning process can be enhanced with the cognitive development of causal ascriptions for failure, which eventually impacts learning outcomes. However, the mechanism with which entrepreneurs make sense of failure, reflect on the journey, and transform experience into knowledge is still under-researched. More specifically, the cognitive process of failure attribution is under-explored, majorly in the context of developing economies, calling for a more insightful understanding on how entrepreneurs ascribe failure. Responding to the call for more thorough research in such cultural contexts, this study expands the understanding of the dimensions of failure attributions as perceived by entrepreneurs and the impact of these dimensions on learning outcomes in the Lebanese context. The research adopted the exploratory interpretivism paradigm and collected data from interviews with industry experts first, followed by narratives of entrepreneurs using the qualitative multimethod approach. The holistic and categorical content analysis of narratives, preceded by the thematic analysis of interviews, unveiled how entrepreneurs ascribe failure by developing minor and major dimensions of each failure attribution. The findings have also revealed how each dimension impacts the learning from failure when accompanied by emotional resilience. The thesis concludes that exploring in-depth the dimensions of failure attributions significantly determines the level of learning generated. They are moving beyond the simple categorisation of ascriptions as primary internal or external unveiled how learning may occur with each attribution at the individual, venture, and ecosystem levels. This has further accentuated that a major internal attribution of failure combined with a minor external attribution generated the highest levels of transformative and double-loop learning, emphasizing the role of personal blame and responsibility on enhancing learning outcomes.

Keywords: attribution, entrepreneurship, reflection, sense-making, emotions, learning outcomes, failure, exit

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Authors: Stephen Daniel Iduh, Evans Chidi Egwin, Oluwatosin Kudirat Shittu

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The process for the development of reliable and eco-friendly metallic Nanoparticles is an important step in the field of Nanotechnology for biomedical application. To achieve this, use of natural sources like biological systems becomes essential. In the present work, extracellular biosynthesis of gold Nanoparticles using aqueous leave and stembark extracts of K. senegalensis has been attempted. The gold Nanoparticles produced were characterized using High Resolution scanning electron microscopy, Ultra Violet–Visible spectroscopy, zeta-sizer Nano, Energy-Dispersive X-ray (EDAX) Spectroscopy and Fourier Transmission Infrared (FTIR) Spectroscopy. The cytotoxicity of the synthesized gold nanoparticles on MCF-7 cell line was evaluated using MTT assay. The result showed a rapid development of Nano size and shaped particles within 5 minutes of reaction with Surface Plasmon Resonance at 520 and 525nm respectively. An average particle size of 20-90nm was confirmed. The amount of the extracts determines the core size of the AuNPs. The core size of the AuNPs decreases as the amount of extract increases and it causes the shift of Surface Plasmon Resonance band. The FTIR confirms the presence of biomolecules serving as reducing and capping agents on the synthesised gold nanoparticles. The MTT assay shows a significant effect of gold nanoparticles which is concentration dependent. This environment-friendly method of biological gold Nanoparticle synthesis has the potential and can be directly applied in cancer therapy.

Keywords: biosynthesis, gold nanoparticles, characterization, calotropis procera, cytotoxicity

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Authors: Vasile Caunii, Andreea D. Serban, Mihaela Ivancia

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The paper presents a new approach in terms of the circular economy of technologies for feeding and aeration of accumulations and water basins for fish farming and aquaculture. Because fish is and will be one of the main foods on the planet, the use of bio-eco-technologies is a priority for all producers. The technologies proposed in the paper want to reduce by a substantial percentage the costs of operation of ponds and water accumulation, using non-polluting technologies with minimal impact on the environment. The paper proposes two innovative, intelligent systems, fully automated that use a common platform, completely eco-friendly. One system is intended to aerate the water of the fish pond, and the second is intended to feed the fish by dispersing an optimal amount of fodder, depending on population size, age and habits. Both systems use a floating platform, regenerative energy sources, are equipped with intelligent and innovative systems, and in addition to fully automated operation, significantly reduce the costs of aerating water accumulations (natural or artificial) and feeding fish. The intelligent system used for feeding, in addition, to reduce operating costs, optimizes the amount of food, thus preventing water pollution and the development of bacteria, microorganisms. The advantages of the systems are: increasing the yield of fish production, these are green installations, with zero pollutant emissions, can be arranged anywhere on the water surface, depending on the user's needs, can operate autonomously or remotely controlled, if there is a component failure, the system provides the operator with accurate data on the issue, significantly reducing maintenance costs, transmit data about the water physical and chemical parameters.

Keywords: bio-eco-technologies, economy, environment, fish

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Authors: Khair Al-Deen Bsisu, Osama Mahmoud Abuzeid

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Significant technological advances have been achieved in the design and building construction of steel and glass in the last two decades. The metal glass support frame has been replaced by further sophisticated technological solutions, for example, the point fixed glazing systems. The minimization of the visual mass has reached extensive possibilities through the evolution of technology in glass production and the better understanding of the structural potential of glass itself, the technological development of bolted fixings, the introduction of the glazing support attachments of the glass suspension systems and the use for structural stabilization of cables that reduce to a minimum the amount of metal used. The variability of solutions of tension structures, allied to the difficulties related to geometric and material non-linear behavior, usually overrules the use of analytical solutions, letting numerical analysis as the only general approach to the design and analysis of tension structures. With the characteristics of low stiffness, lightweight, and small damping, tension structures are obviously geometrically nonlinear. In fact, analysis of cable truss is not only one of the most difficult nonlinear analyses because the analysis path may have rigid-body modes, but also a time consuming procedure. Non-linear theory allowing for large deflections is used. The flexibility of supporting members was observed to influence the stresses in the pane considerably in some cases. No other class of architectural structural systems is as dependent upon the use of digital computers as are tensile structures. Besides complexity, the process of design and analysis of tension structures presents a series of specificities, which usually lead to the use of special purpose programs, instead of general purpose programs (GPPs), such as ANSYS. In a special purpose program, part of the design know how is embedded in program routines. It is very probable that this type of program will be the option of the final user, in design offices. GPPs offer a range of types of analyses and modeling options. Besides, traditional GPPs are constantly being tested by a large number of users, and are updated according to their actual demands. This work discusses the use of ANSYS for the analysis and design of tension structures, such as cable truss structures under wind and gravity loadings. A model to describe the glass panels working in coordination with the cable truss was proposed. Under the proposed model, a FEM model of the glass panels working in coordination with the cable truss was established.

Keywords: Glass Construction material, Facades, Finite Element, Pre-Tensioned Cable Truss

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Authors: Taru Hakanen, Mervi Murtonen

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This study aims to increase understanding of the transition of business models in servitization. The significance of service in all business has increased dramatically during the past decades. Service-dominant logic (SDL) describes this change in the economy and questions the goods-dominant logic on which business has primarily been based in the past. A business model canvas is one of the most cited and used tools in defining end developing business models. The starting point of this paper lies in the notion that the traditional business model canvas is inherently goods-oriented and best suits for product-based business. However, the basic differences between goods and services necessitate changes in business model representations when proceeding in servitization. Therefore, new knowledge is needed on how the conception of business model and the business model canvas as its representation should be altered in servitized firms in order to better serve business developers and inter-firm co-creation. That is to say, compared to products, services are intangible and they are co-produced between the supplier and the customer. Value is always co-created in interaction between a supplier and a customer, and customer experience primarily depends on how well the interaction succeeds between the actors. The role of service experience is even stronger in service business compared to product business, as services are co-produced with the customer. This paper provides business model developers with a service business model canvas, which takes into account the intangible, interactive, and relational nature of service. The study employs a design science approach that contributes to theory development via design artifacts. This study utilizes qualitative data gathered in workshops with ten companies from various industries. In particular, key differences between Goods-dominant logic (GDL) and SDL-based business models are identified when an industrial firm proceeds in servitization. As the result of the study, an updated version of the business model canvas is provided based on service-dominant logic. The service business model canvas ensures a stronger customer focus and includes aspects salient for services, such as interaction between companies, service co-production, and customer experience. It can be used for the analysis and development of a current service business model of a company or for designing a new business model. It facilitates customer-focused new service design and service development. It aids in the identification of development needs, and facilitates the creation of a common view of the business model. Therefore, the service business model canvas can be regarded as a boundary object, which facilitates the creation of a common understanding of the business model between several actors involved. The study contributes to the business model and service business development disciplines by providing a managerial tool for practitioners in service development. It also provides research insight into how servitization challenges companies’ business models.

Keywords: boundary object, business model canvas, managerial tool, service-dominant logic

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Authors: Edna T. Bernabe, Joshua Bilolo, Sheila Mae Artillero, Catlicia Joy Caseda, Liezel Once, Donne Ynah Grace Quirante

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Internal communication is significant for an organization to function to its full extent. A strategic communication plan builds an organization’s structure and makes it more systematic. Information is a vital part of communication inside the organization as this lays every possible outcome—be it positive or negative. It is, therefore, imperative to assess the communication structure of a particular organization to secure a better and harmonious communication environment in any organization. Thus, this research was intended to identify the internal communication channels used in Polytechnic University of the Philippines-College of Communication (PUP-COC) as an organization, to identify the flow of information specifically in downward, upward, and horizontal communication, to assess the accuracy, consistency, and timeliness of its internal communication channels; and to come up with a proposed strategic communication plan of information dissemination to improve the existing communication flow in the college. The researchers formulated a framework from Input-Throughout-Output-Feedback-Goal of General System Theory and gathered data to assess the PUP-COC’s internal communication. The communication model links the objectives of the study to know the internal organization of the college. The qualitative approach and case study as the tradition of inquiry were used to gather deeper understanding of the internal organizational communication in PUP-COC, using Interview, as the primary methods for the study. This was supported with a quantitative data which were gathered through survey from the students of the college. The researchers interviewed 17 participants: the College dean, the 4 chairpersons of the college departments, the 11 faculty members and staff, and the acting Student Council president. An interview guide and a standardized questionnaire were formulated as instruments to generate the data. After a thorough analysis of the study, it was found out that two-way communication flow exists in PUP-COC. The type of communication channel the internal stakeholders use varies as to whom a particular person is communicating with. The members of the PUP-COC community also use different types of communication channels depending on the flow of communication being used. Moreover, the most common types of internal communication are the letters and memoranda for downward communication, while letters, text messages, and interpersonal communication are often used in upward communication. Various forms of social media have been found out to be of use in horizontal communication. Accuracy, consistency, and timeliness play a significant role in information dissemination within the college. However, some problems have also been found out in the communication system. The most common problem are the delay in the dissemination of memoranda and letters and the uneven distribution of information and instruction to faculty, staff, and students. This has led the researchers to formulate a strategic communication plan which aims to propose strategies that will solve the communication problems that are being experienced by the internal stakeholders.

Keywords: communication plan, downward communication, internal communication, upward communication

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Authors: Filipa Lancastre, Carmen Lages, Filipe Santos

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The concept of social entrepreneurship (SE) remains ambiguous and deprived of a widely accepted operational definition. We argue that an awareness about the consensual constituent elements of SE from all key players from its ecosystem as well as a deeper understanding of apparently divergent perspectives will allow the different stakeholders (social entrepreneurs, corporations, investors, policymakers, the beneficiaries themselves) to bridge and cooperate for societal value co-creation in trying to solve our most pressing societal issues. To address our research question –what are the dimensions of SE that are consensual and controversial across existing perspectives? – We designed a two-step qualitative study. In a first step, we conducted an extensive literature review, collecting and analyzing 155 different SE definitions. From this initial step, we extracted and characterized three consensual and six controversial dimensions of the SE concept. In a second step, we conducted 20 semi-structured interviews with practitioners that are actively involved in the SE field. The goal of this second step was to verify if the literature did not capture any key dimension, understand how the dimensions related to each other and to understand the rationale behind them. The dimensions of the SE concept were extracted based on the relevance of each theme and on the theoretical relationship among them. To identify the relevance, we used as a proxy the frequency of each theme was referred to in our sample of definitions. To understand relationships, as identified in the previous section, we included concepts from both the management and psychology literature, such as the Entrepreneurial Orientation concept from the entrepreneurship literature, the Subjective Well Being construct from psychology literature, and the Resource-Based Theory from the strategy literature. This study has two main contributions; First, the identification of (consensual and controversial) dimensions of SE that exist across scattered definitions from the academic and practitioner literature. Second, a framework that parsimoniously synthesizes four dominant perspectives of SE and relates them with the SE dimensions. Assuming the contested nature of the SE concept, it is not expected that these views will be reconciled at the academic or practitioner field level. In future research, academics can, however, be aware of the existence of different understandings of SE and avoid bias towards a single view, developing holistic studies on SE phenomena or comparing differences by studying their underlying assumptions. Additionally, it is important that researchers make explicit the perspective they are embracing to ensure consistency among the research question, sampling procedures and implications of results. At the practitioner level, individuals or groups following different logics are predictably mutually suspicious and might benefit from taking stock of other perspectives on SE, building bridges and fostering cross-fertilization to the benefit of the SE ecosystem for which all contribute.

Keywords: social entrepreneurship, conceptualization, dimensions, perspectives

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Authors: Bernice Badal

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The South African English curriculum emphasizes the adoption of the Communicative Approach (CA) using Communicative Language Teaching (CLT) methodologies to develop English as a second language (ESL) learners’ communicative competence in contexts such as township schools in South Africa. However, studies indicate that the adoption of the approach largely remains a rhetoric. Poor English language proficiency among learners and poor student performance, which continues from the secondary to the tertiary phase, is widely attributed to a lack of English language proficiency in South Africa. Consequently, this qualitative study, using a mix of classroom observations and interviews, sought to investigate teacher knowledge of Communicative Competence and the methods and strategies ESL teachers used to develop their learners’ communicative competence. The success of learners’ ability to develop communicative competence in contexts such as township schools in South Africa is inseparable from materials, tasks, teacher knowledge and how they implement the approach in the classrooms. Accordingly, teacher knowledge of the theory and practical implications of the CLT approach is imperative for the negotiation of meaning and appropriate use of language in context in resource-impoverished areas like the township. Using a mix of interviews and observations as data sources, this qualitative study examined teachers’ definitions and knowledge of Communicative competence with a focus on how it influenced their classroom practices. The findings revealed that teachers were not familiar with the notion of communicative competence, the communication process, and the underpinnings of CLT. Teachers’ narratives indicated an awareness that there should be interactions and communication in the classroom, but a lack of theoretical understanding of the types of communication necessary scuttled their initiatives. Thus, conceptual deficiency influences teachers’ practices as they engage in classroom activities in a superficial manner or focus on stipulated learner activities prescribed by the CAPS document. This study, therefore, concluded that partial or limited conceptual and coherent understandings with ‘teacher-proof’ stipulations for classroom practice do not inspire teacher efficacy and mastery of prescribed approaches; thus, more efforts should be made by the Department of Basic Education to strengthen the existing Professional Development workshops to support teachers in improving their understandings and application of CLT for the development of Communicative competence in their learners. The findings of the study contribute to the field of teacher knowledge acquisition, teacher beliefs and practices and professional development in the context of second language teaching and learning with a recommendation that frameworks for the development of communicative competence with wider applicability in resource-poor environments be developed to support teacher understanding and application in classrooms.

Keywords: communicative competence, CLT, conceptual understanding of reforms, professional development

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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: Ziying Wu, Danfeng Yan

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Multi-Access Edge Computing (MEC) is one of the key technologies of the future 5G network. By deploying edge computing centers at the edge of wireless access network, the computation tasks can be offloaded to edge servers rather than the remote cloud server to meet the requirements of 5G low-latency and high-reliability application scenarios. Meanwhile, with the development of IOV (Internet of Vehicles) technology, various delay-sensitive and compute-intensive in-vehicle applications continue to appear. Compared with traditional internet business, these computation tasks have higher processing priority and lower delay requirements. In this paper, we design a 5G-based Vehicle-Aware Multi-Access Edge Computing Network (VAMECN) and propose a joint optimization problem of minimizing total system cost. In view of the problem, a deep reinforcement learning-based joint computation offloading and task migration optimization (JCOTM) algorithm is proposed, considering the influences of multiple factors such as concurrent multiple computation tasks, system computing resources distribution, and network communication bandwidth. And, the mixed integer nonlinear programming problem is described as a Markov Decision Process. Experiments show that our proposed algorithm can effectively reduce task processing delay and equipment energy consumption, optimize computing offloading and resource allocation schemes, and improve system resource utilization, compared with other computing offloading policies.

Keywords: multi-access edge computing, computation offloading, 5th generation, vehicle-aware, deep reinforcement learning, deep q-network

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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: Alireza Jalalvand, Maryam Saleh, Somayeh Behjat Khatouni, Zahra Bahri Najafi, Foroozan Fatahinia, Narges Ismailzadeh, Behrokh Farahmand

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Object: In the last two decades, the recent outbreak of Coronavirus (SARS-CoV-2) imposed a global pandemic in the world. Despite the increasing prevalence of the disease, there are no effective drugs to treat it. A suitable and rapid way to afford an effective drug and treat the global pandemic is a computational drug study. This study used molecular docking methods to examine the potential inhibition of over 50 antiviral drugs against three fundamental proteins of SARS-CoV-2. METHODS: Through a literature review, three important proteins (a key protease, RNA-dependent RNA polymerase (RdRp), and spike) were selected as drug targets. Three-dimensional (3D) structures of protease, spike, and RdRP proteins were obtained from the Protein Data Bank. Protein had minimal energy. Over 50 antiviral drugs were considered candidates for protein inhibition and their 3D structures were obtained from drug banks. The Autodock 4.2 software was used to define the molecular docking settings and run the algorithm. RESULTS: Five drugs, including indinavir, lopinavir, saquinavir, nelfinavir, and remdesivir, exhibited the highest inhibitory potency against all three proteins based on the binding energies and drug binding positions deduced from docking and hydrogen-bonding analysis. Conclusions: According to the results, among the drugs mentioned, saquinavir and lopinavir showed the highest inhibitory potency against all three proteins compared to other drugs. It may enter laboratory phase studies as a dual-drug treatment to inhibit SARS-CoV-2.

Keywords: covid-19, drug repositioning, molecular docking, lopinavir, saquinavir

Procedia PDF Downloads 86