Search results for: verb grammatical structures

Authors: C. D. Ellis, H. Xia, X. Chen

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Experimental and computational studies investigating heat transfer in separated flows have been of increasing importance over the last 60 years, as efforts are being made to understand and improve the efficiency of components such as combustors, turbines, heat exchangers, nuclear reactors and cooling channels. Understanding of not only the time-mean heat transfer properties but also the unsteady properties is vital for design of these components. As computational power increases, more sophisticated methods of modelling these flows become available for use. The hybrid LES-RANS approach has been applied to a blunt leading edge flat plate, utilising a structured grid at a moderate Reynolds number of 20300 based on the plate thickness. In the region close to the wall, the RANS method is implemented for two turbulence models; the one equation Spalart-Allmaras model and Menter’s two equation SST k-ω model. The LES region occupies the flow away from the wall and is formulated without any explicit subgrid scale LES modelling. Hybridisation is achieved between the two methods by the blending of the nearest wall distance. Validation of the flow was obtained by assessing the mean velocity profiles in comparison to similar studies. Identifying the vortex structures of the flow was obtained by utilising the λ2 criterion to identify vortex cores. The qualitative structure of the flow compared with experiments of similar Reynolds number. This identified the 2D roll up of the shear layer, breaking down via the Kelvin-Helmholtz instability. Through this instability the flow progressed into hairpin like structures, elongating as they advanced downstream. Proper Orthogonal Decomposition (POD) analysis has been performed on the full flow field and upon the surface temperature of the plate. As expected, the breakdown of POD modes for the full field revealed a relatively slow decay compared to the surface temperature field. Both POD fields identified the most energetic fluctuations occurred in the separated and recirculation region of the flow. Latter modes of the surface temperature identified these levels of fluctuations to dominate the time-mean region of maximum heat transfer and flow reattachment. In addition to the current research, work will be conducted in tracking the movement of the vortex cores and the location and magnitude of temperature hot spots upon the plate. This information will support the POD and statistical analysis performed to further identify qualitative relationships between the vortex dynamics and the response of the surface heat transfer.

Keywords: heat transfer, hybrid LES-RANS, separated and reattached flow, vortex dynamics

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Authors: Ram V. Mohan, John Rivas-Murillo, Ahmed Mohamed, Wayne D. Hodo

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Cementitious materials, an excellent example of highly complex, heterogeneous material systems, are cement-based systems that include cement paste, mortar, and concrete that are heavily used in civil infrastructure; though commonly used are one of the most complex in terms of the material morphology and structure than most materials, for example, crystalline metals. Processes and features occurring at the nanometer sized morphological structures affect the performance, deformation/failure behavior at larger length scales. In addition, cementitious materials undergo chemical and morphological changes gaining strength during the transient hydration process. Hydration in cement is a very complex process creating complex microstructures and the associated molecular structures that vary with hydration. A fundamental understanding can be gained through multi-scale level modeling for the behavior and properties of cementitious materials starting from the material chemistry level atomistic scale to further explore their role and the manifested effects at larger length and engineering scales. This predictive modeling enables the understanding, and studying the influence of material chemistry level changes and nanomaterial additives on the expected resultant material characteristics and deformation behavior. Atomistic-molecular dynamic level modeling is required to couple material science to engineering mechanics. Starting at the molecular level a comprehensive description of the material’s chemistry is required to understand the fundamental properties that govern behavior occurring across each relevant length scale. Material chemistry level models and molecular dynamics modeling and simulations are employed in our work to describe the molecular-level chemistry features of calcium-silicate-hydrate (CSH), one of the key hydrated constituents of cement paste, their associated deformation and failure. The molecular level atomic structure for CSH can be represented by Jennite mineral structure. Jennite has been widely accepted by researchers and is typically used to represent the molecular structure of the CSH gel formed during the hydration of cement clinkers. This paper will focus on our recent work on the shear and compressive deformation and failure behavior of CSH represented by Jennite mineral structure that has been widely accepted by researchers and is typically used to represent the molecular structure of CSH formed during the hydration of cement clinkers. The deformation and failure behavior under shear and compression loading deformation in traditional hydrated CSH; effect of material chemistry changes on the predicted stress-strain behavior, transition from linear to non-linear behavior and identify the on-set of failure based on material chemistry structures of CSH Jennite and changes in its chemistry structure will be discussed.

Keywords: cementitious materials, deformation, failure, material chemistry modeling

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Authors: Yogesh Kumar Tiwari

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Chhattisgarh has realized the fundamental role of information and communication technology in the globalized world where knowledge is at the top for the growth and intellectual development. They are spreading so widely that one feels lagging behind if not using them. The influence of these radiating and technological tools has encompassed all aspects of the educational, business, and economic sectors of our world. Undeniably the computer has not only established itself globally in all walks of life but has acquired a fundamental role of paramount importance in the educational process also. This role is getting all pervading and more powerful as computers are being manufactured to be cheaper, smaller in size, adaptable and easy to handle. Computers are becoming indispensable to teachers because of their enormous capabilities and extensive competence. This study aims at observing the effect of using computer based software program of English language on the achievement of undergraduate level students studying in tribal area like Sarguja Division, Chhattisgarh, India. To testify the effect of an innovative teaching in the graduate classroom in tribal area 50 students were randomly selected and separated into two groups. The first group of 25 students were taught English grammar i.e., passive voice/narration, through traditional method using chalk and blackboard asking some formal questions. The second group, the experimental one, was taught English grammar i.e., passive voice/narration, using computer, projector with power point presentation of grammatical items. The statistical analysis was done on the students’ learning capacities and achievement. The result was extremely mesmerizing not only for the teacher but for taught also. The process of the recapitulation demonstrated that the students of experimental group responded the answers of the questions enthusiastically with innovative sense of learning. In light of the findings of the study, it was recommended that teachers and professors of English ought to use self-made instructional program in their teaching process particularly in tribal areas.

Keywords: achievement computer assisted language learning, use of instructional program

Procedia PDF Downloads 133

Authors: Charlotte-Rose Kennedy

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In a political climate divided by Brexit, it is crucial to be critical of the press, as it is the apparatus which political authorities use to impose their laws and shape public opinion. Although large protests have the power to shake and disrupt policy-making by making it difficult for governments to ignore their goals, the British press historically constructs protesters as delegitimate, deviant, and criminal, which could limit protests’ credibility and democratic power. This paper explores how the remain supporting daily UK press (The Mirror, Financial Times, The Independent, The Guardian) and the leave supporting daily UK press (The Daily Mail, The Daily Star, The Sun, The Express, The Telegraph) discursively constructed every pro- and anti-Brexit demonstration from 2016 to 2019. 702 instances of the terms ‘protester’, ‘protesters’, ‘protestor’ and ‘protestors’ were analyzed through both transitivity analysis and critical discourse analysis. This mixed-methods approach allowed for the analysis of how the UK press perpetuated and upheld social ideologies about protests through their specific grammatical and language choices. The results of this analysis found that both remain and leave supporting press utilized the same discourses to report on protests they oppose and protests they support. For example, the remain backing The Mirror used water metaphors regularly associated with influxes of refugees and asylum seekers to support the protesters on the remain protest ‘Final Say’, and oppose the protesters on the leave protest ‘March to Leave’. Discourses of war, violence, and victimhood are also taken on by both sides of the press Brexit debate and are again used to support and oppose the same arguments. Finally, the paper concludes that these analogous discourses do nothing to help the already marginalized social positions of protesters in the UK and could potentially lead to reduced public support for demonstrations. This could, in turn, facilitate the government in introducing increasingly restrictive legislation in relation to freedom of assembly rights, which could be detrimental to British democracy.

Keywords: Brexit, critical discourse analysis, protests, transitivity analysis, UK press

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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: Yavuz Arat, Ugur Tuztasi, Mehmet Uysal

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Anatolia has been the host of many civilizations and a site where architectural structures of many cultural layers were interpreted. Most significantly the Turks who settled in Central Asia brought their architectural dynamics and cultural accumulation to Anatolia after the 12th century. The tomb structures first observed in Central Asia under the influence of Islamic faith and Turkish cultural heritage has blossomed under Great Seljuk Empire and with the Anatolian Seljuk Empire these tombs changed both in size and form with rich and beautiful samples from Ahlat to Sivas to Kayseri and Konya. This tomb tradition which started during 13th century has continued during the Ottoman Empire period with some alterations of form and evolved into the rarely observed mausoleum type tombs. The Ottoman tradition of building tombs inside mosque gardens and their forms present the clues of an important burial tradition. However this understanding was abandoned in 20th century Turkey. This tradition was abandoned with regard to legal regulations and health conditions. This study investigates the vestiges of this tradition and its spatial reflections over a sample. The present sample is representative of a tradition that started in 1970s and the case of building tombs inside mosque gardens will be illustrated over the tomb of Hacı Kemal Onsun and his wife which is located in Konya, the capital of the Anatolian Seljuks. The building process of this tomb will be evaluated with regard to burial traditions and architectural stylization.

Keywords: tomb, language of architectural form, Anatolian Seljuk tombs, Ottoman tombs

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Authors: Tom Elias, Kiran G. Shirlal

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Coastal erosion is one of the major issue faced by maritime countries, globally. More than 1200 km stretch of Indian coastline is marked eroding. There have been numerous attempts to impede the erosion rate and to attain equilibrium beach profiles. High cost and unavailability of natural rocks forced coastal engineers to find alternatives for conventional hard options like seawalls and groynes. Geosynthetic containment systems, emerged in the mid 20th century proved promising in catering coastal protection in countries like Australia, Germany and United States. The present study aims at reviewing Indian timeline of protection works that uses geosynthetic containment systems. Indian exploration regarding geosynthetic containment system dates back to early 2000s. Generally, protection structures use geosynthetics in the form of Geotubes, Geocontainers, and Geobags with Geotubes being most widely used in the form of submerged reefs, seawalls, groynes and breakwaters. Sand and dredged waste are used to fill these containment systems with calculated sand fill ratio. Reviewing the prominent protection works constructed in the east and west coast of India provides an insight into benefits and the difficulties faced by the practical installation. Initially, geosynthetic structures were considered as a temporary protection method prior to the construction of some other hard structure. Later Dahanu, Hamala and Pentha experiences helped in establishing geotubes as an alternative to conventional structures. Nearshore geotubes reefs aimed to attain equilibrium beach served its purpose in Hamala and Dahanu, Maharashtra, while reef constructed at Candolim, Goa underwent serious damage due to Toe Scour. In situ filling by pumping of sand slurry as in case of Shankarpur Seawall, West Bengal remains as a major concern. Geosynthetic systems supplemented by gabions and rock armours improves the wave dissipation, stability and reflection characteristics as implied in Pentha Coast, Odisha, Hazira, Gujarat and Uppada, Andhra Pradesh. Keeping improper design and deliberate destruction by vandals apart, geosynthetic containment systems offer a cost-effective alternative to conventional coastal protection methods in India. Additionally, geosynthetics supports marine growth in its surface which enhances its demand as an eco-friendly material and encourages usage.

Keywords: coastal protection, geotubes, geobags, geocontainers

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Authors: Ernest Nweke

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The work of Professional Accountants and Corporate governance are synonymous and cannot be divorced from each other. Organizations, profit and non-profit alike cannot implement sound corporate practices without inputs from Professional Accountants. In today’s dynamic corporate world, good corporate governance practice is a sine qua non. More so, following the corporate failures of the past decades like Enron and WorldCom, governments around the world, including Mongolia are becoming more proactive in ensuring sound corporate governance mechanisms. In the past fifteen years, the Mongolian government has taken several measures to establish and strengthen internal corporate governance structures in firms. This paper highlights the role of professional accountants and auditors play in ensuring that good corporate governance mechanisms are entrenched in listed companies in Mongolia. Both primary and secondary data are utilized in this research. In collection of primary data, Delphi method was used, securing responses from only knowledgeable senior employees, top managers, and some CEOs. Using this method, a total of 107 top-level company employees and executives randomly selected from 22 companies were surveyed; maximum of 5 and minimum of 4 from each company. These companies cut across several sectors. It was concluded that Professional Accountants play key roles in setting and maintaining firm governance. They do this by ensuring full compliance with all the requirements of good and sound corporate governance, establishing reporting, monitoring and evaluating standards, assisting in the setting up of proper controls, efficient and effective audit systems, sound fraud risk management and putting in place an overall vision for the enterprise. Companies with effective corporate governance mechanisms are usually strong and fraud-resilient. It was also discovered that companies with big 4 audit firms tend to have better governance structures in Mongolia.

Keywords: accountants, corporate disclosure, corporate failure, corporate governance

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Authors: N. Attari, S. Amziane, M. Chemrouk

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A large number of old buildings have been identified as having potentially critical detailing to resist earthquakes. The main reinforcement of lap-spliced columns just above the joint region, discontinuous bottom beam reinforcement, and little or no joint transverse reinforcement are the most critical details of interior beam column joints in such buildings. This structural type constitutes a large share of the building stock, both in developed and developing countries, and hence it represents a substantial exposure. Direct observation of damaged structures, following the Algiers 2003 earthquake, has shown that damage occurs usually at the beam-column joints, with failure in bending or shear, depending on geometry and reinforcement distribution and type. While substantial literature exists for the design of concrete frame joints to withstand this type of failure, after the earthquake many structures were classified as slightly damaged and, being uneconomic to replace them, at least in the short term, suitable means of repairs of the beam column joint area are being studied. Furthermore; there exists a large number of buildings that need retrofitting of the joints before the next earthquake. The paper reports the results of the experimental programme, constituted of three beam-column reinforced concrete joints at a scale of one to three (1/3) tested under the effect of a pre-stressing axial load acting over the column. The beams were subjected at their ends to an alternate cyclic loading under displacement control to simulate a seismic action. Strain and cracking fields were monitored with the help a digital recording camera. Following the analysis of the results, a comparison can be made between the performances in terms of ductility, strength and mode of failure of the different strengthening solution considered.

Keywords: fibre reinforced polymers, joints, reinforced concrete, beam columns

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Authors: Daniel Llanes, Alfredo Reyes, Sonia E. Ruiz, Federico Valenzuela Beltran

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Steel frames have been used in building construction for more than one hundred years. Beam-column may be connected to columns using either stiffened or unstiffened angles at the top and bottom beam flanges. Designers often assume that these assemblies acted as “pinned” connections for gravity loads and that the stiffened connections would act as “fixed” connections for lateral loads. Observation of damages sustained by buildings during the 1994 Northridge earthquake indicated that, contrary to the intended behavior, in many cases, brittle fractures initiated within the connections at very low levels of plastic demand, and in some cases, while the structures remained essentially elastic. Due to the damage presented in these buildings other type of alternative connections have been proposed. According to a research funded by the Federal Emergency Management Agency (FEMA), the screwed connections have better performance when they are subjected to cyclic loads, but at the same time, these connections have some degree of flexibility. Due to this situation, some researchers ventured into the study of semi-rigid connections. In the present study three steel buildings, constituted by regular frames are analyzed. Two types of connections are considered: pinned and semi-rigid connections. With the aim to estimate their structural capacity, a number of incremental dynamic analyzes are performed. 3D structural models are used for the analyses. The seismic ground motions were recorded on sites near Los Angeles, California, where the structures are supposed to be located. The vulnerability curves of the building are obtained in terms of maximum inter-story drifts. The vulnerability curves (which correspond to the models with two different types of connections) are compared, and its implications on its structural design and performance is discussed.

Keywords: steel frame Buildings, vulnerability curves, semi-rigid connections, pinned connections

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Authors: Fu Jia

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The effects of soil-structure interaction (SSI) are often studied using axial-symmetric three-dimensional (3D) models to avoid the high computational cost of the more realistic, fully 3D models, which require 2-3 orders of magnitude more computer time and storage. This paper analyzes the error and presents correction factors for system frequency, system damping, and peak amplitude of structural response computed by axisymmetric models, embedded in uniform or layered half-space. The results are compared with those for fully 3D rectangular foundations of different aspect ratios. Correction factors are presented for a range of the model parameters, such as fixed-base frequency, structure mass, height and length-to-width ratio, foundation embedment, soil-layer stiffness and thickness. It is shown that the errors are larger for stiffer, taller and heavier structures, deeper foundations and deeper soil layer. For example, for a stiff structure like Millikan Library (NS response; length-to-width ratio 1), the error is 6.5% in system frequency, 49% in system damping and 180% in peak amplitude. Analysis of a case study shows that the NEHRP-2015 provisions for reduction of base shear force due to SSI effects may be unsafe for some structures and need revision. The presented correction factor diagrams can be used in practical design and other applications.

Keywords: 3D soil-structure interaction, correction factors for axisymmetric models, length-to-width ratio, NEHRP-2015 provisions for reduction of base shear force, rectangular embedded foundations, SSI system frequency, SSI system damping

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Authors: H. Nikzad, S. Yoshitomi

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In this paper, the optimal seismic design of reinforced concrete shear wall-frame building structures was done using structural optimization. The optimal section sizes were generated through structural optimization based on linear static analysis conforming to American Concrete Institute building design code (ACI 318-14). An analytical procedure was followed to validate the accuracy of the proposed method by comparing stresses on structural members through output files of MATLAB and ETABS. In order to consider the difference of stresses in structural elements by ETABS and MATLAB, and to avoid over-stress members by ETABS, a stress constraint ratio of MATLAB to ETABS was modified and introduced for the most critical load combinations and structural members. Moreover, seismic design of the structure was done following the International Building Code (IBC 2012), American Concrete Institute Building Code (ACI 318-14) and American Society of Civil Engineering (ASCE 7-10) standards. Typical reinforcement requirements for the structural wall, beam and column were discussed and presented using ETABS structural analysis software. The placement and detailing of reinforcement of structural members were also explained and discussed. The outcomes of this study show that the modification of section sizes play a vital role in finding an optimal combination of practical section sizes. In contrast, the optimization problem with size constraints has a higher cost than that of without size constraints. Moreover, the comparison of optimization problem with that of ETABS program shown to be satisfactory and governed ACI 318-14 building design code criteria.

Keywords: structural optimization, seismic design, linear static analysis, etabs, matlab, rc shear wall-frame structures

Procedia PDF Downloads 155

Authors: Xiujuan Qiao

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Cities worldwide are increasingly adopting sustainable stormwater solutions such as using green infrastructure to mitigate challenges related to stormwater, e.g., pluvial flooding, and stormwater pollution. Barriers caused by governance factors have been identified as the main reason for the slow pace of sustainable stormwater management implementation. In this study, we examined governance factors influencing local implementation in four case cities: Lund and Malmö, Sweden, and Xi’xian New Area and Zhenjiang, China. Based on systems thinking of interrelations between previously identified influencing governance factors in sustainable stormwater management (SSM), we developed a causal loop diagram (SSM-CLD) and used it to analyze 23 semi-structured interviews with local government officers in the four case cities. Based on the results, we created one SSM-CLD for each country and analyzed the main differences between these four SSM-CLDs. The results revealed that differences in governance structures can lead to differences in the influencing governance factors. In top-down political systems, e.g., China, the role of national policy in setting local leaders’ priorities is significant for SSM implementation. In political systems with more power devolved to local governments, e.g., Sweden, public awareness and local government politicians’ priorities are important for SSM implementation. Acquiring funding for long-term maintenance was identified as a challenge in all four cities studied. These results are relevant for policymakers, local government departments, consultancy companies, and researchers seeking a better understanding of how governance factors influence sustainable stormwater management.

Keywords: sustainable stormwater management, causal loop diagram, governance structures, local government priorities, public awareness, maintenance

Procedia PDF Downloads 237

Authors: Sa`ad M. Ismail, Hung-Hsun Yen, Christina M. Murray, Helen M. S. Davies

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The lumbosacral junction (where the 7th lumbar vertebra (L7) articulates with the sacrum) is a clinically important area in the dog. The 7th lumbar vertebra (L7) is normally shorter than other lumbar vertebrae, and it has been reported that variations in the L7 length may be associated with other abnormal anatomical findings. These variations included the reduction or absence of the portion of the median sacral crest. In this study, 53 greyhound cadavers were placed in right lateral recumbency, and two lateral radiographs were taken of the lumbosacral region for each greyhound. The length of the 6th lumbar (L6) vertebra and L7 were measured using radiographic measurement software and was defined to be the mean of three lines drawn from the caudal to the cranial edge of the L6 and L7 vertebrae (a dorsal, middle, and ventral line) between specific landmarks. Sacrocaudal fusion was found in 41.5% of the greyhounds. The mean values of the length of L6, L7, and the ratio of the L6/L7 length of the greyhounds with sacrocaudal fusion were all greater than those with standard sacrums (three sacral vertebrae). There was a significant difference (P < 0.05) in the mean values of the length of L7 between the greyhounds without sacrocaudal fusion (mean = 29.64, SD ± 2.07) and those with sacrocaudal fusion (mean = 30.86, SD ± 1.80), but, there was no significant difference in the mean value of the length of the L6 measurement. Among different types of sacrocaudal fusion, the longest L7 was found in greyhounds with sacrum type D, intermediate length in those with sacrum type B, and the shortest was found in those with sacrums type C, and the mean values of the ratio of the L6/L7 were 1.11 (SD ± 0.043), 1.15, (SD ± 0.025), and 1.15 (SD ± 0.011) for the types B, C, and D respectively. No significant differences in the mean values of the length of L6 or L7 were found among the different types of sacrocaudal fusion. The occurrence of sacrocaudal fusion might affect direct anatomically connected structures such as the L7. The variation in the length of L7 between greyhounds with sacrocaudal fusion and those without may reflect the possible sequences of the process of fusion. Variations in the length of the L7 vertebra in greyhounds may be associated with the occurrence of sacrocaudal fusion. The variation in the vertebral length may affect the alignment and biomechanical properties of the sacrum and may alter the loading. We concluded that any variations in the sacrum anatomical features might change the function of the sacrum or the surrounding anatomical structures.

Keywords: biomechanics, Greyhound, sacrocaudal fusion, locomotion, 6th Lumbar (L6) Vertebra, 7th Lumbar (L7) Vertebra, ratio of the L6/L7 length

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Authors: O. I. H. Dimitry, N. A. Mansour, A. L. G. Saad

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Natural sodium montmorillonite (NaMMT), Cloisite Na⁺ and two organophilic montmorillonites (OMMTs), Cloisites 20A and 15A were used. Polycaprolactone (PCL)/MMT composites containing 1, 3, 5, and 10 wt% of Cloisite Na⁺ and PCL/OMMT nanocomposites containing 5 and 10 wt% of Cloisites 20A and 15A were prepared via solution intercalation technique to study the influence of organic modifier loading on particle dispersion of PCL/ NaMMT composites. Thermal stabilities of the obtained composites were characterized by thermal analysis using the thermogravimetric analyzer (TGA) which showed that in the presence of nitrogen flow the incorporation of 5 and 10 wt% of filler brings some decrease in PCL thermal stability in the sequence: Cloisite Na+>Cloisite 15A > Cloisite 20A, while in the presence of air flow these fillers scarcely influenced the thermoxidative stability of PCL by slightly accelerating the process. The interaction between PCL and silicate layers was studied by Fourier transform infrared (FTIR) spectroscopy which confirmed moderate interactions between nanometric silicate layers and PCL segments. The electrical conductivity (σ) which describes the ionic mobility of the systems was studied as a function of temperature and showed that σ of PCL was enhanced on increasing the modifier loading at filler content of 5 wt%, especially at higher temperatures in the sequence: Cloisite Na⁺<Cloisite 20A<Cloisite 15A, and was then decreased to some extent with a further increase to 10 wt%. The activation energy E_σ obtained from the dependency of σ on temperature using Arrhenius equation was found to be lowest for the nanocomposite containing 5 wt% of Cloisite 15A. The dispersed behavior of clay in PCL matrix was evaluated by X-ray diffraction (XRD) and scanning electron microscopy (SEM) analyses which revealed partial intercalated structures in PCL/NaMMT composites and semi-intercalated/semi-exfoliated structures in PCL/OMMT nanocomposites containing 5 wt% of Cloisite 20A or Cloisite 15A.

Keywords: electrical conductivity, montmorillonite, nanocomposite, organoclay, polycaprolactone

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Authors: Juan Carlos Rubio Romero, Francico Salguero Caparros, Virginia Herrera-Pérez

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No one is in the slightest doubt about the high levels of risk involved in work in the construction industry. They are even higher in structural construction work. The Critical Decision Method (CDM) is a semi-structured interview technique that uses cognitive tests to identify the different disturbances that workers have to deal with in their work activity. At present, the vision of safety focused on daily performance and things that go well for safety and health management is facing the new paradigm known as Resilience Engineering. The aim of this study has been to describe the variability in formwork labour on concrete structures in the construction industry and, from there, to find out the resilient attitude of workers to unexpected events that they have experienced during their working lives. For this purpose, a series of semi-structured interviews were carried out with construction employees with extensive experience in formwork labour in Spain by applying the Critical Decision Method. This work has been the first application of the Critical Decision Method in the field of construction and, more specifically, in the execution of structures. The results obtained show that situations categorised as unthought-of are identified to a greater extent than potentially unexpected situations. The identification during these interviews of both expected and unexpected events provides insight into the critical decisions made and actions taken to improve resilience in daily practice in this construction work. From this study, it is clear that it is essential to gain more knowledge about the nature of the human cognitive process in work situations within complex socio-technical systems such as construction sites. This could lead to a more effective design of workplaces in the search for improved human performance.

Keywords: resilience engineering, construction industry, unthought-of situations, critical decision method

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Authors: Albert Oluwole Uzodimma Authority

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Nigeria is a diverse nation with a rich cultural heritage that has produced numerous art musicians and a vast range of art songs. The compositional styles, tonal rhythm, text rhythm, word painting, and text-tone relationship vary extensively from one dialect to another, indicating the need for standardized tools for the structural and analytical deconstruction of Nigerian indigenous art music. The purpose of this research is to examine the structures of Nigerian indigenous art music and outline some crucibles for analyzing it, by investigating how dialectical inflection influences the choice of text tone, scale mode, tonal rhythm, and the general ambiance of Nigerian art music. The research used a structured questionnaire to collect data from 50 musicologists, out of which 41 responded. The study's focus was on the works of two prominent twentieth-century composers, Stephen Olusoji, and Nwamara Alvan-Ikoku, titled "Oyigiyigi" and "O Chineke, Inozikwa omee," respectively. The data collected was presented in percentages using pie charts and tables. The study shows that in Nigerian Indigenous music, several aspects are to be considered for proper analysis, such as linguistic sensitivity, dialectical inflection influences text-tone relationship, text rhythm and tonal rhythm, which help to convey the proper meanings of messages in songs. It also highlights the lack of standardized rubrics for analysis, which necessitated the proposal of robust criteria for analyzing African music, known as Neo-Eclectic-Crucibles. Hinging on eclectic approach, this research makes significant contributions to music scholarship by addressing the need for standardized tools and crucibles for the structural and analytical deconstruction of Nigerian indigenous art music. It provides a template for further studies leading to standardized rubrics for analyzing African music. This research collected data through a structured questionnaire and analyzed it using pie charts and tables to present the findings accurately. The analysis focused on the respondents' perspectives on the research objectives and structural analysis of two indigenous music compositions by Olusoji and Nwamara. This research answers the questions on the structures and analytical crucibles used in Nigerian indigenous art music, how dialectical inflection influences text-tone relationship, scale mode, tonal rhythm, and the general ambiance of Nigerian art music. This paper demonstrates the need for standardized tools and crucibles for the structural and analytical deconstruction of Nigerian indigenous art music. It highlights several aspects that are crucial to analyzing Nigerian indigenous music and proposes the Neo-Eclectic-Crucibles criteria for analyzing African music. The contribution of this research to music scholarship is significant, providing a template for further studies and research in the field.

Keywords: art-music, crucibles, dialectical inflections, indigenous, text-tone, tonal rhythm, word-painting

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Authors: Opeyemi Atiba-Oyewo, Maurice S. Onya, Christian Wolkersdorfer

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Nanostructure formation and characterization of eco-friendly banana peels nanosorbent are thoroughly described in this paper. The transformation of material during mechanical milling to enhance certain properties such as changes in microstructure and surface area to solve the current problems involving water pollution and water quality were studied. The mechanical milling was employed using planetary continuous milling machine and ethanol as process control agent, the sample were taken at time interval between 10 h to 30 h to examine the structural changes. The samples were characterised by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infra-red (FTIR), Transmission electron microscopy (TEM) and Brunauer Emmett and teller (BET). Results revealed that the three typical structures with different grain-size, lattice strain and shapes were observed, and the deformation mechanisms in these structures were found to be different, further particles fracturing results to surface area increment which was confirmed by Brunauer Emmett and teller (BET) analysis. X-ray diffraction (XRD) shows high densities of dislocations in large crystallites, implying that dislocation slip is the dominant deformation mechanism. Scanning electron microscopy revealed the morphological properties of the materials at different milling time, nanostructure of the particles and fibres were confirmed by Transmission electron microscopy and FT-IR identified the functional groups responsible for its capacity to coordinate and remove metal ions, such as the carboxylic and amine groups at absorption bands of 1730 and 889 cm-1, respectively. However, the choice of this sorbent material for the sorption of any contaminants will depend on the composition of the effluent to be treated.

Keywords: banana peels, eco-friendly, mechanical milling, nanosorbent, nanostructure water quality

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Authors: Sara Fioretti

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During the Middle Bronze Age, southern Italy underwent a reorganisation of social structures where local cultures, such as the sub-Apennine and Nuragic, flourished and participated in maritime trade. This paper explores the socio-economic relationships, in both cross-cultural and potentially inter-regional settings, present within the archaeological repertoire of the southern Italian Late Bronze Age (LBA 1600 -1050 BCE). The emergence of economic relations within the connectivity of the regional settlements is explored through ceramic contexts found in the case studies Punta di Zambrone, Broglio di Trebisacce, and Nuraghe Antigori. This paper discusses the findings of a statistical and theoretical approach from an ongoing study in relation to the Mediterranean’s characterisation as a period dominated by Mycenaean influence. This study engages with a theoretical bricolage of Social Networks Entanglement, and Assertive Objects Theory to address the selective and assertive dynamics evident in the cross-cultural trade exchanges as well as consider inter-regional dynamics. Through this intersection of theory and statistical analysis, the case studies establish a small percentage of pottery as imported, whilst assertive productions have a relatively higher quantity. Overall, the majority still adheres to regional Italian traditions. Therefore, we can dissect the rhizomatic relationships cultivated by the Italian coasts and Mycenaeans and their roles within their networks through the intersection of theoretical and statistical analysis. This research offers a new perspective on the complex nature of the Late Bronze Age relational structures.

Keywords: late bronze age, mediterranean archaeology, exchanges and trade, frequency distribution of ceramic assemblages, social network theory, rhizomatic exchanges

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Authors: S. H. J. Liu

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This paper aims to explore the role of peer Corrective Feedback (CF) in improving written productions by English-as-a- foreign-language (EFL) learners who work together via Wikispaces. It attempted to determine the effect of peer CF on form accuracy in English, such as grammar and lexis. Thirty-four EFL learners at the tertiary level were randomly assigned into the experimental (with peer feedback) or the control (without peer feedback) group; each group was subdivided into small groups of two or three. This resulted in six and seven small groups in the experimental and control groups, respectively. In the experimental group, each learner played a role as an assessor (providing feedback to others), as well as an assessee (receiving feedback from others). Each participant was asked to compose his/her written work and revise it based on the feedback. In the control group, on the other hand, learners neither provided nor received feedback but composed and revised their written work on their own. Data collected from learners’ compositions and post-task interviews were analyzed and reported in this study. Following the completeness of three writing tasks, 10 participants were selected and interviewed individually regarding their perception of collaborative learning in the Computer-Mediated Communication (CMC) environment. Language aspects to be analyzed included lexis (e.g., appropriate use of words), verb tenses (e.g., present and past simple), prepositions (e.g., in, on, and between), nouns, and articles (e.g., a/an). Feedback types consisted of CF, affective, suggestive, and didactic. Frequencies of feedback types and the accuracy of the language aspects were calculated. The results first suggested that accurate items were found more in the experimental group than in the control group. Such results entail that those who worked collaboratively outperformed those who worked non-collaboratively on the accuracy of linguistic aspects. Furthermore, the first type of CF (e.g., corrections directly related to linguistic errors) was found to be the most frequently employed type, whereas affective and didactic were the least used by the experimental group. The results further indicated that most participants perceived that peer CF was helpful in improving the language accuracy, and they demonstrated a favorable attitude toward working with others in the CMC environment. Moreover, some participants stated that when they provided feedback to their peers, they tended to pay attention to linguistic errors in their peers’ work but overlook their own errors (e.g., past simple tense) when writing. Finally, L2 or FL teachers or practitioners are encouraged to employ CMC technologies to train their students to give each other feedback in writing to improve the accuracy of the language and to motivate them to attend to the language system.

Keywords: peer corrective feedback, computer-mediated communication (CMC), second or foreign language (L2 or FL) learning, Wikispaces

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Authors: Lian Song, Shao-Bo Kang, Bo Yang

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Concrete filled steel tubular (CFST) structure has been widely used in construction practices due to its superior performances under various loading conditions. However, limited studies are available when this type of structure is subjected to impact or explosive loads. Current methods in relevant design codes are not specific for preventing progressive collapse of CFST structures. Therefore, it is necessary to carry out numerical simulations on CFST structure under impact loads. In this study, finite element analyses are conducted on the mechanical behaviour of composite frames which composed of CFST columns and steel beams subject to impact loading. In the model, CFST columns are simulated using finite element software ABAQUS. The model is verified by test results of solid and hollow CFST columns under lateral impacts, and reasonably good agreement is obtained through comparisons. Thereafter, a multi-scale finite element modelling technique is developed to evaluate the behaviour of a five-storey three-span planar composite frame. Alternate path method and direct simulation method are adopted to perform the dynamic response of the frame when a supporting column is removed suddenly. In the former method, the reason for column removal is not considered and only the remaining frame is simulated, whereas in the latter, a specific impact load is applied to the frame to take account of the column failure induced by vehicle impact. Comparisons are made between these two methods in terms of displacement history and internal force redistribution, and design recommendations are provided for the design of CFST structures under impact loads.

Keywords: planar composite frame, collapse analysis, impact loading, direct simulation method, alternate path method

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Authors: Amare Setegn Enyew, Bikila Teklu Wodajo

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The primary aim of flexible pavement design is to ensure the development of economical and safe road infrastructure. However, failures can still occur due to improper or erroneous structural design. In Ethiopia, the design of flexible pavements relies on doing calculations manually and selecting pavement structure from catalogue. The catalogue offers, in eight different charts, alternative structures for combinations of traffic and subgrade classes, as outlined in the Ethiopian Roads Authority (ERA) Pavement Design Manual 2001. Furthermore, design modification is allowed in accordance with the structural number principles outlined in the AASHTO 1993 Guide for Design of Pavement Structures. Nevertheless, the manual calculation and design process involves the use of nomographs, charts, tables, and formulas, which increases the likelihood of human errors and inaccuracies, and this may lead to unsafe or uneconomical road construction. To address the challenge, a software called AASHERA has been developed for AASHTO 1993 and ERA design methods, using MATLAB language. The software accurately determines the required thicknesses of flexible pavement surface, base, and subbase layers for the two methods. It also digitizes design inputs and references like nomographs, charts, default values, and tables. Moreover, the software allows easier comparison of the two design methods in terms of results and cost of construction. AASHERA's accuracy has been confirmed through comparisons with designs from handbooks and manuals. The software can aid in reducing human errors, inaccuracies, and time consumption as compared to the conventional manual design methods employed in Ethiopia. AASHERA, with its validated accuracy, proves to be an indispensable tool for flexible pavement structure designers.

Keywords: flexible pavement design, AASHTO 1993, ERA, MATLAB, AASHERA

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Authors: Kanduru Lokesh, Venkitasamy Kesavan

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The unique structural features of spiro-oxindoles with diverse biological activities have made them privileged structures in new drug discovery. The key structural characteristic of these compounds is the spiro ring fused at the C-3 position of the oxindole core with varied heterocyclic motifs. Structural diversification of heterocyclic scaffolds to synthesize new chemical entities as pharmaceuticals and agrochemicals is one of the important goals of synthetic organic chemists. Nitrogen and oxygen containing heterocycles are by far the most widely occurring privileged structures in medicinal chemistry. The structural complexity and distinct three-dimensional arrangement of functional groups of these privileged structures are generally responsible for their specificity against biological targets. Structurally diverse compound libraries have proved to be valuable assets for drug discovery against challenging biological targets. Thus, identifying a new combination of substituents at C-3 position on oxindole moiety is of great importance in drug discovery to improve the efficiency and efficacy of the drugs. The development of suitable methodology for the synthesis of spiro-oxindole compounds has attracted much interest often in response to the significant biological activity displayed by the both natural and synthetic compounds. So creating structural diversity of oxindole scaffolds is need of the decade and formidable challenge. A general way to improve synthetic efficiency and also to access diversified molecules is through the annulation reactions. Annulation reactions allow the formation of complex compounds starting from simple substrates in a single transformation consisting of several steps in an ecologically and economically favorable way. These observations motivated us to develop the annulation reaction protocol to enable the synthesis of a new class of spiro-oxindole motifs which in turn would enable the enhancement of molecular diversity. As part of our enduring interest in the development of novel, efficient synthetic strategies to enable the synthesis of biologically important oxindole fused spirocarbocyclic systems, We have developed an efficient methodology for the construction of highly functionalized spirocarbocyclic oxindoles through [4+2] annulation of phthalides via Hauser annulation. functionalized spirocarbocyclic oxindoles was accomplished for the first time in the literature using Hauser annulation strategy. The reaction between methyleneindolinones and arylsulfonylphthalides catalyzed by cesium carbonate led to the access of new class of biologically important spiro[indoline-3,2'-naphthalene] derivatives in very good yields. The synthetic utility of the annulated product was further demonstrated by fluorination Using NFSI as a fluorinating agent to furnish corresponding fluorinated product.

Keywords: Hauser-Kraus annulation, spiro carbocyclic oxindoles, oxindole-ester, fluoridation

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Authors: Ali Berk Bozan, Reşat Atalay Oyguç

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The demand for precast reinforced concrete (RC) structures is growing, considering their certain benefits, including faster assembly, homogeneous materials, and high-quality labor. The structural integrity of precast reinforced concrete (RC) constructions is influenced by the effectiveness of the joints and connections. This paper contains an analytical study about four types of precast reinforced concrete frames, which vary according to the number of storeys and the number of bays with two different types of moment-resisting beam-to-column connection is investigated under cyclic displacement loading up to 5.6% drift rate by using ABAQUS software. The first connection type is the widely used moment-resisting connection that is defined as a wet connection in Turkish Seismic Code (TBDY). The second connection type is known as Artificial Controllable Plastic Hinge. The goal of this connection is to defend reinforced concrete components from earthquake-related plastic deformations by keeping them in a specialized connecting section. It will be possible to repair the broken connections after the earthquake. The cyclic behavior of the four types of frames with the mechanical plastic hinge and wet connection was analytically investigated, and then comparisons and suggestions were made on period, ductility, and structural system behavior coefficient. The analytical study shows that the replaceable plastic hinge element provides a significant period increase. Especially in the case of two storeys and two bays, the change in the period was felt the most compared to other frames. The results for ductility show a significant change in the ductility of the frames with replaceable plastic hinges. For the structural system behavior coefficient, a recommendation between 3.90 and 4.52 values was made.

Keywords: precast structures, replaceable plastic hinge, beam to column connections, ductility

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Authors: Yotaro Natani

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In his recent works, Frankfurt School theorist Axel Honneth elucidates an intersubjective notion of social freedom and outlines a vision of socialism as the realization of social freedom in the family, market economy, and public sphere. These arguments are part of his broader project of defending the tradition of immanent critique and normative reconstruction. In contrast, American Marxist sociologist Erik Olin Wright spells out a vision of socialism in terms of building real utopias -democratic, egalitarian, alternative institutions- through the exercise of civil society’s social power over the economy and state. Wright identifies ‘eroding capitalism’ as the framework for thinking about the strategic logics of gradually diminishing the dominance of capitalism. Both thinkers envision the transition toward socialism in terms of democratic experimentation; Honneth is more attentive to the immanent norms of social life, whereas Wright is better aware of the power of antagonistic structures. This paper attempts to synthesize the ideas of Honneth and Wright. It will show that Honneth’s critique of capitalism suffers from certain ambiguities because he attributes normative legitimacy to existing institutions, resulting in arguments that do not problematize aspects of capitalist structures. This paper will argue that incorporating the notion of power and thematizing the erosion of capitalism as a long-term goal for socialist change will allow Honneth to think more precisely about the conditions for realizing social freedom, in a manner that is still consistent with the immanent critique tradition. Such reformulation will result in a concept of social freedom that is less static and rooted in functional teleology and more oriented toward creative agency and experimental democracy.

Keywords: Axel Honneth, immanent critique, real utopias, social freedom, socialism

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Authors: Magu Raam Prasaad R., Venkatramani Jagadish

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Recent studies in the literature have shown that randomly fluctuating wind flows can give rise to a distinct regime of pre-flutter oscillations called intermittency. Intermittency is characterized by the presence of sporadic bursts of high amplitude oscillations interspersed amidst low-amplitude aperiodic fluctuations. The focus of this study is on investigating the energy harvesting potential of these intermittent oscillations. Available literature has by and large devoted its attention on extracting energy from flutter oscillations. The possibility of harvesting energy from pre-flutter regimes have remained largely unexplored. However, extracting energy from violent flutter oscillations can be severely detrimental to the structural integrity of airfoil structures. Consequently, investigating the relatively stable pre-flutter responses for energy extraction applications is of practical importance. The present study is devoted towards addressing these concerns. A pitch-plunge airfoil with cubic hardening nonlinearity in the plunge and pitch degree of freedom is considered. The input flow fluctuations are modelled using a sinusoidal term with randomly perturbed frequencies. An electromagnetic coupling is provided to the pitch-plunge equations, such that, energy from the wind induced vibrations of the structural response are extracted. With the mean flow speed as the bifurcation parameter, a fourth order Runge-Kutta based time marching algorithm is used to solve the governing aeroelastic equations with electro-magnetic coupling. The harnessed energy from the intermittency regime is presented and the results are discussed in comparison to that obtained from the flutter regime. The insights from this study could be useful in health monitoring of aeroelastic structures.

Keywords: aeroelasticity, energy harvesting, intermittency, randomly fluctuating flows

Procedia PDF Downloads 173

Authors: Engy S. El-Kayal, Mohamed M. S. Arafa

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There are various causes of ankle pain including traumatic and non-traumatic causes. Various imaging techniques are available for assessment of AP. MRI is considered to be the imaging modality of choice for ankle joint evaluation with an advantage of its high spatial resolution, multiplanar capability, hence its ability to visualize small complex anatomical structures around the ankle. However, the high costs and the relatively limited availability of MRI systems, as well as the relatively long duration of the examination all are considered disadvantages of MRI examination. Therefore there is a need for a more rapid and less expensive examination modality with good diagnostic accuracy to fulfill this gap. HRU has become increasingly important in the assessment of ankle disorders, with advantages of being fast, reliable, of low cost and readily available. US can visualize detailed anatomical structures and assess tendinous and ligamentous integrity. The aim of this study was to compare the diagnostic accuracy of HRU with MRI in the assessment of patients with AP. We included forty patients complaining of AP. All patients were subjected to real-time HRU and MRI of the affected ankle. Results of both techniques were compared to surgical and arthroscopic findings. All patients were examined according to a defined protocol that includes imaging the tendon tears or tendinitis, muscle tears, masses, or fluid collection, ligament sprain or tears, inflammation or fluid effusion within the joint or bursa, bone and cartilage lesions, erosions and osteophytes. Analysis of the results showed that the mean age of patients was 38 years. The study comprised of 24 women (60%) and 16 men (40%). The accuracy of HRU in detecting causes of AP was 85%, while the accuracy of MRI in the detection of causes of AP was 87.5%. In conclusions: HRU and MRI are two complementary tools of investigation with the former will be used as a primary tool of investigation and the latter will be used to confirm the diagnosis and the extent of the lesion especially when surgical interference is planned.

Keywords: ankle pain (AP), high-resolution ultrasound (HRU), magnetic resonance imaging (MRI) ultrasonography (US)

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Authors: Mohannad Mayyas, Farshid Pahlevani, Veena Sahajwalla

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Automotive shredder residue (ASR) is an industrial waste, generated during the recycling process of End-of-life vehicles. The large increasing production volumes of ASR and its hazardous content have raised concerns worldwide, leading some countries to impose more restrictions on ASR waste disposal and encouraging researchers to find efficient solutions for ASR processing. Although a great deal of research work has been carried out, all proposed solutions, to our knowledge, remain commercially and technically unproven. While the volume of waste materials continues to increase, the production of materials from new sustainable sources has become of great importance. Advanced ceramic materials such as nitrides, carbides and borides are widely used in a variety of applications. Among these ceramics, a great deal of attention has been recently paid to Titanium nitride (TiN) owing to its unique characteristics. In our study, we propose a new sustainable approach for ASR management where TiN nanoparticles with ideal particle size ranging from 200 to 315 nm can be synthesized as a by-product. In this approach, TiN is thermally synthesized by nitriding pressed mixture of automotive shredder residue (ASR) incorporated with titanium oxide (TiO2). Results indicated that TiO2 influences and catalyses degradation reactions of ASR and helps to achieve fast and full decomposition. In addition, the process resulted in titanium nitride (TiN) ceramic with several unique structures (porous nanostructured, polycrystalline, micro-spherical and nano-sized structures) that were simply obtained by tuning the ratio of TiO2 to ASR, and a product with appreciable TiN content of around 85% was achieved after only one hour nitridation at 1550 °C.

Keywords: automotive shredder residue, nano-ceramics, waste treatment, titanium nitride, thermal conversion

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Authors: Sara Honarparast, Omar Chaallal

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Reinforced concrete (RC) coupled shear walls (CSWs) are very effective structural systems in resisting lateral loads due to winds and earthquakes and are particularly used in medium- to high-rise RC buildings. However, most of existing old RC structures were designed for gravity loads or lateral loads well below the loads specified in the current modern seismic international codes. These structures may behave in non-ductile manner due to poorly designed joints, insufficient shear reinforcement and inadequate anchorage length of the reinforcing bars. This has been the main impetus to investigate an appropriate strengthening method to address or attenuate the deficiencies of these structures. The objective of this paper is to twofold: (i) evaluate the seismic performance of existing reinforced concrete coupled shear walls under reversed cyclic loading; and (ii) investigate the seismic performance of RC CSWs strengthened with externally bonded (EB) carbon fiber reinforced polymer (CFRP) sheets. To this end, two CSWs were considered as follows: (a) the first one is representative of old CSWs and therefore was designed according to the 1941 National Building Code of Canada (NBCC, 1941) with conventionally reinforced coupling beams; and (b) the second one, representative of new CSWs, was designed according to modern NBCC 2015 and CSA/A23.3 2014 requirements with diagonally reinforced coupling beam. Both CSWs were simulated using ANSYS software. Nonlinear behavior of concrete is modeled using multilinear isotropic hardening through a multilinear stress strain curve. The elastic-perfectly plastic stress-strain curve is used to simulate the steel material. Bond stress–slip is modeled between concrete and steel reinforcement in conventional coupling beam rather than considering perfect bond to better represent the slip of the steel bars observed in the coupling beams of these CSWs. The old-designed CSW was strengthened using CFRP sheets bonded to the concrete substrate and the interface was modeled using an adhesive layer. The behavior of CFRP material is considered linear elastic up to failure. After simulating the loading and boundary conditions, the specimens are analyzed under reversed cyclic loading. The comparison of results obtained for the two unstrengthened CSWs and the one retrofitted with EB CFRP sheets reveals that the strengthening method improves the seismic performance in terms of strength, ductility, and energy dissipation capacity.

Keywords: carbon fiber reinforced polymer, coupled shear wall, coupling beam, finite element analysis, modern code, old code, strengthening

Procedia PDF Downloads 183

Authors: Sanja O. Podunavac-Kuzmanović, Strahinja Z. Kovačević, Lidija R. Jevrić

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Prion is a protein substance whose certain form is considered as infectious agent. It is presumed to be the cause of the transmissible spongiform encephalopathies (TSEs). The protein it is composed of, called PrP, can fold in structurally distinct ways. At least one of those 3D structures is transmissible to other prion proteins. Prions can be found in brain tissue of healthy people and have certain biological role. The structure of prions naturally occurring in healthy organisms is marked as PrPc, and the structure of infectious prion is labeled as PrPSc. PrPc may play a role in synaptic plasticity and neuronal development. Also, it may be required for neuronal myelin sheath maintenance, including a role in iron uptake and iron homeostasis. PrPSc can be considered as an environmental pollutant. The main aim of this study was to carry out the molecular modeling and calculation of molecular descriptors (lipophilicity, physico-chemical and topological descriptors) of structurally diverse compounds which can be considered as anti-prion agents. Molecular modeling was conducted applying ChemBio3D Ultra version 12.0 software. The obtained 3D models were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. The Austin Model 1 (AM-1) was used for full geometry optimization of all structures. The obtained set of molecular descriptors is applied in analysis of similarities and dissimilarities among the tested compounds. This study is an important step in further development of quantitative structure-activity relationship (QSAR) models, which can be used for prediction of anti-prion activity of newly synthesized compounds.

Keywords: chemometrics, molecular modeling, molecular descriptors, prions, QSAR

Procedia PDF Downloads 308