Search results for: classroom simulations

Authors: David Boyajian, Tadeh Zirakian

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Stability and performance of steel plates are characterized by geometrical buckling and material yielding. In this paper, the geometrical buckling and material yielding behaviors of low yield point (LYP) steel plates are studied from the point of view of their application in steel plate shear wall (SPSW) systems. Use of LYP steel facilitates the design and application of web plates with improved buckling and energy absorption capacities in SPSW systems. LYP steel infill plates may yield first and then undergo inelastic buckling. Hence, accurate determination of the limiting plate thickness corresponding to simultaneous buckling and yielding can be effective in seismic design of such lateral force-resisting and energy dissipating systems. The limiting thicknesses of plates with different loading and support conditions are determined theoretically and verified through detailed numerical simulations. Effects of use of LYP steel and plate aspect ratio parameter on the limiting plate thickness are investigated as well. In addition, detailed studies are performed on determination of the limiting web-plate thickness in code-designed SPSWs. Some practical recommendations are accordingly provided for efficient seismic design of SPSW systems with LYP steel infill plates.

Keywords: buckling, low yield point steel, plates, steel plate shear walls, yielding

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Authors: Ali Kadivar, Kaveh Niayesh

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MVDC markets for green power generations, Navy, subsea oil and gas electrification, and transportation electrification are extending rapidly. The lack of fast and powerful DC circuit breakers (CB) is the most significant barrier to realizing the medium voltage DC (MVDC) networks. A concept of hybrid circuit breakers (HCBs) benefiting from ultrafast disconnectors (UFD) is proposed. A set of mechanical switches substitute the power electronic commutation switches to reduce the losses during normal operation in HCB. The success of current commutation in such breakers relies on the behaviour of elongated, wall constricted arcs during the opening across the contacts inside the UFD. The arc voltage dependencies on the contact speed of UFDs is discussed through multiphysics simulations contact opening speeds of 10, 20 and 40 m/s. The arc voltage at a given current increases exponentially with the contact opening velocity. An empirical equation for the dynamic arc characteristics is presented for the tested UFD, and the experimentally verfied characteristics for voltage-current are utilized for the current commutation simulation prior to apply on a 14 kV experimental setup. Different failures scenarios due to the current commutation are investigated

Keywords: MVDC breakers, DC circuit breaker, fast operating breaker, ultra-fast elongated arc

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Authors: Ebru Turgal, Beyza Doganay Erdogan

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Machine learning aims to model the relationship between the response and features. Medical decision-making researchers would like to make decisions about patients’ course and treatment, by examining the repeated measurements over time. Boosting approach is now being used in machine learning area for these aims as an influential tool. The aim of this study is to show the usage of multivariate tree boosting in this field. The main reason for utilizing this approach in the field of decision-making is the ease solutions of complex relationships. To show how multivariate tree boosting method can be used to identify important features and feature-time interaction, we used the data, which was collected retrospectively from Ankara University Chest Diseases Department records. Dataset includes repeated PF ratio measurements. The follow-up time is planned for 120 hours. A set of different models is tested. In conclusion, main idea of classification with weighed combination of classifiers is a reliable method which was shown with simulations several times. Furthermore, time varying variables will be taken into consideration within this concept and it could be possible to make accurate decisions about regression and survival problems.

Keywords: boosted multivariate trees, longitudinal data, multivariate regression tree, panel data

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Authors: Mulu G. Gencha, Gebremedhin Simon, Menna Olango

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This study was conducted at Hawassa University (HwU) in the Southern Nation Nationalities Peoples Regional State (SNNPRS) of Ethiopia. The prime concern of this study was to examine the writing performances of experimental and control group students, perception of experimental group students, and subject instructors. The course was blended learning (BL). Blended learning is a hybrid of classroom and on-line learning. Participants were eighty students from the School of Computer Science. Forty students attended the BL delivery involved using Face-to-Face (FTF) and campus-based online instruction. All instructors, fifty, of School of Language and Communication Studies along with 10 FGD members participated in the study. The experimental group went to the computer lab two times a week for four months, March-June, 2012, using the local area network (LAN), and software (MOODLE) writing program. On the other hand, the control group, forty students, took the FTF writing course five times a week for four months in similar academic calendar. The three instruments, the attitude questionnaire, tests and FGD were designed to identify views of students, instructors, and FGD participants on BL. At the end of the study, students’ final course scores were evaluated. Data were analyzed using independent samples t-tests. A statistically, significant difference was found between the FTF and BL (p<0.05). The analysis showed that the BL group was more successful than the conventional group. Besides, both instructors and students had positive attitude towards BL. The final section of the thesis showed the potential benefits and challenges, considering the pedagogical implications for the BL, and recommended possible avenues for further works.

Keywords: blended learning, computer attitudes, computer usefulness, computer liking, computer confidence, computer phobia

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Authors: Samar Alkindy

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Purpose: The BIM model has been used to support the planning of different construction projects in the industry by showing the different stages of the construction process. The model has been instrumental in identifying some of the common errors in the construction process through the spatial arrangement. The continuous use of the BIM model in the construction industry has resulted in various radical changes such as virtual prototyping. Construction virtual prototyping is a highly advanced technology that incorporates a BIM model with realistic graphical simulations, and facilitates the simulation of the project before a product is built in the factory. The paper presents virtual prototyping in the construction industry by examining its application, challenges and benefits to a construction project. Methodology approach: A case study was conducted for this study in four major construction projects, which incorporate virtual construction prototyping in several stages of the construction project. Furthermore, there was the administration of interviews with the project manager and engineer and the planning manager. Findings: Data collected from the methodological approach shows a positive response for virtual construction prototyping in construction, especially concerning communication and visualization. Furthermore, the use of virtual prototyping has increased collaboration and efficiency between construction experts handling a project. During the planning stage, virtual prototyping has increased accuracy, reduced planning time, and reduced the amount of rework during the implementation stage. Irrespective of virtual prototyping being a new concept in the construction industry, the findings outline that the approach will benefit the management of construction projects.

Keywords: construction operations, construction planning, process simulation, virtual prototyping

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Authors: Claire P. Griffin

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The education provision for students with special educational needs, including students with Autism Spectrum Disorder (ASD), has undergone significant national and international changes in recent years. In particular, an increase in resource-based provision has occurred across educational settings in an effort to support inclusive practices. This paper seeks to explore the role of the Special Needs Assistant (SNA) in supporting children with ASD in Irish schools. This research stems from the second national evaluation of ‘Education Provision for Students with Autism Spectrum Disorder in Ireland’ (NCSE, 2016). This research was commissioned by the National Council for Special Education (NCSE) in Ireland and conducted by a team of researchers from Mary Immaculate College, Limerick from February to July 2014. This study involved a multiple case study research strategy across 24 educational sites, as selected through a stratified sampling process. Research strategies included semi-structured interviews, classroom observations, documentary review and child conversations. Data analysis was conducted electronically using Nvivo software, with use of an additional quantitative recording mechanism based on scaled weighting criteria for collected data. Based on such information, key findings from the NCSE national evaluation will be presented and critically reviewed, with particular reference to the role of the SNA in supporting pupils with ASD. Examples of positive practice inherent within the SNA role will be outlined and contrasted with discrete areas for development. Based on such findings, recommendations for the evolving role of the SNA will be presented, with the aim of informing both policy and best practice within the field.

Keywords: autism spectrum disorder, inclusive education , paraprofessional, special needs assistant

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Authors: Michelle Bulawan, Mei-Hua Chen

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Reading comprehension is crucial for acquiring information, analyzing critically, and achieving academic proficiency. However, there is a lack of growth in reading comprehension skills beyond fourth grade. The developmental shift from "learning to read" to "reading to learn" occurs around this stage. Factual knowledge and diverse views in articles enhance reading comprehension abilities. Nevertheless, some face difficulties due to evolving textual requirements, such as expanding vocabulary and using longer, more complex terminology. Most research on reading strategies has been conducted at the tertiary and secondary levels, while few have focused on the elementary levels. Furthermore, the use of character, ask, problem, solution (CAPS) charts in teaching reading has also been hardly explored. Thus, the researcher decided to explore the facilitation of active reading strategies through the CAPS chart and address the following research questions: a) What differences existed in elementary EFL learners' reading competency among those who engaged in active reading strategies and those who did not? b) What are the learners’ metacognitive skills of those who engage in active reading strategies and those who do not, and what are their effects on their reading competency? c) For those participants who engage in active reading activities, what are their perceptions about incorporating active reading activities into their English classroom learning? Two groups of elementary EFL learners, each with 18 students of the same level of English proficiency, participated in this study. Group A served as the control group, while Group B served as the experimental group. Two teachers also participated in this research; one of them was the researcher who handled the experimental group. The treatment lasts for one whole semester or seventeen weeks. In addition to the CAPS chart, the researcher also used the metacognitive awareness of reading strategy inventory (MARSI) and a ten-item, five-point Likert scale survey.

Keywords: active reading, EFL learners, metacognitive skills, reading competency, student’s perception

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Authors: S. M. Ali, A. Salam Khan, A. U. Khan, M. Tariq, M. S. Hussain, B. A. Abbasi, I. Hussain, U. Farid

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Environment and surrounding plays a pivotal rule in structuring life-style of the consumers. Living standards intern effect the energy consumption of the consumers. In smart grid paradigm, climate drifts, weather parameter and green environmental directly relates to the energy profiles of the various consumers, such as residential, commercial and industrial. Considering above factors helps policy in shaping utility load curves and optimal management of demand and supply. Thus, there is a pressing need to develop correlation models of load and weather parameters and critical analysis of the factors effecting energy profiles of smart grid consumers. In this paper, we elaborated various environment and weather parameter factors effecting demand of consumers. Moreover, we developed correlation models, such as Pearson, Spearman, and Kendall, an inter-relation between dependent (load) parameter and independent (weather) parameters. Furthermore, we validated our discussion with real-time data of Texas State. The numerical simulations proved the effective relation of climatic drifts with energy consumption of smart grid consumers.

Keywords: climatic drifts, correlation analysis, energy consumption, smart grid, weather parameter

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Authors: Yousef Almutairi, Yajue Wu

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Various large-scale trends have characterized the current century thus far, including increasing shifts towards urbanization and greater movement. It is predicted that there will be 9.3 billion people on Earth in 2050 and that over two-thirds of this population will be city dwellers. Moreover, in larger cities worldwide, mass transportation systems, including underground systems, have grown to account for the majority of travel in those settings. Underground networks are vulnerable to fires, however, endangering travellers’ safety, with various examples of fire outbreaks in this setting. This study aims to increase knowledge of the impacts of extreme climatic conditions on fires, including the role of the high ambient temperatures experienced in Middle Eastern countries and specifically in Saudi Arabia. This is an element that is not always included when assessments of fire safety are made (considering visibility, temperatures, and flows of smoke). This paper focuses on a tunnel within Riyadh’s underground system as a case study and includes simulations based on computational fluid dynamics using ANSYS Fluent, which investigates the impact of various ventilation systems while identifying smoke density, speed, pressure and temperatures within this tunnel.

Keywords: fire, subway tunnel, CFD, mechanical ventilation, smoke, temperature, harsh weather

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Authors: H. G. Noh, H. G. Park, B. S. Kang, J. Kim

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Electromagnetic forming process (EMF) is one of high-velocity forming processes using Lorentz force. Advantages of EMF are summarized as improvement of formability, reduction in wrinkling, non-contact forming. In this study, numerical simulations were conducted to determine the practical parameters for EMF process. A 2-D axis-symmetric electromagnetic model was considered based on the spiral type forming coil. In the numerical simulation, RLC circuit coupled with spiral coil was made to consider the design parameters such as system input current and electromagnetic force. In order to deform the sheet in the patter shape die, two types of spiral shape coil were considered to deform the pattern shape sheet. One is a spiral coil that has 6turns with dead zone at centre point. Another is a normal spiral coil without dead zone that has 8 turns. In the electric analysis, input current and magnetic force were compared and then plastic deformation was treated in the mechanical analysis for two coil cases. Deformation behaviour of dead zone coil case has good agreement with pattern shape die. As a result, deformation behaviour could be controlled by giving dead zone at centre of the coil in spiral shape coil case.

Keywords: electromagnetic forming, spiral coil, Lorentz force, manufacturing

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Authors: ChunLoon Cha, HoYeon Lee, SangSoon Hwang

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Mild combustion is characterized with its distinguished features, such as suppressed pollutant emission, homogeneous temperature distribution, reduced noise and thermal stress. However, most studies for MILD combustion have been focused on gas phase fuel. Therefore further study on MILD combustion using liquid fuel is needed for the application to liquid fueled gas turbine especially. In this work, we will focus on numerical simulation of the effects of diluent gas velocity on the formation of liquid fuel MILD combustion used in gas turbine area. A series of numerical simulations using Ansys fluent 18.2 have been carried out in order to investigate the detail effect of the flow field in the furnace on the formation of MILD combustion. The operating conditions were fixed at relatively lower heat intensity of 1.28 MW/m³ atm and various global equivalence ratios were changed. The results show that the local high temperature region was decreased and the flame temperature was uniformly distributed due to high velocity of diluted burnt gas. The increasing of diluted burnt gas velocity can be controlled by open ratio of adapter size. It was found that the maximum temperature became lower than 1800K and the average temperature was lower than 1500K that thermal NO formation was suppressed.

Keywords: MILD combustion, spray combustion, liquid fuel, diluent gas velocity, low NOx emission

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Authors: Thelma Mort

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This empirical, qualitative research uses interviews of four intermediate phase English language student teachers at one university in South Africa and is an exploration of student teacher learning on their teaching practicum in their penultimate year of the initial teacher education course. The country’s post-apartheid language in education policy provides a context to this study in that children move from mother tongue language of instruction in foundation phase to English as a language of instruction in Intermediate phase. There is another layer of context informing this study which is the school context; the student teachers’ reflections are from their teaching practicum in resource constrained schools, which make up more than 75% of schools in South Africa. The findings were that in these schools, deep biases existed to local languages, that language was being used as a proxy for social class, and that conditions necessary for language acquisition were absent. The student teachers’ attitudes were in contrast to those found in the schools, namely that they had various pragmatic approaches to overcoming obstacles and that they saw language as enabling interdisciplinary work. This study describes language issues, tensions created by policy in South African schools and also supplies a regional account of learning to teach in resource constrained schools in Cape Town, where such language tensions are more inflated. The central findings in this research illuminate attitudes to language and language education in these teaching practicum schools and the complexity of learning to be a language teacher in these contexts. This study is one of the few local empirical studies regarding language teaching in the classroom and language teacher education; as such it offers some background to the country’s poor performance in both international and national literacy assessments.

Keywords: language teaching, narrative, post apartheid, South Africa, student teacher

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Authors: Alcardo Alex Barakabitze, Tan Xiaoheng

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Orthogonal Frequency Division Multiplexing (OFDM) is a special case of Multi-Carrier Modulation (MCM) technique which transmits a stream of data over a number of lower data rate subcarriers. OFDM splits the total transmission bandwidth into a number of orthogonal and non-overlapping subcarriers and transmit the collection of bits called symbols in parallel using these subcarriers. This paper explores the Peak to Average Power Reduction (PAPR) using the Partial Transmit Sequence technique. We provide the distribution analysis and the basics of OFDM signals and then show how the PAPR increases as the number of subcarriers increases. We provide the performance analysis of CCDF and PAPR expressed in decibels through MATLAB simulations. The simulation results show that, in PTS technique, the performance of PAPR reduction in OFDM systems improves significantly as the number of sub-blocks increases. However, by keeping the same number of sub-blocks variation, oversampling factor and the number of OFDM blocks’ iteration for generating the CCDF, the OFDM systems with 128 subcarriers have an improved performance in PAPR reduction compared to OFDM systems with 256, 512 or >512 subcarriers.

Keywords: OFDM, peak to average power reduction (PAPR), bit error rate (BER), subcarriers, wireless communications

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Authors: S. Kida

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We consider the flow of an incompressible viscous fluid in a precessing sphere whose spin and precession axes are orthogonal to each other. The flow is characterized by two non-dimensional parameters, the Reynolds number Re and the Poincare number Po. For which values of (Re, Po) will the flow approach a steady state from an arbitrary initial condition? To answer it we are searching the instability boundary of the steady states in the whole (Re, Po) plane. Here, we focus the rapidly rotating and weakly precessing limit, i.e., Re >> 1 and Po << 1. The steady flow was obtained by the asymptotic expansion for small ε=Po Re¹/² << 1. The flow exhibits nearly a solid-body rotation in the whole sphere except for a thin boundary layer which develops over the sphere surface. The thickness of this boundary layer is of O(δ), where δ=Re⁻¹/², except where two circular critical bands of thickness of O(δ⁴/⁵) and of width of O(δ²/⁵) which are located away from the spin axis by about 60°. We perform the linear stability analysis of the steady flow. We assume that the disturbances are localized in the critical bands and make an expansion analysis in terms of ε to derive the eigenvalue problem for the growth rate of the disturbance, which is solved numerically. As the solution, we obtain an asymptote of the stability boundary as Po=28.36Re⁻⁰.⁸. This agrees excellently with the corresponding laboratory experiments and numerical simulations. One of the most popular instability mechanisms so far is the parametric instability, which turns out, however, not to give the correct stability boundary. The present instability is different from the parametric instability.

Keywords: boundary layer, critical band, instability, precessing sphere

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Authors: Danielle Schneider, Ying Xie

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Middle school science, technology, engineering, and math (STEM) teachers experience an exceptional challenge in the expectation to incorporate curricula that builds strong spatial reasoning skills on rudimentary geometry concepts. Because spatial ability is so closely tied to STEM students’ success, researchers are tasked to determine effective instructional practices that create an authentic learning environment within the immersive virtual reality learning environment (IVRLE). This study looked to investigate the effect of the IVRLE on middle school STEM students’ spatial reasoning skills as a methodology to benefit the STEM middle school students’ spatial reasoning skills. This experimental study was comprised of thirty 7th-grade STEM students divided into a treatment group that was engaged in an immersive VR platform where they engaged in building an object in the virtual realm by applying spatial processing and visualizing its dimensions and a control group that built the identical object using a desktop computer-based, computer-aided design (CAD) program. Before and after the students participated in the respective “3D modeling” environment, their spatial reasoning abilities were assessed using the Middle Grades Mathematics Project Spatial Visualization Test (MGMP-SVT). Additionally, both groups created a physical 3D model as a secondary measure to measure the effectiveness of the IVRLE. The results of a one-way ANOVA in this study identified a negative effect on those in the IVRLE. These findings suggest that with middle school students, virtual reality (VR) proved an inadequate tool to benefit spatial relation skills as compared to desktop-based CAD.

Keywords: virtual reality, spatial reasoning, CAD, middle school STEM

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Authors: Makito Sakai, Takahiro Kiwata, Takumi Awa, Hiroshi Teramoto, Takaaki Kono, Kuniaki Toyoda

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Using experimental and numerical results, this paper describes the effects of tabs on the flow characteristics of a plane jet at comparatively low Reynolds numbers while focusing on the velocity field and the vortical structure. The flow visualization and velocity measurements were respectively carried out using laser Doppler velocimetry (LDV) and particle image velocimetry (PIV). In addition, three-dimensional (3D) plane jet numerical simulations were performed using ANSYS Fluent, a commercially available computational fluid dynamics (CFD) software application. We found that the spreads of jets perturbed by large delta tabs and round tabs were larger than those produced by the other tabs tested. Additionally, it was determined that a plane jet with square tabs had the smallest jet spread downstream, and the jet’s centerline velocity was larger than those of jets perturbed by the other tabs tested. It was also observed that the spanwise vortical structure of a plane jet with tabs disappeared completely. Good agreement was found between the experimental and numerical simulation velocity profiles in the area near the nozzle exit when the laminar flow model was used. However, we also found that large eddy simulation (LES) is better at predicting the developing flow field of a plane jet than the laminar and the standard k-ε turbulent models.

Keywords: plane jet, flow control, tab, flow measurement, numerical simulation

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Authors: Kwang Chun, John Kemeny

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Light detection and ranging (LiDAR) has been a prevalent remote-sensing technology applied in the geological fields due to its high precision and ease of use. One of the major applications is to use the detailed geometrical information of underground structures as a basis for the generation of a three-dimensional numerical model that can be used in a geotechnical stability analysis such as FEM or DEM. To date, however, straightforward techniques in reconstructing the numerical model from the scanned data of the underground structures have not been well established or tested. In this paper, we propose a comprehensive approach integrating all the various processes, from LiDAR scanning to finite element numerical analysis. The study focuses on converting LiDAR 3D point clouds of geologic structures containing complex surface geometries into a finite element model. This methodology has been applied to Kartchner Caverns in Arizona, where detailed underground and surface point clouds can be used for the analysis of underground stability. Numerical simulations were performed using the finite element code Abaqus and presented by 3D computing visualization solution, ParaView. The results are useful in studying the stability of all types of underground excavations including underground mining and tunneling.

Keywords: finite element analysis, LiDAR, remote-sensing, scientific visualization, underground stability

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Authors: Pooya Lotfabadi

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In today's world, sustainability is a critical concern, particularly in the building industry, which is a significant contributor to energy consumption. Buildings must be considered in relation to their urban surroundings, highlighting the importance of collaboration between architecture and urban design. Natural light plays a vital role in enhancing a building's thermal and visual comfort and promoting the well-being of outdoor residents. Therefore, architects and urban designers are responsible for maximizing sunlight exposure in urban settings. Key factors such as building height and orientation are essential for optimizing natural light. Without proper attention, standalone projects can negatively affect their urban environment. Regulations like the Sky Exposure Plane- a virtual sloping plane that determines minimum building heights and spacing- serve as effective tools for guiding urban development. This study aims to define the Sky Exposure Plane in public open spaces, proposing an optimal angle for buildings on Gulseren Street in Famagusta, North Cyprus. Utilizing computer simulations, the research examines the role of sunlight in public streets and offers guidelines to improve natural lighting in urban planning.

Keywords: public open space, sky exposure plane, street natural lighting, sustainable urban design

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Authors: Giselle Maggie Fer Castañeda, Diego Iván González

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The objective of this work was to study the autoshaped choice behavior in the Donahoe, Burgos and Palmer (DBP) neural network model and analyze it under the matching law. Autoshaped choice can be viewed as a form of economic behavior defined as the preference between alternatives according to their relative outcomes. The Donahoe, Burgos and Palmer (DBP) model is a connectionist proposal that unifies operant and Pavlovian conditioning. This model has been used for more than three decades as a neurobehavioral explanation of conditioning phenomena, as well as a generator of predictions suitable for experimental testing with non-human animals and humans. The study consisted of different simulations in which, in each one, a ratio of reinforcement was established for two alternatives, and the responses (i.e., activations) in each of them were measured. Choice studies with animals have demonstrated that the data generally conform closely to the generalized matching law equation, which states that the response ratio equals proportionally to the reinforcement ratio; therefore, it was expected to find similar results with the neural networks of the Donahoe, Burgos and Palmer (DBP) model since these networks have simulated and predicted various conditioning phenomena. The results were analyzed by the generalized matching law equation, and it was observed that under some contingencies, the data from the networks adjusted approximately to what was established by the equation. Implications and limitations are discussed.

Keywords: matching law, neural networks, computational models, behavioral sciences

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Authors: Simon Ingelsten, Anton Lundberg, Vijay Shankar, Lars-Olof Landström, Örjan Johansson

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The flow in a low consistency disc refiner is simulated with the aim of identifying flow structures possibly being of importance for a future study to optimise the energy efficiency in refining processes. A simplified flow geometry is used, where a single groove of a refiner disc is modelled. Two different fibre models are used to simulate turbulent fibre suspension flow in the groove. The first model is a Bingham viscoplastic fluid model where the fibre suspension is treated as a non-Newtonian fluid with a yield stress. The second model is a new model proposed in a recent study where the suspended fibres effect on flow is accounted for through a modelled orientation distribution function (ODF). Both models yielded similar results with small differences. Certain flow characteristics that were expected and that was found in the literature were identified. Some of these flow characteristics may be of importance in a future process to optimise the refiner geometry to increase the energy efficiency. Further study and a more detailed flow model is; however, needed in order for the simulations to yield results valid for quantitative use in such an optimisation study. An outline of the next steps in such a study is proposed.

Keywords: disc refiner, fibre flow, sustainability, turbulence modelling

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Authors: Yasser Gaber, Mohamed Ismail, Serena Bisagni, Mohamad Takwa, Rajni Hatti-Kaul

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Enzymes are safe and selective catalysts. They skillfully catalyze chemical reactions; however, the native form is not usually suitable for industrial applications. Enzymes are therefore engineered by several techniques to meet the required catalytic task. Clopidogrel is recorded among the five best selling pharmaceutical in 2010 under the brand name Plavix. The commonly used route for production of the drug on an industrial scale is the synthesis of the racemic mixture followed by diastereomeric resolution to obtain the pure S isomer. The process consumes a lot of solvents and chemicals. We have evaluated a biocatalytic cleaner approach for asymmetric hydrolysis of racemic clopidogrel. Initial screening of a selected number of hydrolases showed only one enzyme EST to exhibit activity and selectivity towards the desired stereoisomer. As the crude EST is a mixture of several isoenzymes, a homology model of EST-1 was used in molecular dynamic simulations to study the interaction of the enzyme with R and S isomers of clopidogrel. Analysis of the geometric hindrances of the tetrahedral intermediates revealed a potential site for mutagenesis in order to improve the activity and the selectivity. Single point mutation showed dramatic increase in activity and inversion of the enantioselectivity (400 fold change in E value).

Keywords: biocatalysis, biotechnology, enzyme, protein engineering, molecular modeling

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Authors: Yaxin Tang, Mingao Hou, Qian He, Guangfu Luo

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Bimetallic nanoparticles serve as a promising class of catalysts with tunable properties suitable for diverse catalytic reactions, yet a comprehensive understanding of their actual structures under operating conditions and the optimal design principles remains largely elusive. In this study, we unveil a prevalent surface segregation phenomenon in nearly 100 platinum-group-element-based bimetallic nanoparticles through first principles-based molecular dynamics simulations. Our findings highlight that two components in a nanoparticle with relatively lower surface energy tend to segregate to the surface. Motivated by this discovery, we propose a deliberate exploitation of surface segregation in designing bimetallic nanoparticle catalysts, aiming for heightened stability and reduced consumption of precious metals. To validate this strategy, we further investigate 36 platinum-based bimetallic nanoparticles for propane dehydrogenation catalysis. Through a systematic examination of catalytic sites on nanoparticles, we identify several systems as top candidates with Pt-enriched surfaces, remarkable thermal stability, and superior catalytic activity for propane dehydrogenation. The insights gained garnered from this study are anticipated to provide a valuable framework for the optimal design of other bimetallic nanoparticles.

Keywords: bimetallic nanoparticles, platinum-group element, catalysis, surface segregation, first-principles calculations

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Authors: Leila Momenzadeh, Alexander V. Evteev, Elena V. Levchenko, Tanvir Ahmed, Irina Belova, Graeme Murch

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In this work, the phonon thermal conductivity of f.c.c. Al is investigated in detail in the temperature range 100 – 900 K within the framework of equilibrium molecular dynamics simulations making use of the Green-Kubo formalism and one of the most reliable embedded-atom method potentials. It is found that the heat current auto-correlation function of the f.c.c. Al model demonstrates a two-stage temporal decay similar to the previously observed for f.c.c Cu model. After the first stage of decay, the heat current auto-correlation function of the f.c.c. Al model demonstrates a peak in the temperature range 100-800 K. The intensity of the peak decreases as the temperature increases. At 900 K, it transforms to a shoulder. To describe the observed two-stage decay of the heat current auto-correlation function of the f.c.c. Al model, we employ decomposition model recently developed for phonon-mediated thermal transport in a monoatomic lattice. We found that the electronic contribution to the total thermal conductivity of f.c.c. Al dominates over the whole studied temperature range. However, the phonon contribution to the total thermal conductivity of f.c.c. Al increases as temperature decreases. It is about 1.05% at 900 K and about 12.5% at 100 K.

Keywords: aluminum, gGreen-Kubo formalism, molecular dynamics, phonon thermal conductivity

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Authors: Wiem Zemzem, Moncef Tagina

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In this work, we are addressing the problem of an autonomous mobile robot navigating in a large, unknown and dynamic environment using reinforcement learning abilities. This problem is principally related to the exploration/exploitation dilemma, especially the need to find a solution letting the robot detect the environmental change and also learn in order to adapt to the new environmental form without ignoring knowledge already acquired. Firstly, a new action selection strategy, called ε-greedy-MPA (the ε-greedy policy favoring the most promising actions) is proposed. Unlike existing exploration/exploitation policies (EEPs) such as ε-greedy and Boltzmann, the new EEP doesn’t only rely on the information of the actual state but also uses those of the eventual next states. Secondly, as the environment is large, an exploration favoring least recently visited states is added to the proposed EEP in order to accelerate learning. Finally, various simulations with ball-catching problem have been conducted to evaluate the ε-greedy-MPA policy. The results of simulated experiments show that combining this policy with the Qlearning method is more effective and efficient compared with the ε-greedy policy in stationary environments and the utility-based reinforcement learning approach in non stationary environments.

Keywords: autonomous mobile robot, exploration/ exploitation policy, large, dynamic environment, reinforcement learning

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Authors: Leonardo A. Ambrosio, Carlos. H. Silva Santos, Ivan E. L. Rodrigues, Ayumi K. de Campos, Leandro A. Machado

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In this work, we propose an algorithm developed under Python language for the modeling of ordinary scalar Bessel beams and their discrete superpositions and subsequent calculation of optical forces exerted over dielectric spherical particles. The mathematical formalism, based on the generalized Lorenz-Mie theory, is implemented in Python for its large number of free mathematical (as SciPy and NumPy), data visualization (Matplotlib and PyJamas) and multiprocessing libraries. We also propose an approach, provided by a synchronized Software as Service (SaaS) in cloud computing, to develop a user interface embedded on a mobile application, thus providing users with the necessary means to easily introduce desired unknowns and parameters and see the graphical outcomes of the simulations right at their mobile devices. Initially proposed as a free Android-based application, such an App enables data post-processing in cloud-based architectures and visualization of results, figures and numerical tables.

Keywords: Bessel Beams and Frozen Waves, Generalized Lorenz-Mie Theory, Numerical Methods, optical forces

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Authors: Victoria Siriaki Jorry, I. S. Mbalawata, Hayong Shin

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The main objective in a change detection problem is to develop algorithms for efficient detection of gradual and/or abrupt changes in the parameter distribution of a process or time series data. In this paper, we present a modified cumulative (MCUSUM) algorithm to detect the start and end of a time-varying linear drift in mean value of a time series data based on likelihood ratio test procedure. The design, implementation and performance of the proposed algorithm for a linear drift detection is evaluated and compared to the existing CUSUM algorithm using different performance measures. An approach to accurately approximate the threshold of the MCUSUM is also provided. Performance of the MCUSUM for gradual change-point detection is compared to that of standard cumulative sum (CUSUM) control chart designed for abrupt shift detection using Monte Carlo Simulations. In terms of the expected time for detection, the MCUSUM procedure is found to have a better performance than a standard CUSUM chart for detection of the gradual change in mean. The algorithm is then applied and tested to a randomly generated time series data with a gradual linear trend in mean to demonstrate its usefulness.

Keywords: average run length, CUSUM control chart, gradual change detection, likelihood ratio test

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Authors: R. Tlili Yaakoubi, H.Nakouri, O. Blanpain, S. Lallahem

Abstract:

The current tools for real time management of sewer systems are based on two software tools: the software of weather forecast and the software of hydraulic simulation. The use of the first ones is an important cause of imprecision and uncertainty, the use of the second requires temporal important steps of decision because of their need in times of calculation. This way of proceeding fact that the obtained results are generally different from those waited. The major idea of this project is to change the basic paradigm by approaching the problem by the "automatic" face rather than by that "hydrology". The objective is to make possible the realization of a large number of simulations at very short times (a few seconds) allowing to take place weather forecasts by using directly the real time meditative pluviometric data. The aim is to reach a system where the decision-making is realized from reliable data and where the correction of the error is permanent. A first model of control laws was realized and tested with different return-period rainfalls. The gains obtained in rejecting volume vary from 19 to 100 %. The development of a new algorithm was then used to optimize calculation time and thus to overcome the subsequent combinatorial problem in our first approach. Finally, this new algorithm was tested with 16- year-rainfall series. The obtained gains are 40 % of total volume rejected to the natural environment and of 65 % in the number of discharges.

Keywords: automation, optimization, paradigm, RTC

Procedia PDF Downloads 299

Authors: Wenbo Du, Xiaomei Ma

Abstract:

With the empowerment of Cognitive Diagnostic Assessment (CDA), various domains of language testing and assessment have been investigated to dig out more diagnostic information. What is noticeable is that most of the extant empirical CDA-based research puts much emphasis on individual-level diagnostic purpose with very few concerned about learners’ group-level performance. Even though the personalized diagnostic feedback is the unique feature that differentiates CDA from other assessment tools, group-level diagnostic information cannot be overlooked in that it might be more practical in classroom setting. Additionally, the group-level diagnostic information obtained via current CDA always results in a “flat pattern”, that is, the mastery/non-mastery of all tested skills accounts for the two highest proportion. In that case, the outcome does not bring too much benefits than the original total score. To address these issues, the present study attempts to apply cluster analysis for group classification and quantile regression analysis to pinpoint learners’ performance at different proficiency levels (beginner, intermediate and advanced) thus to enhance the interpretation of the CDA results extracted from a group of EFL learners’ reading performance on a diagnostic reading test designed by PELDiaG research team from a key university in China. The results show that EM method in cluster analysis yield more appropriate classification results than that of CDA, and quantile regression analysis does picture more insightful characteristics of learners with different reading proficiencies. The findings are helpful and practical for instructors to refine EFL reading curriculum and instructional plan tailored based on the group classification results and quantile regression analysis. Meanwhile, these innovative statistical methods could also make up the deficiencies of CDA and push forward the development of language testing and assessment in the future.

Keywords: cognitive diagnostic assessment, diagnostic feedback, EFL reading, quantile regression

Procedia PDF Downloads 146

Authors: Dina L. DiSantis

Abstract:

Strengthening a sense of responsibility while relating global sustainability concepts such as water quality and pollution to a local water system can be achieved by teaching students to conduct and interpret water quality monitoring tests. When students conduct their own research, they become better stewards of the environment. Providing outdoor learning and place-based opportunities for students helps connect them to the natural world. By conducting stream studies and collecting data, students are able to better understand how the natural environment is a place where everything is connected. Students have been collecting physical, chemical and biological data along the West and East Branches of the Brandywine River, in Pennsylvania for over ten years. The stream studies are part of the advanced placement environmental science and aquatic science courses that are offered as electives to juniors and seniors at the Downingtown High School West Campus in Downingtown, Pennsylvania. Physical data collected includes: temperature, turbidity, width, depth, velocity, and volume of flow or discharge. The chemical tests conducted are: dissolved oxygen, carbon dioxide, pH, nitrates, alkalinity and phosphates. Macroinvertebrates are collected with a kick net, identified and then released. Students collect the data from several locations while traveling by canoe. In the classroom, students prepare a water quality data analysis and interpretation report based on their collected data. The summary of the results from longitudinal water quality data collection by students, as well as the strengths and weaknesses of student data collection will be presented.

Keywords: place-based, student data collection, sustainability, water quality monitoring

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Authors: S. Saju, G. Thirugnanam

Abstract:

In this paper, a medical image watermarking algorithm based on contourlet is proposed. Medical image watermarking is a special subcategory of image watermarking in the sense that images have special requirements. Watermarked medical images should not differ perceptually from their original counterparts because clinical reading of images must not be affected. Watermarking techniques based on wavelet transform are reported in many literatures but robustness and security using contourlet are better when compared to wavelet transform. The main challenge in exploring geometry in images comes from the discrete nature of the data. In this paper, original image is decomposed to two level using contourlet and the watermark is embedded in the resultant sub-bands. Sub-band selection is based on the value of Peak Signal to Noise Ratio (PSNR) that is calculated between watermarked and original image. To extract the watermark, Kernel ICA is used and it has a novel characteristic is that it does not require the transformation process to extract the watermark. Simulation results show that proposed scheme is robust against attacks such as Salt and Pepper noise, Median filtering and rotation. The performance measures like PSNR and Similarity measure are evaluated and compared with Discrete Wavelet Transform (DWT) to prove the robustness of the scheme. Simulations are carried out using Matlab Software.

Keywords: digital watermarking, independent component analysis, wavelet transform, contourlet

Procedia PDF Downloads 528