Search results for: mathematical modeling

Authors: Bin Wang, Hengyu Ji, Zhifeng Ye

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Fuel Metering Unit (FMU) in fuel system of an aeroengine sometimes has direct influence on the engine performance, which is neglected for the sake of easy access to mathematical model of the engine in most cases. In order to verify the influence of FMU on an engine model, this paper presents a co-simulation of a stepping motor driven FMU (digital FMU) in a turboshaft aeroengine, using AMESim and MATLAB to obtain the steady and dynamic characteristics of the FMU. For this method, mechanical and hydraulic section of the unit is modeled through AMESim, while the stepping motor is mathematically modeled through MATLAB/Simulink. Combining these two sub-models yields an AMESim/MATLAB co-model of the FMU. A simplified component level model for the turboshaft engine is established and connected with the FMU model. Simulation results on the full model show that the engine model considering FMU characteristics describes the engine more precisely especially in its transition state. An FMU dynamics will cut down the rotation speed of the high pressure shaft and the inlet pressure of the combustor during the step response. The work in this paper reveals the impact of FMU on engine operation characteristics and provides a reference to an engine model for ground tests.

Keywords: fuel metering unit, stepping motor, AMESim/Matlab, full digital simulation

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Authors: Justine Ugochukwu Osuagwu, Sazali Abd Wahab

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The performance and operation of NNPC have faced series of attacks by all stakeholders as many have observed lots of inefficiency not only on the part of the management but the staff. This has raised questions of whether their operations and performance are being seriously affected by lack of transformational leadership, and the political competition prevalent in the country. The author has applied the administrative leadership theory and institutional theory as a guide to this study and empirically relates such theories to the study. The study also has utilized the quantitative approach where questionnaires were distributed to 370 participants, and the correctly filled and returned questionnaires were used for the analysis using structural equation modeling. The path coefficient of transformational leadership to performance is strong and positive with β = 0.672; t-value = 14.245; p-value = 0.000. Also, the result found that political competition does not mediate the relationship between transformational leadership and performance of NNPC. (β = -0.008; t-value = -0.600; p- value > 0.05). However, the indirect path is all insignificant, meaning that transformational leadership has relationship with corporate performance.The study found that,while political competition does not serve as a mediator in the relationship between transformational leadership and corporate performance, these styles of leadership have a direct and positive impact on corporate performance. The direct relationship between transformational leadership and political competition was not discovered, despite the fact that political competition has a direct and significant impact, both positive and negative, on corporate performance. As a result, both political competition and transformational leadership have the potential to significantly alter corporate performance.

Keywords: performance, transformational leadership, political competition, corporation performance, Nigeria national petroleum corporation

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Authors: Idris Elfeituri

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In the current study, energy and exergy analysis of a 65 MW steam power plant was carried out. This study investigated the effect of variations of overall conductance of the super heater on the performance of an existing steam power plant located in Derna, Libya. The performance of the power plant was estimated by a mathematical modelling which considers the off-design operating conditions of each component. A fully interactive computer program based on the mass, energy and exergy balance equations has been developed. The maximum exergy destruction has been found in the steam generation unit. A 50% reduction in the design value of overall conductance of the super heater has been achieved, which accordingly decreases the amount of the net electrical power that would be generated by at least 13 MW, as well as the overall plant exergy efficiency by at least 6.4%, and at the same time that would cause an increase of the total exergy destruction by at least 14 MW. The achieved results showed that the super heater design and operating conditions play an important role on the thermodynamics performance and the fuel utilization of the power plant. Moreover, these considerations are very useful in the process of the decision that should be taken at the occasions of deciding whether to replace or renovate the super heater of the power plant.

Keywords: Exergy, Super-heater, Fouling; Steam power plant; Off-design., Fouling;, Super-heater, Steam power plant

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Authors: Regina Chua

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To reduce the costs of re-fielding a large survey, a Random Forest classifier was applied to measure the accuracy of classifying individuals into their assigned segments with the fewest possible questions. Given a long survey, one needed to determine the most predictive ten or fewer questions that would accurately assign new individuals to custom segments. Furthermore, the solution needed to be quick in its classification and usable in non-Python environments. In this paper, a supervised Random Forest classifier was modeled on a dataset with 7,000 individuals, 60 questions, and 254 features. The Random Forest consisted of an iterative collection of individual decision trees that result in a predicted segment with robust precision and recall scores compared to a single tree. A random 70-30 stratified sampling for training the algorithm was used, and accuracy trade-offs at different depths for each segment were identified. Ultimately, the Random Forest classifier performed at 87% accuracy at a depth of 10 with 20 instead of 254 features and 10 instead of 60 questions. With an acceptable accuracy in prioritizing feature selection, new tools were developed for non-Python environments: a worksheet with a formulaic version of the algorithm and an embedded function to predict the segment of an individual in real-time. Random Forest was determined to be an optimal classification model by its feature selection, performance, processing speed, and flexible application in other environments.

Keywords: machine learning, supervised learning, data science, random forest, classification, prediction, predictive modeling

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Authors: Yakin Hajlaoui, Richard Labib, Jean-François Plante, Michel Gamache

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This study introduces the Multi-Layer Inverse Distance Weighting Model (ML-IDW), inspired by the mathematical formulation of both multi-layer neural networks (ML-NNs) and Inverse Distance Weighting model (IDW). ML-IDW leverages ML-NNs' processing capabilities, characterized by compositions of learnable non-linear functions applied to input features, and incorporates IDW's ability to learn anisotropic spatial dependencies, presenting a promising solution for nonlinear spatial interpolation and learning from complex spatial data. it employ gradient descent and backpropagation to train ML-IDW, comparing its performance against conventional spatial interpolation models such as Kriging and standard IDW on regression and classification tasks using simulated spatial datasets of varying complexity. the results highlight the efficacy of ML-IDW, particularly in handling complex spatial datasets, exhibiting lower mean square error in regression and higher F1 score in classification.

Keywords: deep learning, multi-layer neural networks, gradient descent, spatial interpolation, inverse distance weighting

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Authors: Yan Cheng, Yijun Shao, James Rudolph, Charlene R. Weir, Beth Sahlmann, Qing Zeng-Treitler

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Supervised predictive models require labeled data for training purposes. Complete and accurate labeled data, i.e., a ‘gold standard’, is not always available, and imperfectly labeled data may need to serve as an alternative. An important question is if the accuracy of the labeled data creates a performance ceiling for the trained model. In this study, we trained several models to recognize the presence of delirium in clinical documents using data with annotations that are not completely accurate (i.e., weakly-supervised learning). In the external evaluation, the support vector machine model with a linear kernel performed best, achieving an area under the curve of 89.3% and accuracy of 88%, surpassing the 80% accuracy of the training sample. We then generated a set of simulated data and carried out a series of experiments which demonstrated that models trained on imperfect data can (but do not always) outperform the accuracy of the training data, e.g., the area under the curve for some models is higher than 80% when trained on the data with an error rate of 40%. Our experiments also showed that the error resistance of linear modeling is associated with larger sample size, error type, and linearity of the data (all p-values < 0.001). In conclusion, this study sheds light on the usefulness of imperfect data in clinical research via weakly-supervised learning.

Keywords: weakly-supervised learning, support vector machine, prediction, delirium, simulation

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Authors: M. Pomianek, M. Piszczek, M. Maciejewski

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The binocular eye tracking technology is increasingly being used in industry, entertainment and marketing analysis. In the case of virtual reality, eye tracking systems are already the basis for user interaction with the environment. In such systems, the high accuracy of determining the user's eye fixation point is very important due to the specificity of the virtual reality head-mounted display (HMD). Often, however, there are unknown errors occurring in the used eye tracking technology, as well as those resulting from the positioning of the devices in relation to the user's eyes. However, can the virtual environment itself influence estimation errors? The paper presents mathematical analyses and empirical studies of the determination of the fixation point and errors resulting from the change in the size of the pupil in response to the intensity of the displayed scene. The article contains both static laboratory tests as well as on the real user. Based on the research results, optimization solutions were proposed that would reduce the errors of gaze estimation errors. Studies show that errors in estimating the fixation point of vision can be minimized both by improving the pupil positioning algorithm in the video image and by using more precise methods to calibrate the eye tracking system in three-dimensional space.

Keywords: eye tracking, fixation point, pupil size, virtual reality

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Authors: Porntip Ruengtam

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This article is an extension of previous research presenting the relevant factors related to environmental perceptions, residential community, and the design of a healing environment, which have effects on the well-being and requirements of Thai elderly. Research methodology began with observations and interviews in three case studies in terms of the management processes and environment design of similar existing projects in Thailand. The interview results were taken to summarize with related theories and literature. A questionnaire survey was designed for data collection to confirm the factors of requirements in a residential community intended for the Thai elderly. A structural equation model (SEM) was formulated to explain the cause-effect factors for the requirements of a residential community for Thai elderly. The research revealed that the requirements of a residential community for Thai elderly were classified into three groups when utilizing a technique for exploratory factor analysis. The factors were comprised of (1) requirements for general facilities and activities, (2) requirements for facilities related to health and security, and (3) requirements for facilities related to physical exercise in the residential community. The results from the SEM showed the background of elderly people had a direct effect on their requirements for a residential community from various aspects. The results should lead to the formulation of policies for design and management of residential communities for the elderly in order to enhance quality of life as well as both the physical and mental health of the Thai elderly.

Keywords: elderly, environmental design, residential community, structural equation modeling

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Authors: Najrullah Khan, Athar Ali Khan

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The Topp-Leone distribution was introduced by Topp- Leone in 1955. In this paper, an attempt has been made to fit Topp-Leone Generalized exponential (TPGE) distribution. A real survival data set is used for illustrations. Implementation is done using R and JAGS and appropriate illustrations are made. R and JAGS codes have been provided to implement censoring mechanism using both optimization and simulation tools. The main aim of this paper is to describe and illustrate the Bayesian modelling approach to the analysis of survival data. Emphasis is placed on the modeling of data and the interpretation of the results. Crucial to this is an understanding of the nature of the incomplete or 'censored' data encountered. Analytic approximation and simulation tools are covered here, but most of the emphasis is on Markov chain based Monte Carlo method including independent Metropolis algorithm, which is currently the most popular technique. For analytic approximation, among various optimization algorithms and trust region method is found to be the best. In this paper, TPGE model is also used to analyze the lifetime data in Bayesian paradigm. Results are evaluated from the above mentioned real survival data set. The analytic approximation and simulation methods are implemented using some software packages. It is clear from our findings that simulation tools provide better results as compared to those obtained by asymptotic approximation.

Keywords: Bayesian Inference, JAGS, Laplace Approximation, LaplacesDemon, posterior, R Software, simulation

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Authors: Amira M. Attia, Karim H. Youssef, Nabil H. Abbasy

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Energy consumption schedule (ECS) technique shifts usage of loads from on peak hours and redistributes them throughout the day according to residents’ operating time preferences. This technique is used as form of indirect control from utility to improve the load curve and hence its load factor and reduce customer’s total electric bill as well. Similarly, load shifting technique achieves ECS purposes but as direct control form applied from utility. In this paper, ECS is simulated twice as optimal constrained mathematical formula, solved by using CVX program in MATLAB^® R2013b. First, it is utilized for single residential building with ten apartments to determine max allowable energy consumption per hour for each residential apartment. Then, it is used for single apartment with number of shiftable domestic devices, where operating schedule is deduced using previous simulation output results as constraints. The paper ends by giving differences between ECS technique and load shifting technique via literature and simulation. Based on results assessment, it will be shown whether using ECS or load shifting is more beneficial to both customer and utility.

Keywords: energy consumption schedule, load shifting, comparison, demand side mangement

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Authors: Ashish Kumar Agrahari, Amit Kumar

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Paroxysmal nocturnal hemoglobinuria (PNH) is an acquired clonal blood disorder that manifests with hemolytic anemia, thrombosis, and peripheral blood cytopenias. The disease is caused by the deficiency of two glycosylphosphatidylinositols (GPI)-anchored proteins (CD55 and CD59) in the hemopoietic stem cells. The deficiency of GPI-anchored proteins has been associated with the somatic mutations in phosphatidylinositol glycan class A (PIGA). However, the mutations that do not cause PNH is associated with the multiple congenital anomalies-hypotonia-seizures syndrome 2 (MCAHS2). To best of our knowledge, no computational study has been performed to explore the atomistic level impact of PIGA mutations on the structure and dynamics of the protein. In the current work, we are mainly interested to get insights into the molecular mechanism of PIGA mutations. In the initial step, we screened the most pathogenic mutations from the pool of publicly available mutations. Further, to get a better understanding, pathogenic mutations were mapped to the modeled structure and subjected to 50ns molecular dynamics simulation. Our computational study suggests that four mutations are highly vulnerable to altering the structural conformation and stability of the PIGA protein, which illustrates its association with PNH and MCAHS2 phenotype.

Keywords: homology modeling, molecular dynamics simulation, missense mutations PNH, MCAHS2, PIGA

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Authors: Amokrane Boufares, Elise Provost, Veronique Osswald, Pascal Clain, Anthony Delahaye, Laurence Fournaison, Didier Dalmazzone

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Gas hydrates have long been considered as problematic for flow assurance in natural gas and oil transportation. On the other hand, they are now seen as future promising materials for various applications (i.e. desalination of seawater, natural gas and hydrogen storage, gas sequestration, gas combustion separation and cold storage and transport). Nonetheless, a better understanding of the crystallization mechanism of gas hydrate and of their formation kinetics is still needed for a better comprehension and control of the process. To that purpose, measuring the real-time evolution of the dissolved gas concentration in the aqueous phase during hydrate formation is required. In this work, CO₂ hydrates were formed in a stirred reactor equipped with an Attenuated Total Reflection (ATR) probe coupled to a Fourier Transform InfraRed (FTIR) spectroscopy analyzer. A method was first developed to continuously measure in-situ the CO₂ concentration in the liquid phase during solubilization, supersaturation, hydrate crystallization and dissociation steps. Thereafter, the measured concentration data were compared with those of equilibrium concentrations. It was observed that the equilibrium is instantly reached in the liquid phase due to the fast consumption of dissolved gas by the hydrate crystallization. Consequently, it was shown that hydrate crystallization kinetics is limited by the gas transfer at the gas-liquid interface. Finally, we noticed that the liquid-hydrate equilibrium during the hydrate crystallization is governed by the temperature of the experiment under the tested conditions.

Keywords: gas hydrate, dissolved gas, crystallization, infrared spectroscopy

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Authors: F. Al-Mufadi, F. Djavanroodi

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During the last decade ultrafine grained (UFG) and nano-structured (NS) materials have experienced a rapid development. In this research work finite element analysis has been carried out to investigate the plastic strain distribution in equal channel angular process (ECAP). The magnitudes of standard deviation (S. D.) and inhomogeneity index (Ci) were compared for different ECAP passes. Verification of a three-dimensional finite element model was performed with experimental tests. Finally the mechanical property including impact energy of ultrafine grained pure commercially pure Aluminum produced by severe plastic deformation method has been examined. For this aim, equal channel angular pressing die with the channel angle, outer corner angle and channel diameter of 90°, 20° and 20 mm had been designed and manufactured. Commercial pure Aluminum billets were ECAPed up to four passes by route BC at the ambient temperature. The results indicated that there is a great improvement at the hardness measurement, yield strength and ultimate tensile strength after ECAP process. It is found that the magnitudes of HV reach 67 HV from 21 HV after the final stage of process. Also, about 330% and 285% enhancement at the YS and UTS values have been obtained after the fourth pass as compared to the as-received conditions, respectively. On the other hand, the elongation to failure and impact energy have been reduced by 23% and 50% after imposing four passes of ECAP process, respectively.

Keywords: SPD, ECAP, FEM, pure Al, mechanical properties

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Authors: M. Sreedhar Babu, Vishal Garg, S. B. Akella, Shibu Clement, N. K. S Rajan

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Producer gas is a biomass derived gaseous fuel which is extensively used in internal combustion engines for power generation application. Unlike the conventional hydrocarbon fuels (Gasoline and Natural gas), the combustion properties of producer gas fuel are much different. Therefore, setting of optimal spark time for efficient engine operation is required. Owing to the fluctuating tendency of producer gas composition during gasification process, the heat release patterns (dictating the power output and emissions) obtained are quite different from conventional fuels. It was found that, valve lift timing is yet another factor which influences the burn rate of producer gas fuel, and thus, the heat release rate of the engine. Therefore, the present study was motivated to estimate the influence of valve lift timing analytically (Wiebe model) on the burn rate of producer gas through curve fitting against experimentally obtained mass fraction burn curves of several producer gas compositions. Furthermore, Wiebe models are widely used in zero-dimensional codes for engine parametric studies and are quite popular. This study also addresses the influence of hydrogen and methane concentration of producer gas on combustion trends, which are known to cause dynamics in engine combustion.

Keywords: combustion duration (CD), crank angle (CA), mass fraction burnt (MFB), producer sas (PG), Wiebe Combustion Model (WCM), wide open throttle (WOT)

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Authors: Aref M. A. Soliman, Mahmoud A. Hassan

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In all vehicle suspension, there is a dry friction. One of the various active suspensions, which have been shown to have considerable practical potential, is a switchable damper suspension system. In this paper, vehicle ride comfort for the passive and switchable damper suspension systems as affected by the value of frictional force generated in springs is discussed. A mathematical model of a quarter vehicle model for two setting switchable damper suspension system with dry friction force is developed to evaluate vehicle ride comfort in terms of suspension performance criteria. The vehicle itself is treated as a rigid body undergoing vertical motions. Comparisons between passive and switchable damper suspensions systems with dry friction force in terms of ride performance are also discussed. The results showed that the ride comfort for the passive and switchable damper suspension systems was deteriorated due to dry friction occurring in the suspensions. The two setting switchable damper with and without dry friction force gives better ride improvements compared with the passive suspension system. Also, the obtained results show an optimum value of damping ratio of the passive suspension system.

Keywords: ride comfort, dry friction, switchable damper, passive suspension

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Authors: Shahroz Khan, Osman Taha Şen

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In automotive brake systems, brake noise has been a major problem, and brake squeal is one of the critical ones which is an instability issue. The brake squeal produces an audible sound at high frequency that is irritating to the human ear. To study this critical problem, first a nonlinear mathematical model with three degree of freedom is developed. This model consists of a point mass that simulates the brake pad and a sliding surface that simulates the brake rotor. The model exposes kinematic and clearance nonlinearities, but no friction nonlinearity. In the formulation, the friction coefficient is assumed to be constant and the friction force does not change direction. The nonlinear governing equations of the model are first obtained, and numerical solutions are sought for different cases. Second, a computational model for the squeal problem is developed with a commercial software, and computational solutions are obtained with two different types of contact cases (solid-to-solid and sphere-to-plane). This model consists of three rigid bodies and several elastic elements that simulate the key characteristics of a brake system. The response obtained from this model is compared with numerical solutions in time and frequency domain.

Keywords: contact force, nonlinearities, brake squeal, vehicle brake

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Authors: Roslinda Nazar, Amin Noor, Khamisah Jafar, Ioan Pop

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In this paper, the steady laminar three-dimensional boundary layer flow and heat transfer of a copper (Cu)-water nanofluid in the vicinity of a permeable shrinking flat surface in an otherwise quiescent fluid is studied. The nanofluid mathematical model in which the effect of the nanoparticle volume fraction is taken into account is considered. The governing nonlinear partial differential equations are transformed into a system of nonlinear ordinary differential equations using a similarity transformation which is then solved numerically using the function bvp4c from Matlab. Dual solutions (upper and lower branch solutions) are found for the similarity boundary layer equations for a certain range of the suction parameter. A stability analysis has been performed to show which branch solutions are stable and physically realizable. The numerical results for the skin friction coefficient and the local Nusselt number as well as the velocity and temperature profiles are obtained, presented and discussed in detail for a range of various governing parameters.

Keywords: heat transfer, nanofluid, shrinking surface, stability analysis, three-dimensional flow

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Authors: Masoud Mohammadpour, Nima Yazdian, Radovan Kovacevic

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The Oil and Gas industries are vigorously looking for new ways to increase the efficiency of their pipeline constructions. Besides the other approaches, implementing of new welding methods for joining pipes can be the best candidate on this regard. Hybrid Laser Arc Welding (HLAW) with the capabilities of high welding speed, deep penetration, and excellent gap bridging ability can be a possible alternative method in pipeline girth welding. This paper investigates the feasibility of applying the HLAW to join ASTM A106-B as the mostly used piping material for transporting high-temperature and high-pressure fluids and gases. The experiments were carried out on six-inch diameter pipes with the wall thickness of 10mm. AWS ER 70 S6 filler wire with diameter of 1.2mm was employed. Relating to this welding procedure, characterization of welded samples such as hardness, tensile testing and Charpy V-notch testing were performed and the results will be reported in this paper. In order to have better understanding about the thermal history and the microstructural alterations caused by the welding heat cycle, a comprehensive Finite Element (FE) model was also conducted. The obtained results have shown that the Gas Metal Arc Welding (GMAW) procedure with the minimum number of 5 passes to complete the wall thickness, was reduced to only single pass by using the HLAW process with the welding time less than 15s.

Keywords: finite element modeling, high-temperature service, hybrid laser/arc welding, welding pipes

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Authors: Xi Luo, Xu Ji, Yunfeng Wang, Guoliang Li, Chongqiang Yan, Ming Li

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Two different kinds of cross V-shape solar air collectors are designed and constructed. In the transverse cross V-shape collector, the V-shape bottom plate is along the air flow direction and the absorbing plate is perpendicular to the air flow direction. In the lengthway cross V-shape collector, the V-shape absorbing plate is along the air flow direction and the bottom plate is perpendicular to the air flow direction. Based on heat balance, the mathematical model is built to evaluate their performances. These thermal performances of the two cross V-shape solar air collectors and an extra traditional flat-plate solar air collector are characterized under various operating conditions by experiments. The experimental results agree well with the calculation values. The experimental results prove that the thermal efficiency of transverse cross V-shape collector precedes that of others. The air temperature at any point along the flow direction of the transverse cross V-shape collector is higher than that of the lengthway cross V-shape collector. For the transverse cross V-shape collector, the most effective length of flow channel is 0.9m. For the lengthway cross V-shape collector, a longer flow channel is necessary to achieve a good thermal performance.

Keywords: cross v-shape, performance, solar air collector, thermal efficiency

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Authors: Leandro Marcos Alves Vaz

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The teaching of physics in Brazilian public schools emphasizes strongly the theoretical aspects of this science, showing its philosophical and mathematical basis, but neglecting its experimental character. Perhaps the lack of science laboratories explains this practice. In this work, we present a method of teaching physics using the computer. As alternatives to real experiments, we have the trials through simulators, many of which are free software available on the internet. In order to develop a study on the use of simulators in teaching, knowing the impossibility of simulations on all topics in a given subject, we combined these programs with phenomenological and/or experimental texts in order to mitigate this limitation. This study proposes the use of simulators and the debate using phenomenological/experimental texts on electrostatic theme in groups of the 3rd year of EJA (Adult and Youth Education) in order to verify the advantages of this methodology. Some benefits of the hybridization of the traditional method with the tools used were: Greater motivation of the students in learning, development of experimental notions, proactive socialization to learning, greater easiness to understand some concepts and the creation of collaborative activities that can reduce timidity of part of the students.

Keywords: experimentation, learning physical, simulators, youth and adult

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Authors: Tugba Gurler, Irfan Kurtbas

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Roof influences considerably energy demand of buildings. In order to reduce this energy demand, various solutions have been proposed, such as roofs with variable thermal insulation, cool roofs, green roofs, heat exchangers and ventilated roofs, and phase change material (PCM) layered roofs. PCMs suffer from relatively low thermal conductivity despite of their promise of the energy-efficiency initiatives for thermal energy storage (TES). This study not only presents the thermal performance of the concrete roof with PCM layers but also evaluates the products with different design configurations and thicknesses under Central Anatolia Region, Turkey and Nottinghamshire, UK weather conditions. System design limitations and proposed prediction models are discussed in this study. A two-dimensional numerical model has been developed, and governing equations have been solved at each time step. Upper surfaces of the roofs have been modelled with heat flux conditions, while lower surfaces of the roofs with boundary conditions. In addition, suitable roofs have been modeled under symmetry boundary conditions. The results of the designed concrete roofs with PCM layers have been compared with common concrete roofs in Turkey. The UK and the numerical modeling results have been validated with the data given in the literature.

Keywords: phase change material, regional energy demand, roof layers, thermal energy storage

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Authors: Harish Rajak, Preeti Patel

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HDAC inhibitors can reactivate gene expression and inhibit the growth and survival of cancer cells. The 3D-QSAR and Pharmacophore modeling studies were performed to identify important pharmacophoric features and correlate 3D-chemical structure with biological activity. The pharmacophore hypotheses were developed using e-pharmacophore script and phase module. Pharmacophore hypothesis represents the 3D arrangement of molecular features necessary for activity. A series of 55 compounds with well-assigned HDAC inhibitory activity was used for 3D-QSAR model development. Best 3D-QSAR model, which is a five PLS factor model with good statistics and predictive ability, acquired Q2 (0.7293), R2 (0.9811) and standard deviation (0.0952). Molecular docking were performed using Histone Deacetylase protein (PDB ID: 1t69) and prepared series of hydroxamic acid based HDAC inhibitors. Docking study of compound 43 show significant binding interactions Ser 276 and oxygen atom of dioxine cap region, Gly 151 and amino group and Asp 267 with carboxyl group of CONHOH, which are essential for anticancer activity. On docking, most of the compounds exhibited better glide score values between -8 to -10.5. We have established structure activity correlation using docking, energetic based pharmacophore modelling, pharmacophore and atom based 3D QSAR model. The results of these studies were further used for the design and testing of new HDAC analogs.

Keywords: Docking, e-pharmacophore, HDACIs, QSAR, Suberoylanilidehydroxamic acid.

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Authors: Wlodzimierz Ogryczak, Tomasz Sliwinski, Jaroslaw Hurkala, Mariusz Kaleta, Bartosz Kozlowski, Piotr Palka

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Implementation concepts of a decision support system for planning and management of mobile personnel tasks (sales representatives and others) are discussed. Large-scale periodic time-dependent vehicle routing and scheduling problems with complex constraints are solved for this purpose. Complex nonuniform constraints with respect to frequency, time windows, working time, etc. are taken into account with additional fast adaptive procedures for operational rescheduling of plans in the presence of various disturbances. Five individual solution quality indicators with respect to a single personnel person are considered. This paper deals with modeling issues corresponding to the problem and general solution concepts. The research was supported by the European Union through the European Regional Development Fund under the Operational Programme ‘Innovative Economy’ for the years 2007-2013; Priority 1 Research and development of modern technologies under the project POIG.01.03.01-14-076/12: 'Decision Support System for Large-Scale Periodic Vehicle Routing and Scheduling Problems with Complex Constraints.'

Keywords: mobile personnel management, multiple criteria, time dependent, time windows, vehicle routing and scheduling

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Authors: M. D. Levi, Netanel Shpigel, Sergey Sigalov, Gregory Salitra, Leonid Daikhin, Doron Aurbach

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We have developed an in-situ method for tracking ions adsorption into composite nanoporous carbon electrodes based on quartz-crystal microbalance (QCM). In these first papers QCM was used as a simple gravimetric probe of compositional changes in carbon porous composite electrodes during their charging since variation of the electrode potential did not change significantly width of the resonance. In contrast, when we passed from nanoporous carbons to a composite Li-ion battery material such as LiFePO4 olivine, the change in the resonance width was comparable with change of the resonance frequency (polymeric binder PVdF was shown to be completely rigid when used in aqueous solutions). We have provided a quantitative hydrodynamic admittance model of ion-insertion processes into electrode host accompanied by intercalation-induced dimensional changes of electrode particles, and hence the entire electrode coating. The change in electrode deformation and the related porosity modify hydrodynamic solid-liquid interactions tracked by QCM with dissipation monitoring. Using admittance modeling, we are able to evaluate the changes of effective thickness and permeability/porosity of composite electrode caused by applied potential and as a function of cycle number. This unique non-destructive technique may have great advantage in early diagnostics of cycling life durability of batteries and supercapacitors.

Keywords: Li-ion batteries, particles deformations, QCM-D, viscoelasticity

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Authors: Evgeniia V. Mekhonoshina, Vladimir Ya. Modorskii, Vasilii Yu. Petrov

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At present, vibrations of rotors of gas transmittal unit evade sustainable forecasting. This paper describes elastic oscillation modes in resilient supports and rotor impellers modeled during computational experiments with regard to interference in the system of gas-dynamic flow and compressor rotor. Verification of aeroelastic approach was done on model problem of interaction between supersonic jet in shock tube with deformed plate. ANSYS 15.0 engineering analysis system was used as a modeling tool of numerical simulation in this paper. Finite volume method for gas dynamics and finite elements method for assessment of the strain stress state (SSS) components were used as research methods. Rotation speed and material’s elasticity modulus varied during calculations, and SSS components and gas-dynamic parameters in the dynamic system of gas-dynamic flow and compressor rotor were evaluated. The analysis of time dependence demonstrated that gas-dynamic parameters near the rotor blades oscillate at 200 Hz, and SSS parameters at the upper blade edge oscillate four times higher, i.e. with blade frequency. It has been detected that vibration amplitudes correction in the test points at magnetic bearings by aeroelasticity may correspond up to 50%, and about -π/4 for phases.

Keywords: Centrifugal compressor, aeroelasticity, interdisciplinary calculation, oscillation phase displacement, vibration, nonstationarity

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Authors: Cinthia Campoverde, Mateo Benavidez, Victor Arias, Milton Torres

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This article evaluates and compares three propagation models: the Okumura-Hata model, the Ericsson 9999 model, and the SUI model. The inclusion of vegetation attenuation in the area is also taken into account. These mathematical models aim to predict the power loss between a transmitting antenna (Tx) and a receiving antenna (Rx). The study was conducted in the open areas of the Livestock Department at the Escuela Superior Politécnica de Chimborazo (ESPOCH) University, located in the city of Riobamba, Ecuador. The necessary parameters for each model were calculated, considering LTE technology. The transmitting antenna belongs to the mobile phone company ”TUENTI” in Band 2, operating at a frequency of 1940 MHz. The reception power data in the area were empirically measured using the ”Network Cell Info” application. A total of 170 samples were collected, distributed across 19 radius, forming concentric circles around the transmitting antenna. The results demonstrate that the Okumura Hata urban model provides the best fit to the measured data.

Keywords: propagation models, reception power, LTE, power losses, correction factor

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Authors: P. Deepak Kumar, P. R. Maiti

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In recent years, sediment scour near bridge piers and abutment is a serious problem which causes nationwide concern because it has resulted in more bridge failures than other causes. Scour is the formation of scour hole around the structure mounted on and embedded in erodible channel bed due to the erosion of soil by flowing water. The formation of scour hole around the structures depends upon shape and size of the pier, depth of flow as well as angle of attack of flow and sediment characteristics. The flow characteristics around these structures change due to man-made obstruction in the natural flow path which changes the kinetic energy of the flow around these structures. Excessive scour affects the stability of the foundation of the structure by the removal of the bed material. The accurate estimation of scour depth around bridge pier is very difficult. The foundation of bridge piers have to be taken deeper and to provide sufficient anchorage length required for stability of the foundation. In this study, computational model simulations using a 3D Computational Fluid Dynamics (CFD) model were conducted to examine the mechanism of scour around a cylindrical pier. Subsequently, the flow characteristics around these structures are presented for different flow conditions. Mechanism of scouring phenomenon, the formation of vortex and its consequent effect is discussed for a straight channel. Effort was made towards estimation of scour depth around bridge piers under different flow conditions.

Keywords: bridge pier, computational fluid dynamics, multigrid, pier shape, scour

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Authors: Shahin A. Abdel-Naby, Asad T. Hassan

Abstract:

Electron-ion recombination data are needed for plasma modeling. The recombination processes include radiative recombination (RR), dielectronic recombination (DR), and trielectronic recombination (TR). When a free electron is captured by an ion with simultaneous excitation of its core, a doubly-exited intermediate state may be formed. The doubly excited state relaxes either by electron emission (autoionization) or by radiative decay (photon emission). DR process takes place when the relaxation occurs to a bound state by photon emission. Reliable laboratory astrophysics data (theory and experiment) for DR rate coefficients are needed to determine the charge state distribution in photoionized sources such as X-ray binaries and active galactic nuclei. DR rate coefficients for NIII and OIV ions are calculated using state-of-the-art multi-configuration Breit-Pauli atomic structure AUTOSTRUCTURE collisional package within the generalized collisional-radiative framework. Level-resolved calculations for RR and DR rate coefficients from the ground and metastable initial states are produced in an intermediate coupling scheme associated with Δn = 0 (2→2) and Δn = 1 (2 →3) core-excitations. DR cross sections for these ions are convoluted with the experimental electron-cooler temperatures to produce DR rate coefficients. Good agreements are found between these rate coefficients and the experimental measurements performed at the CRYRING heavy-ion storage ring for both ions.

Keywords: atomic data, atomic process, electron-ion collision, plasmas

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Authors: Reza Dinarvand, Mahdi Sadeghian, Somaye Sadeghian

Abstract:

Prediction of the ultimate bearing capacity of piles (Qu) is one of the basic issues in geotechnical engineering. So far, several methods have been used to estimate Qu, including the recently developed artificial intelligence methods. In recent years, optimization algorithms have been used to minimize artificial network errors, such as colony algorithms, genetic algorithms, imperialist competitive algorithms, and so on. In the present research, artificial neural networks based on colonial competition algorithm (ANN-ICA) were used, and their results were compared with other methods. The results of laboratory tests of short piles in clayey soils with parameters such as pile diameter, pile buried length, eccentricity of load and undrained shear resistance of soil were used for modeling and evaluation. The results showed that ICA-based artificial neural networks predicted lateral bearing capacity of short piles with a correlation coefficient of 0.9865 for training data and 0.975 for test data. Furthermore, the results of the model indicated the superiority of ICA-based artificial neural networks compared to back-propagation artificial neural networks as well as the Broms and Hansen methods.

Keywords: artificial neural network, clayey soil, imperialist competition algorithm, lateral bearing capacity, short pile

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Authors: S. H. Abo Sabah, A. B. H. Kueh, M. A. Megat Johari, T. A. Majid

Abstract:

In a recent study, a new bio-inspired honeycomb sandwich beam (BHSB) mimicking the head configuration of the woodpecker was developed. The beam consists of two carbon/epoxy composite face sheets, aluminum honeycomb core, and rubber core to enhance the repeated low-velocity impact resistance of sandwich structures. This paper aims to numerically enhance the repeated low-velocity impact resistance of the BHSB via optimizing the aluminum honeycomb core thickness. The beam was investigated employing three core thicknesses: 20 mm, 25 mm, and 30 mm at three impact energy levels (13.5 J, 15.55 J, 21.43 J). The results revealed that increasing the thickness of the aluminum honeycomb core to a certain level enhances the sandwich beam stiffness. The beam with the 25 mm honeycomb core thickness was the only beam that can sustain five repeated impacts achieving the highest impact resistance efficiency index, especially at high energy levels. Furthermore, the bottom face sheet of this beam developed the lowest stresses indicating that this thickness has a relatively better performance during impact events since it allowed minimal stress to reach the bottom face sheet. Overall, increasing the aluminum core thickness will increase the height of its cells subjecting it to buckling phenomenon. Therefore, this study suggests that the optimal thickness of the aluminum honeycomb core should be 65 % of the overall thickness of the sandwich beam to have the best impact resistance.

Keywords: sandwich beams, core thickness, impact behavior, finite element analysis, modeling

Procedia PDF Downloads 131