Search results for: large-scale modeling and simulation

Authors: Salah Aguib, Noureddine Chikh, Abdelmalek Khabli, Abdelkader Nour, Toufik Djedid, Lallia Kobzili

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This study presents the behavior of a hybrid smart sandwich plate with a magnetorheological elastomer core. In order to improve the vibrational behavior of the plate, the pseudo‐fibers formed by the effect of the magnetic field on the elastomer charged by the ferromagnetic particles are oriented at 45° with respect to the direction of the magnetic field at 0°. Ritz's approach is taken to solve the physical problem. In order to verify and compare the results obtained by the Ritz approach, an analysis using the finite element method was carried out. The rheological property of the MRE material at 0° and at 45° are determined experimentally, The studied elastomer is prepared by a mixture of silicone oil, RTV141A polymer, and 30% of iron particles of total mixture, the mixture obtained is mixed for about 15 minutes to obtain an elastomer paste with good homogenization. In order to develop a magnetorheological elastomer (MRE), this paste is injected into an aluminum mold and subjected to a magnetic field. In our work, we have chosen an ideal percentage of filling of 30%, to obtain the best characteristics of the MRE. The mechanical characteristics obtained by dynamic mechanical viscoanalyzer (DMA) are used in the two numerical approaches. The natural frequencies and the modal damping of the sandwich plate are calculated and discussed for various magnetic field intensities. The results obtained by the two methods are compared. These off‐axis anisotropic MRE structures could open up new opportunities in various fields of aeronautics, aerospace, mechanical engineering and civil engineering.

Keywords: hybrid smart sandwich plate, vibratory behavior, FEM, Ritz approach, MRE

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Authors: Danish Idrees, Vijay Kumar, Samudrala Gourinath

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Amyotrophic lateral sclerosis (ALS) is a neurodegenerative disease caused by misfolding and aggregation of Cu, Zn superoxide dismutase (SOD1). The use of small molecules has been shown to stabilize the SOD1 dimer and preventing its dissociation and aggregation. In this study, we employed molecular docking, molecular dynamics simulation and surface plasmon resonance (SPR) to study the interactions between SOD1 and natural polyphenolic compounds. In order to explore the noncovalent interaction between SOD1 and natural polyphenolic compounds, molecular docking and molecular dynamic (MD) simulations were employed to gain insights into the binding modes and free energies of SOD1-polyphenolic compounds. MM/PBSA methods were used to calculate free energies from obtained MD trajectories. The compounds, Hesperidin, Ergosterol, and Rutin showed the excellent binding affinity in micromolar range with SOD1. Ergosterol and Hesperidin have the strongest binding affinity to SOD1 and was subjected to further characterization. Biophysical experiments using Circular Dichroism and Thioflavin T fluorescence spectroscopy results show that the binding of these two compounds can stabilize SOD1 dimer and inhibit the aggregation of SOD1. Molecular simulation results also suggest that these compounds reduce the dissociation of SOD1 dimers through direct interaction with the dimer interface. This study will be helpful to develop other drug-like molecules which may have the effect to reduce the aggregation of SOD1.

Keywords: amyotrophic lateral sclerosis, molecular dynamics simulation, surface plasmon resonance, superoxide dismutase

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Authors: Wided Bakari, Patrice Bellot, Omar Trigui, Mahmoud Neji

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This article constitutes an opening to think of the modeling and analysis of Arabic texts in the context of a question-answer system. It is a question of exceeding the traditional approaches focused on morphosyntactic approaches. Furthermore, we present a new approach that analyze a text in order to extract correct answers then transform it to logical predicates. In addition, we would like to represent different levels of information within a text to answer a question and choose an answer among several proposed. To do so, we transform both the question and the text into logical forms. Then, we try to recognize all entailment between them. The results of recognizing the entailment are a set of text sentences that can implicate the user’s question. Our work is now concentrated on an implementation step in order to develop a system of question-answering in Arabic using techniques to recognize textual implications. In this context, the extraction of text features (keywords, named entities, and relationships that link them) is actually considered the first step in our process of text modeling. The second one is the use of techniques of textual implication that relies on the notion of inference and logic representation to extract candidate answers. The last step is the extraction and selection of the desired answer.

Keywords: NLP, Arabic language, question-answering, recognition text entailment, logic forms

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Authors: Feng Wang, Vladislav Vasilyev

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Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.

Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene

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Authors: Seif Naoui, Lassaad Latrach, Ali Gharsallah

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This paper is specialized to highlight the method of miniaturization and improvement the patch antenna by using the complementary metamaterial. This method is presented by a simple technique is composed a structure of patch antenna integrated in its surface a cell of complementary split ring resonator. This resonator is placed at the middle of the radiating patch in parallel with the transmission line and with a variable angle of orientation. The objective is to find the ultimate angle where the best results are obtained on improving the characteristics of the considered antenna. This motif widespread at the traceability applications by wireless communication for RFID technology at the operation frequency 2.45 GHz. Our contribution is based on studies empirical often presented in this article. All simulation results were made by the CST Microwave Studio.

Keywords: complimentary split ring resonators, computer simulation technology microwave studio, metamaterials patch antennas, microstrip patch antenna, radio frequency identification

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Authors: Mouhamadou Diop, Mohamed I. Hassan

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Molten metallic flow in metallurgical plant is highly turbulent and presents a complex coupling with heat transfer, phase transfer, chemical reaction, momentum transport, etc. Molten silicon flow has significant effect in directional solidification of multicrystalline silicon by affecting the temperature field and the emerging crystallization interface as well as the transport of species and impurities during casting process. Owing to the complexity and limits of reliable measuring techniques, computational models of fluid flow are useful tools to study and quantify these problems. The overall objective of this study is to investigate the potential of a traveling magnetic field for an efficient operating control of the molten metal flow. A multidimensional numerical model will be developed for the calculations of Lorentz force, molten metal flow, and the related phenomenon. The numerical model is implemented in a laboratory-scale silicon crystallization furnace. This study presents the potential of traveling magnetic field approach for an efficient operating control of the molten flow. A numerical model will be used to study the effects of magnetic force applied on the molten flow, and their interdependencies. In this paper, coupled and decoupled, steady and unsteady models of molten flow and crystallization interface will be compared. This study will allow us to retrieve the optimal traveling magnetic field parameter range for crystallization furnaces and the optimal numerical simulations strategy for industrial application.

Keywords: multidimensional, numerical simulation, solidification, multicrystalline, traveling magnetic field

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Authors: Ravinder Singh, Ankita Gurao, Saroj Bandhan, Sudhir Kumar Kashyap

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The Bos taurus Beta defensin 3 is a defensin peptide secreted by neutrophils and epithelial that exhibits anti-microbial activity. It is one of the crucial components forming an innate defense against intra mammary infections in livestock. The beta defensin 3 by virtue of its anti-microbial activity inhibits major mastitis pathogens including Staphylococcus aureus and Pseudomonas aeruginosa etc, which are also responsible for biofilm formation leading to antibiotic resistance phenomenon. Therefore, the defensin may prove as a non-conventional option to treat mastitis. In this study, computational analysis has been performed including sequence comparison among species and homology modeling of Bos taurus beta defensin 3 protein. The assessments of protein structure were done using the protein structure and model assessment tools integrated in Swiss Model server, which employs various local and global quality evaluation parameters. Further, molecular docking was also carried out between the defensin peptide and the components of biofilm to gain insight into various interactions and structural differences crucial for functionality of this protein.

Keywords: beta defensin 3, bos taurus, docking, homology modeling

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Authors: Ashvinie Thembiliyagoda, Kasun De Silva, Nimal Wijayaratna

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The lowering of the riverbed level as a result of water erosion is termed as scouring. This phenomenon remarkably undermines the potential stability of the bridge pier, causing a threat of failure or collapse. The formation of vortices in the vicinity of bridges due to the obstruction caused by river flow is the main reason behind this pursuit. Scouring is aggravated by factors including high flow rates, bridge pier geometry, sediment configuration etc. Tackling scour-related problems when they become severe is more costly and disruptive compared to implementing preventive measures based on predicted scour depths. This paper presents a comprehensive investigation of the development of a numerical model that could reproduce the scouring effect around bridge piers and estimate the scour depth. The numerical model was developed for one selected bridge in Sri Lanka, the Kelanisiri Bridge. HEC-RAS two-dimensional (2D) modeling approach was utilized for the development of the model and was calibrated and validated with field data. To further enhance the reliability of the model, a physical model was developed, allowing for additional validation. Results from the numerical model were compared with those obtained from the physical model, revealing a strong correlation between the two methods and confirming the numerical model's accuracy in predicting scour depths. The findings from this study underscore the ability of the HEC-RAS two-dimensional modeling approach for the estimation of scour depth around bridge piers. The developed model is able to estimate the scour depth under varying flow conditions, and its flexibility allows it to be adapted for application to other bridges with similar hydraulic and geomorphological conditions, providing a robust tool for widespread use in scour estimation. The developed two-dimensional model not only offers reliable predictions for the case study bridge but also holds significant potential for broader implementation, contributing to the improved design and maintenance of bridge structures in diverse environments.

Keywords: piers, scouring, HEC-RAS, physical model

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Authors: Abdelrahman Taha, Niloofar Malekghaini, Hamed Ebrahimian, Ramin Motamed

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This paper compares the substructure and direct methods for soil-structure interaction (SSI) analysis in the time domain. In the substructure SSI method, the soil domain is replaced by a set of springs and dashpots, also referred to as the impedance function, derived through the study of the behavior of a massless rigid foundation. The impedance function is inherently frequency dependent, i.e., it varies as a function of the frequency content of the structural response. To use the frequency-dependent impedance function for time-domain SSI analysis, the impedance function is approximated at the fundamental frequency of the structure-soil system. To explore the potential limitations of the substructure modeling process, a two-dimensional reinforced concrete frame structure is modeled using substructure and direct methods in this study. The results show discrepancies between the simulated responses of the substructure and the direct approaches. To isolate the effects of higher modal responses, the same study is repeated using a harmonic input motion, in which a similar discrepancy is still observed between the substructure and direct approaches. It is concluded that the main source of discrepancy between the substructure and direct SSI approaches is likely attributed to the way the impedance functions are calculated, i.e., assuming a massless rigid foundation without considering the presence of the superstructure. Hence, a refined impedance function, considering the presence of the superstructure, shall be developed. This refined impedance function is expected to significantly improve the simulation accuracy of the substructure approach for structural systems whose behavior is dominated by the fundamental mode response.

Keywords: direct approach, impedance function, soil-structure interaction, substructure approach

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Authors: David Pham, Yongfeng Zhang

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Graphs are an important structure for data storage and computation. Recent years have seen the success of deep learning on graphs such as Graph Neural Networks (GNN) on various data mining and machine learning tasks. However, most of the deep learning models on graphs cannot easily explain their predictions and are thus often labelled as “black boxes.” For example, Graph Attention Network (GAT) is a frequently used GNN architecture, which adopts an attention mechanism to carefully select the neighborhood nodes for message passing and aggregation. However, it is difficult to explain why certain neighbors are selected while others are not and how the selected neighbors contribute to the final classification result. In this paper, we present a graph learning model called Explainable Graph Attention Network (XGAT), which integrates graph attention modeling and explainability. We use a single model to target both the accuracy and explainability of problem spaces and show that in the context of graph attention modeling, we can design a unified neighborhood selection strategy that selects appropriate neighbor nodes for both better accuracy and enhanced explainability. To justify this, we conduct extensive experiments to better understand the behavior of our model under different conditions and show an increase in both accuracy and explainability.

Keywords: explainable AI, graph attention network, graph neural network, node classification

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Authors: I. Made Gatot Karohika, Shigeyuki Haruyama, Ken Kaminishi, Oke Oktavianty, Didik Nurhadiyanto

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Contact width and contact stress are important parameters related to the leakage behavior of corrugated metal gasket. In this study, contact width and contact stress of three-layer corrugated metal gasket are investigated due to the modulus of elasticity and thickness of surface layer for 2 type gasket (0-MPa and 400-MPa mode). A finite element method was employed to develop simulation solution to analysis the effect of each parameter. The result indicated that lowering the modulus of elasticity ratio of surface layer will result in better contact width but the average contact stresses are smaller. When the modulus of elasticity ratio is held constant with thickness ratio increase, its contact width has an increscent trend otherwise the average contact stress has decreased trend.

Keywords: contact width, contact stress, layer, metal gasket, corrugated, simulation

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Authors: Majid Bayatian, Mohammadreza Ashouri

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Releasing hazardous chemicals is one of the major problems for office buildings in the chemical industry and, therefore, environmental risks are inherent to these environments. The adverse health effects of the airborne concentration of benzene have been a matter of significant concern, especially in oil refineries. The chronic and acute adverse health effects caused by benzene exposure have attracted wide attention. Acute exposure to benzene through inhalation could cause headaches, dizziness, drowsiness, and irritation of the skin. Chronic exposures have reported causing aplastic anemia and leukemia at the occupational settings. Association between chronic occupational exposure to benzene and the development of aplastic anemia and leukemia were documented by several epidemiological studies. Numerous research works have investigated benzene emissions and determined benzene concentration at different locations of the refinery plant and stated considerable health risks. The high cost of industrial control measures requires justification through lifetime health risk assessment of exposed workers and the public. In the present study, a Computational Fluid Dynamics (CFD) model has been proposed to assess the exposure risk of office building around a refinery due to its release of benzene. For simulation, GAMBIT, FLUENT, and CFD Post software were used as pre-processor, processor, and post-processor, and the model was validated based on comparison with experimental results of benzene concentration and wind speed. Model validation results showed that the model is highly validated, and this model can be used for health risk assessment. The simulation and risk assessment results showed that benzene could be dispersion to an office building nearby, and the exposure risk has been unacceptable. According to the results of this study, a validated CFD model, could be very useful for decision-makers for control measures and possibly support them for emergency planning of probable accidents. Also, this model can be used to assess exposure to various types of accidents as well as other pollutants such as toluene, xylene, and ethylbenzene in different atmospheric conditions.

Keywords: health risk assessment, office building, Benzene, numerical simulation, CFD

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Authors: Aleksandra Majchrzak, Katarzyna Baruch, Monika Sobolewska, Bartlomiej Chojnacki, Adam Pilch

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Scaled modeling is very common in the areas of science such as aerodynamics or fluid mechanics, since defining characteristic numbers enables to determine relations between objects under test and their models. In acoustics, scaled modeling is aimed mainly at investigation of room acoustics, sound insulation and sound absorption phenomena. Despite such a range of application, there is no method developed that would enable scaling acoustical perforated panels freely, maintaining their sound absorption coefficient in a desired frequency range. However, conducted theoretical and numerical analyses have proven that it is not physically possible to obtain given sound absorption coefficient in a desired frequency range by directly scaling only all of the physical dimensions of a perforated panel, according to a defined characteristic number. This paper is a continuation of the research mentioned above and presents practical evaluation of theoretical and numerical analyses. The measurements of sound absorption coefficient of perforated panels were performed in order to verify previous analyses and as a result find the relations between full-scale perforated panels and their models which will enable to scale them properly. The measurements were conducted in a one-to-eight model of a reverberation chamber of Technical Acoustics Laboratory, AGH. Obtained results verify theses proposed after theoretical and numerical analyses. Finding the relations between full-scale and modeled perforated panels will allow to produce measurement samples equivalent to the original ones. As a consequence, it will make the process of designing acoustical perforated panels easier and will also lower the costs of prototypes production. Having this knowledge, it will be possible to emulate in a constructed model panels used, or to be used, in a full-scale room more precisely and as a result imitate or predict the acoustics of a modeled space more accurately.

Keywords: characteristic numbers, dimensional analysis, model study, scaled modeling, sound absorption coefficient

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Authors: Aristeidis Samitas, Stathis Polyzos

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As the UK and the EU prepare to start negotiations for Brexit, it is important for both sides to comprehend the full extent of the consequences of this process. In this paper, we employ an object oriented simulation framework in order to test for the short-term and long-term effects of Brexit on both sides of the Channel. The relative strength of the UK economy and the banking sector vis-à-vis the EU is taken under consideration. Our results confirm predictions in the relevant literature regarding the output cost of Brexit, with particular emphasis on the EU. Furthermore, we show that financial stability is also an important issue on both sides, with the banking system suffering significant losses, particularly over the longer term. Our findings suggest that policymakers should be extremely careful in handling Brexit negotiations, making sure to consider dynamic effects that may be caused by UK bank assets moving to the EU after Brexit. The model results show that, as the UK banking system loses its assets, the end state of the UK economy is deteriorated while the end state of EU economy is improved.

Keywords: Banking Crises, Brexit, Financial Stability, VBanking

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Authors: Pawel Magryta, Tytus Tulwin, Paweł Karpiński

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The ASz62IR engine is a radial aircraft engine with 9 cylinders. This object is produced by the Polish company WSK "PZL-KALISZ" S.A. This is engine is currently being developed by the above company and Lublin University of Technology. In order to provide an effective work of the technological development of this unit it was decided to made the simulation model. The model of ASz-62IR was developed with AVL BOOST software which is a tool dedicated to the one-dimensional modeling of internal combustion engines. This model can be used to calculate parameters of an air and fuel flow in an intake system including charging devices as well as combustion and exhaust flow to the environment. The main purpose of this model is the analysis of the charge exchange and mixture formation in this engine. For this purpose, the model consists of elements such: as air inlet, throttle system, compressor connector, charging compressor, inlet pipes and injectors, outlet pipes, fuel injection and model of fuel mixing and evaporation. The model of charge exchange and mixture formation was based on the model of mass flow rate in intake and exhaust pipes, and also on the calculation of gas properties values like gas constant or thermal capacity. This model was based on the equations to describe isentropic flow. The energy equation to describe flow under steady conditions was transformed into the mass flow equation. In the model the flow coefficient μσ was used, that varies with the stroke/valve opening and was determined in a steady flow state. The geometry of the inlet channels and other key components was mapped with reference to the technical documentation of the engine and empirical measurements of the structure elements. The volume of elements on the charge flow path between the air inlet and the exhaust outlet was measured by the CAD mapping of the structure. Taken from the technical documentation, the original characteristics of the compressor engine was entered into the model. Additionally, the model uses a general model for the transport of chemical compounds of the mixture. There are 7 compounds used, i.e. fuel, O2, N2, CO2, H2O, CO, H2. A gasoline fuel of a calorific value of 43.5 MJ/kg and an air mass fraction for stoichiometric mixture of 14.5 were used. Indirect injection into the intake manifold is used in this model. The model assumes the following simplifications: the mixture is homogenous at the beginning of combustion, accordingly, mixture stoichiometric coefficient A/F remains constant during combustion, combusted and non-combusted charges show identical pressures and temperatures although their compositions change. As a result of the simulation studies based on the model described above, the basic parameters of combustion process, charge exchange, mixture formation in cylinders were obtained. The AVL Boost software is very useful for the piston engine performance simulations. This work has been financed by the Polish National Centre for Research and Development, INNOLOT, under Grant Agreement No. INNOLOT/I/1/NCBR/2013.

Keywords: aviation propulsion, AVL Boost, engine model, charge exchange, mixture formation

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Authors: Xiuzhan Guo, Arthur Berrill, Ajinkya Kulkarni, Kostya Belezko, Min Luo

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Ontology operations, e.g., aligning and merging, were studied and implemented extensively in different settings, such as categorical operations, relation algebras, and typed graph grammars, with different concerns. However, aligning and merging operations in the settings share some generic properties, e.g., idempotence, commutativity, associativity, and representativity, labeled by (I), (C), (A), and (R), respectively, which are defined on an ontology merging system (D~M), where D is a non-empty set of the ontologies concerned, ~ is a binary relation on D modeling ontology aligning and M is a partial binary operation on D modeling ontology merging. Given an ontology repository, a finite set O ⊆ D, its merging closure Ô is the smallest set of ontologies, which contains the repository and is closed with respect to merging. If (I), (C), (A), and (R) are satisfied, then both D and Ô are partially ordered naturally by merging, Ô is finite and can be computed, compared, and sorted efficiently, including sorting, selecting, and querying some specific elements, e.g., maximal ontologies and minimal ontologies. We also show that the ontology merging system, given by ontology V -alignment pairs and pushouts, satisfies the properties: (I), (C), (A), and (R) so that the merging system is partially ordered and the merging closure of a given repository with respect to pushouts can be computed efficiently.

Keywords: ontology aligning, ontology merging, merging system, poset, merging closure, ontology V-alignment pair, ontology homomorphism, ontology V-alignment pair homomorphism, pushout

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Authors: Chan Jong Park, Hye Min Park, Jeong Ho Kim, Ki Hyun Park, Koan Sik Joo

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This research used the MCNPX simulation program to evaluate the utility of a filter that was developed to minimize the damage to a semiconductor device during defect testing with X-ray. The X-ray generator was designed using the MCNPX code, and the X-ray absorption spectrum of the semiconductor device was obtained based on the designed X-ray generator code. To evaluate the utility of the filter, the X-ray absorption rates of the semiconductor device were calculated and compared for Ag, Rh, Mo and V filters with thicknesses of 25μm, 50μm, and 75μm. The results showed that the X-ray absorption rate varied with the type and thickness of the filter, ranging from 8.74% to 49.28%. The Rh filter showed the highest X-ray absorption rates of 29.8%, 15.18% and 8.74% for the above-mentioned filter thicknesses. As shown above, the characteristics of the X-ray absorption with respect to the type and thickness of the filter were identified using MCNPX simulation. With these results, both time and expense could be saved in the production of the desired filter. In the future, this filter will be produced, and its performance will be evaluated.

Keywords: X-ray, MCNPX, filter, semiconductor, damage

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Authors: Timothy O. Adekunle, Sigridur Bjarnadottir

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Several studies have investigated thermal behavior of buildings with limited studies focusing on high-rise buildings. Of the limited investigations that have considered thermal performance of high-rise buildings, only a few studies have considered thermal behavior of high-rise structural sustainable buildings. As a result, this study investigates the thermal behavior of a high-rise structural timber building. The study aims to understand the thermal environment of a high-rise structural timber block of apartments located in East London, UK by comparing the indoor environmental conditions at different floors (ground and upper floors) of the building. The environmental variables (temperature and relative humidity) were measured at 15-minute intervals for a few weeks in the summer of 2012 to generate data that was considered for calibration and validation of the simulated results. The study employed mainly dynamic thermal building simulation using DesignBuilder by EnergyPlus and supplemented with environmental monitoring as major techniques for data collection and analysis. The weather file (Test Reference Years- TRYs) for the 2000s from the weather generator carried out by the Prometheus Group was considered for the simulation since the study focuses on investigating thermal behavior of high-rise structural timber buildings in the summertime and not in extreme summertime. In this study, the simulated results (May-September of the 2000s) will be the focus of discussion, but the results will be briefly compared with the environmental monitoring results. The simulated results followed a similar trend with the findings obtained from the short period of the environmental monitoring at the building. The results revealed lower temperatures are often predicted (at least 1.1°C lower) at the ground floor than the predicted temperatures at the upper floors. The simulated results also showed that higher temperatures are predicted in spaces at southeast facing (at least 0.5°C higher) than spaces in other orientations across the floors considered. There is, however, a noticeable difference between the thermal environment of spaces when the results obtained from the environmental monitoring are compared with the simulated results. The field survey revealed higher temperatures were recorded in the living areas (at least 1.0°C higher) while higher temperatures are predicted in bedrooms (at least 0.9°C) than living areas for the simulation. In addition, the simulated results showed spaces on lower floors of high-rise structural timber buildings are predicted to provide more comfortable thermal environment than spaces on upper floors in summer, but this may not be the same in wintertime due to high upward movement of hot air to spaces on upper floors.

Keywords: building simulation, high-rise, structural timber buildings, sustainable, temperatures, thermal behavior

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Authors: Sanja Podunavac-Kuzmanović, Strahinja Kovačević, Lidija Jevrić, Evgenija Djurendić, Jovana Ajduković

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In the present study, the molecular modeling of a series of 24 17-picolyl and 17-picolinylidene androstane derivatives whit significant anticancer activity was carried out. Modelling of studied compounds was performed by CS ChemBioDraw Ultra v12.0 program for drawing 2D molecular structures and CS ChemBio3D Ultra v12.0 for 3D molecular modelling. The obtained 3D structures were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. Full geometry optimization was done by the Austin Model 1 (AM1) until the root mean square (RMS) gradient reached a value smaller than 0.0001 kcal/Åmol using Molecular Orbital Package (MOPAC) program. The obtained physicochemical, lipophilicity and topological descriptors were used for analysis of molecular similarities and dissimilarities applying suitable chemometric methods (principal component analysis and cluster analysis). These results are the part of the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina and CMST COST Action CM1306.

Keywords: androstane derivatives, anticancer activity, chemometrics, molecular descriptors

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Authors: Azlina Binti Abu Bakar, Fahmi Zaidi Bin Abdul Razak, Wan Salihin Wong Abdullah

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Psychographic is a psychological study of values, attitudes, interests and it is used mostly in prediction, opinion research and social research. This study predicts the influence of performance expectancy, effort expectancy, social influence and facilitating condition on e-government acceptance among Malaysian citizens. The survey responses of 543 e-government users have been validated and analyzed by means of covariance-based Structural Equation Modeling. The findings indicate that e-government acceptance among Malaysian citizens are mainly influenced by performance expectancy (β = 0.66, t = 11.53, p < 0.01) and social influence (β = 0.20, t = 4.23, p < 0.01). Surprisingly, there is no significant effect of facilitating condition and effort expectancy on e-government continuance intention (β = 0.01, t = 0.27, p > 0.05; β = -0.01, t = -0.40, p > 0.05). This study offers government and vendors a frame of reference to analyze citizen’s situation before initiating new innovations. In case of Malaysian e-government technology, adoption strategies should be built around fostering level of citizens’ technological expectation and social influence on e-government usage.

Keywords: continuance intention, Malaysian citizen, media psychology, structural equation modeling

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Authors: A. Alkattib, M. Boumaza

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Steam reforming is industrially important as it is incorporated in several major chemical processes including the production of ammonia, methanol, hydrogen and ox alcohols. Due to the strongly endothermic nature of the process, a large amount of heat is supplied by fuel burning (commonly natural gas) in the furnace chamber. Reaction conversions, tube catalyst life, energy consumption and CO2 emission represent the principal factors affecting the performance of this unit and are directly influenced by the high operating temperatures and pressures. This study presents a simulation of the performance of the reforming of methane in a primary reformer, through a developed empirical relation which enables to investigate the effects of operating parameters such as the pressure, temperature, steam to carbon ratio on the production of hydrogen, as well as the fraction of non-converted methane. It appears from this analysis that the exit temperature Te, the operating pressure as well the steam to carbon ratio has an important effect on the reforming of methane.

Keywords: reforming, methane, performance, hydrogen, parameters

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Authors: Y. S. Lee, F. Malek, E. M. Cheng, W. W. Liu, F. H. Wee, M. N. Iqbal, Z. Liyana, B. S. Yew, F. S. Abdullah

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This paper presents the electromagnetic interference (EMI) shielding effectiveness of rice husk and carbon nanotubes (RHCNTs) composites in the X-band region (8.2-12.4 GHz). The difference weight ratio of carbon nanotubes (CNTs) were mix with the rice husk. The rectangular wave guide technique was used to measure the complex permittivity of the RHCNTs composites materials. The complex permittivity is represented in terms of both the real and imaginary parts of permittivity in X-band frequency. The conductivity of RHCNTs shows increasing when the ratio of CNTs mixture increases. The composites materials were simulated using Computer Simulation Technology (CST) Microwave Studio simulation software. The shielding effectiveness of RHCNTs and pure rice husk was compared. The highest EMI SE of 30 dB is obtained for RHCNTs composites of 10 wt % CNTs with 10 mm thick.

Keywords: EMI shielding effectiveness, carbon nanotube, composite materials wave guide, x-band

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Authors: M. Novak, E. Munoz, A. Jana, M. Nelemans

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Cities and local governments the world over are interested to employ circular strategies as a means to bring about food security, create employment and increase resilience. The selection and implementation of circular strategies is facilitated by modeling the effects of strategies locally and understanding the impacts such strategies have had in other (comparable) cities and how that would translate locally. Urban areas are heterogeneous because of their geographic, economic, social characteristics, governance, and culture. In order to better understand the effect of circular strategies on urban systems, we create a dataset for over 300 cities around the world designed to facilitate circular strategy scenario modeling. This new dataset integrates data from over 20 prominent global national and urban data sources, such as the Global Human Settlements layer and International Labour Organisation, as well as incorporating employment data from over 150 cities collected bottom up from local departments and data providers. The dataset is made to be reproducible. Various clustering techniques are explored in the paper. The result is sets of clusters of cities, which can be used for further research, analysis, and support comparative, regional, and national policy making on circular cities.

Keywords: data integration, urban innovation, cluster analysis, circular economy, city profiles, scenario modelling

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Authors: Pallab Das, Nabam Zomleen

Abstract:

Effective dissipation of lateral loads that are coming due to seismic force determines the strength, durability and safety concern of the structure. Masonry infill has high stiffness and strength capabilities which can be put into an effective utilization for lateral load dissipation by incorporating it into building construction, but masonry behaves in highly nonlinear manner, so it is highly important to find out generalized, yet a rational approach to determine its nonlinear behavior and failure mode and it’s response when it is incorporated into building. But most of the countries do not specify the procedure for design of masonry infill wall. Whereas, there are many analytical modeling method available in literature, e.g. equivalent diagonal strut method, finite element modeling etc. In this paper the masonry infill is modeled and 6-storey bare framed building and building with masonry infill is analyzed using SAP-200014 in order to find out inter-storey drift by time-history analysis and capacity curve by Pushover analysis. The analysis shows that, while, the structure is well within CP performance level for both the case, whereas, there is considerable reduction of inter-storey drift of about 28%, when the building is analyzed with masonry infill wall.

Keywords: capacity curve, masonry infill, nonlinear analysis, time history analysis

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Authors: Derya Karagöz

Abstract:

A Shewhart chart based on normality assumption is not appropriate for skewed distributions since its Type-I error rate is inflated. This study presents X̄ and S control charts for monitoring the process variability for skewed distributions. We propose Weighted Standard Deviation (WSD) X̄ and S control charts. Standard deviation estimator is applied to monitor the process variability for estimating the process standard deviation, in the case of the W SD X̄ and S control charts as this estimator is simple and easy to compute. Unlike the Shewhart control chart, the proposed charts provide asymmetric limits in accordance with the direction and degree of skewness to construct the upper and lower limits. The performances of the proposed charts are compared with other heuristic charts for skewed distributions by using Simulation study. The Simulation studies show that the proposed control charts have good properties for skewed distributions and large sample sizes.

Keywords: weighted standard deviation, MAD, skewed distributions, S control charts

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Authors: Younis Jabarzadeh, Rahim Sarvari, Negar Ahmadi Alghalandis

Abstract:

Entrepreneurship at both individual and organizational level is one of the most driving forces in economic development and leads to growth and competition, job generation and social development. Especially in developing countries, the role of entrepreneurship in economic and social prosperity is more emphasized. But the effect of global economic development on the environment is undeniable, especially in negative ways, and there is a need to rethink current business models and the way entrepreneurs act to introduce new businesses to address and embed environmental issues in order to achieve sustainable development. In this paper, green or sustainable entrepreneurship is addressed in Iran to identify challenges and barriers entrepreneurs in the economic and social sectors face in developing green business solutions. Sustainable or green entrepreneurship has been gaining interest among scholars in recent years and addressing its challenges and barriers need much more attention to fill the gap in the literature and facilitate the way those entrepreneurs are pursuing. This research comprised of two main phases: qualitative and quantitative. At qualitative phase, after a thorough literature review, fuzzy Delphi method is utilized to verify those challenges and barriers by gathering a panel of experts and surveying them. In this phase, several other contextually related factors were added to the list of identified barriers and challenges mentioned in the literature. Then, at the quantitative phase, Interpretive Structural Modeling is applied to construct a network of interactions among those barriers identified at the previous phase. Again, a panel of subject matter experts comprised of academic and industry experts was surveyed. The results of this study can be used by policymakers in both the public and industry sector, to introduce more systematic solutions to eliminate those barriers and help entrepreneurs overcome challenges of sustainable entrepreneurship. It also contributes to the literature as the first research in this type which deals with the barriers of sustainable entrepreneurship and explores their interaction.

Keywords: green entrepreneurship, barriers, fuzzy Delphi method, interpretive structural modeling

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Authors: R. Pilafkan, M. Kaffash Irzarahimi, S. F. Asbaghian Namin

Abstract:

The biaxial buckling behavior of single-layered graphene sheets (SLGSs) is studied in the present work. To consider the size-effects in the analysis, Eringen’s nonlocal elasticity equations are incorporated into classical plate theory (CLPT). A Generalized Differential Quadrature Method (GDQM) approach is utilized and numerical solutions for the critical buckling loads are obtained. Then, molecular dynamics (MD) simulations are performed for a series of zigzag SLGSs with different side-lengths and with various boundary conditions, the results of which are matched with those obtained by the nonlocal plate model to numerical the appropriate values of nonlocal parameter relevant to each type of boundary conditions.

Keywords: biaxial buckling, single-layered graphene sheets, nonlocal elasticity, molecular dynamics simulation, classical plate theory

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Authors: Viriyavudh Sim, Woo Young Jung

Abstract:

The failure of roof cladding mostly occurs due to the failing of the connection between claddings and purlins, which is the pull-out of the screw connecting the two parts when the pull-out load, i.e. typhoon, is higher than the resistance of the connection screw. As typhoon disasters in Korea are constantly on the rise, probability risk assessment (PRA) has become a vital tool to evaluate the performance of civil structures. In this study, we attempted to determine the fragility of roof cladding with the screw connection. Experimental study was performed to evaluate the pull-out resistance of screw joints between honeycomb panels and back frames. Subsequently, by means of Monte Carlo Simulation method, probability of failure for these types of roof cladding was determined. The results that the failure of roof cladding was depends on their location on the roof, for example, the edge most panel has the highest probability of failure.

Keywords: Monte Carlo Simulation, roof cladding, screw pull-out strength, wind fragility

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Authors: Hind Mestouri

Abstract:

The study and simulation of a millimeter wave antenna for 5G mobile communication systems is the topic of this paper. We present at the beginning the general aspects of the 5G technology. We recall the objectives of the 5G standard, its architecture, and the parameters that characterize it. The proposed antenna model is designed using the CST Microwave Studio simulation software. Numerous methods are used at all steps of the design procedures, such as theoretical calculation of parameters, declaration of parameter values, and evaluation of the antenna through the obtained results. Initially, we were interested in the design of an antenna array at the 10 GHz frequency. Afterward, we also simulated and presented an antenna array at 2.5 GHz. For each antenna designed, a parametric study was conducted to understand and highlight the role and effects of the various parameters in order to optimize them and achieve a final efficient structure. The obtained results using CST Microwave Studio showed that the characteristics of the designed antennas (bandwidth, gain, radiation pattern) satisfy the specifications of 5G mobile communications.

Keywords: 5G, antenna array, millimeter wave, 10 GHz, CST Microwave Studio

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Authors: Dong Sik Cho, Yong Kweon Suh

Abstract:

Numerical study has been conducted on the electro-hydrodynamic (EHD) pumping method in terms of a recirculating channel. The method relies on the principle of EHD generated by the electric-field dependent electrical conductivity (Onsager effect). Before considering the full three-dimensional simulation, we solved the two-dimensional problem of EHD flow in a circular channel like a doughnut shape. We observed that when dc voltage was applied a fast and regular flow was produced around electrodes, which is then used as a driving force for the fluid pumping. In this parametric study, the diameters of circular electrodes are varied in the range 0.3mm~3mm and the gap between the electrodes pair is varied in the range 0.3mm~2mm. We found that both the volume flow rate and the pumping efficiency are increased as the distance between the electrodes is decreased. Finally, we also performed the numerical simulation for the three-dimensional channel and found that the averaged flow velocity is in the same order of magnitude as the two-dimensional one.

Keywords: electro-hydrodynamic, electric-field, onsager effect, DC voltage

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