Search results for: maximum entropy modeling

Authors: Reza Ziaie Moayed, Ehsan Azini

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Jet grouting (JG) is one of the methods of improving and increasing the strength and bearing of soil in which the high pressure water or grout is injected through the nozzles into the soil. During this process, a part of the soil and grout particles comes out of the drill borehole, and the other part is mixed up with the grout in place, as a result of this process, a mass of modified soil is created. The purpose of this method is to change the soil into a mixture of soil and cement, commonly known as "soil-cement". In this paper, first, the principles of high pressure injection and then the effective parameters in the JG method are described. Then, the tests on the samples taken from the columns formed from the excavation around the soil-cement columns, as well as the static loading test on the created column, are discussed. In the other part of this paper, the soil behavior models for numerical modeling in PLAXIS software are mentioned. The purpose of this paper is to evaluate the results of numerical modeling based on in-situ static loading tests. The results indicate an acceptable agreement between the results of the tests mentioned and the modeling results. Also, modeling with this software as an appropriate option for technical feasibility can be used to soil improvement using JG.

Keywords: jet grouting column, soil improvement, numerical modeling, in-situ loading test

Procedia PDF Downloads 135

Authors: Yousif Mohamed Y. Abdallah, Eltayeb Wagallah

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Image enhancement allows the observer to see details in images that may not be immediately observable in the original image. Image enhancement is the transformation or mapping of one image to another. The enhancement of certain features in images is accompanied by undesirable effects. To achieve maximum image quality after denoising, a new, low order, local adaptive Gaussian scale mixture model and median filter were presented, which accomplishes nonlinearities from scattering a new nonlinear approach for contrast enhancement of bones in bone scan images using both gamma correction and negative transform methods. The usual assumption of a distribution of gamma and Poisson statistics only lead to overestimation of the noise variance in regions of low intensity but to underestimation in regions of high intensity and therefore to non-optional results. The contrast enhancement results were obtained and evaluated using MatLab program in nuclear medicine images of the bones. The optimal number of bins, in particular the number of gray-levels, is chosen automatically using entropy and average distance between the histogram of the original gray-level distribution and the contrast enhancement function’s curve.

Keywords: bone scan, nuclear medicine, Matlab, image processing technique

Procedia PDF Downloads 499

Authors: Niranjana Devi N.

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Test case selection is to select the subset of only the fit test cases and remove the unfit, ambiguous, redundant, unnecessary test cases which in turn improve the quality and reduce the cost of software testing. Test cases optimization is the problem of finding the best subset of test cases from a pool of the test cases to be audited. It will meet all the objectives of testing concurrently. But most of the research have evaluated the fitness of test cases only on single parameter fault detecting capability and optimize the test cases using a single objective. In the proposed approach, nine parameters are considered for test case selection and the best subset of parameters for test case selection is obtained using Interval Type-2 Fuzzy Rough Set. Test case selection is done in two stages. The first stage is the fuzzy entropy-based filtration technique, used for estimating and reducing the ambiguity in test case fitness evaluation and selection. The second stage is the ant colony optimization-based wrapper technique with a forward search strategy, employed to select test cases from the reduced test suite of the first stage. The results are evaluated using the Coverage parameters, Precision, Recall, F-Measure, APSC, APDC, and SSR. The experimental evaluation demonstrates that by this approach considerable computational effort can be avoided.

Keywords: ant colony optimization, fuzzy entropy, interval type-2 fuzzy rough set, test case selection

Procedia PDF Downloads 659

Authors: Rony Reátegui, Cesar Chácara, Benjamin Castañeda, Rafael Aguilar

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Nowadays, heritage building information modeling (HBIM) is considered an efficient tool to represent and manage information of cultural heritage (CH). The basis of this tool relies on a 3D model generally obtained from a cloud-to-BIM procedure. There are different methods to create an HBIM model that goes from manual modeling based on the point cloud to the automatic detection of shapes and the creation of objects. The selection of these methods depends on the desired level of development (LOD), level of information (LOI), grade of generation (GOG), as well as on the availability of commercial software. This paper presents the 3D modeling of a stone masonry chapel using Recap Pro, Revit, and Dynamo interface following a three-step methodology. The first step consists of the manual modeling of simple structural (e.g., regular walls, columns, floors, wall openings, etc.) and architectural (e.g., cornices, moldings, and other minor details) elements using the point cloud as reference. Then, Dynamo is used for generative modeling of complex structural elements such as vaults, infills, and domes. Finally, semantic information (e.g., materials, typology, state of conservation, etc.) and pathologies are added within the HBIM model as text parameters and generic models families, respectively. The application of this methodology allows the documentation of CH following a relatively simple to apply process that ensures adequate LOD, LOI, and GOG levels. In addition, the easy implementation of the method as well as the fact of using only one BIM software with its respective plugin for the scan-to-BIM modeling process means that this methodology can be adopted by a larger number of users with intermediate knowledge and limited resources since the BIM software used has a free student license.

Keywords: cloud-to-BIM, cultural heritage, generative modeling, HBIM, parametric modeling, Revit

Procedia PDF Downloads 139

Authors: S. A. Gayvoronsky, T. A. Ezangina

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The robust control system objects with interval-undermined parameters is considers in this paper. Initial information about the system is its characteristic polynomial with interval coefficients. On the basis of coefficient estimations of quality indices and criterion of the maximum stability degree, the methods of synthesis of a robust regulator parametric is developed. The example of the robust stabilization system synthesis of the rope tension is given in this article.

Keywords: interval polynomial, controller synthesis, analysis of quality factors, maximum degree of stability, robust degree of stability, robust oscillation, system accuracy

Procedia PDF Downloads 296

Authors: H. Shokouhmand, M. Degheh, B. Sajadi, H. Sobhani

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The induct ultraviolet germicidal irradiation (UVGI) systems are broadly used nowadays and their utilization is widened every day. Even though these systems are not applicable individually, they are very suitable supplements for the traditional filtration systems. The amount of inactivated microorganisms is dependent on the air velocity, lamp power, fluence rate distribution, and also germicidal susceptibility of microorganisms. In this paper, these factors are investigated utilizing an air-microorganism two-phase numerical model. The eulerian-lagrangian method was used to have more detailed information on the history of each particle. The UVGI system was modeled in three steps including: 1) modeling the air flow, 2) modeling the discrete phase of particles, 3) modeling the UV intensity field, and 4) modeling the particle inactivation. The results from modeling different lamp arrangements and powers showed that the system functions better at more homogeneous irradiation distribution. Since increasing the air flow rate of the device results in increasing of particle inactivation rate, the optimal air velocity shall be adjusted in accordance with the microorganism production rate, and the air quality requirement using the curves represented in this paper.

Keywords: CFD, microorganism, two-phase flow, ultraviolet germicidal irradiation

Procedia PDF Downloads 320

Authors: Volkmar Nolting

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Fatigue crack growth prediction has become an important topic in both engineering and non-destructive evaluation. Crack propagation is influenced by the mechanical properties of the material and is conveniently modelled by the Paris-Erdogan equation. The critical crack size and the total number of load cycles are calculated. From a Larson-Miller plot the maximum operational temperature can for a given stress level be determined so that failure does not occur within a given time interval t. The study is used to determine a reasonable inspection cycle and thus enhances operational safety and reduces costs.

Keywords: fracturemechanics, crack growth prediction, lifetime of a component, structural health monitoring

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Authors: Anwar H. Jarndal, Ahmed S. Elwakil

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In this paper, a fraction-order model for pad parasitic effect of GaN HEMT on Si substrate is developed and validated. Open de-embedding structure is used to characterize and de-embed substrate loading parasitic effects. Unbiased device measurements are implemented to extract parasitic inductances and resistances. The model shows very good simulation for S-parameter measurements under different bias conditions. It has been found that this approach can improve the simulation of intrinsic part of the transistor, which is very important for small- and large-signal modeling process.

Keywords: fractional-order modeling, GaNHEMT, si-substrate, open de-embedding structure

Procedia PDF Downloads 350

Authors: Junyou Shi, Weiwei Cui

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Testability modeling is a commonly used method in testability design and analysis of system. A dependency matrix will be obtained from testability modeling, and we will give a quantitative evaluation about fault detection and isolation. Based on the dependency matrix, we can obtain the diagnosis tree. The tree provides the procedures of the fault detection and isolation. But the dependency matrix usually includes built-in test (BIT) and manual test in fact. BIT runs the test automatically and is not limited by the procedures. The method above cannot give a more efficient diagnosis and use the advantages of the BIT. A Comprehensive method of fault detection and isolation is proposed. This method combines the advantages of the BIT and Manual test by splitting the matrix. The result of the case study shows that the method is effective.

Keywords: fault detection, fault isolation, testability modeling, BIT

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Authors: Abdulsamee Halahla, Emad Allout

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The purpose of this research is to study the behavior of exterior beam-column joints (BCJs) strengthened with ultra-high performance concrete (UHPC), in terms of the shear strength and maximum displacement using pushover analysis at the tip of the beam. A finite element (F.E) analysis was performed to study three main parameters – the level of the axial load in the column (N), the beam shear reinforcement (Av/s)B, and the effect of using UHPC. The normal concrete at the studied joint region was replaced by UHPC. The model was verified by using experimental results taken from the literature. The results showed that the UHPC contributed to the transference of the plastic hinge from the joint to the beam-column interface. In addition, the strength of the UHPC-strengthened joints was enhanced dramatically from 8% to 38% for the joints subjected to 12.8MPa and zero axial loads, respectively. Moreover, the UHPC contributed in improving the maximum deflection. This improvement amounted to 1% and 176% for the joints subjected to zero and 12.8MPa axial load, respectively.

Keywords: ultra high performance concrete, ductility, reinforced concrete joints, finite element modeling, nonlinear behavior; pushover analysis

Procedia PDF Downloads 124

Authors: Syed Afrozuddin Ahmed, Junaid Saghir Siddiqi, Sabah Quaiser

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Various studies have reported that global warming causes unstable climate and many serious impact to physical environment and public health. The increasing incidence of dengue incidence is now a priority health issue and become a health burden of Pakistan. In this study it has been investigated that spatial pattern of environment causes the emergence or increasing rate of dengue fever incidence that effects the population and its health. The climatic or environmental structure data and the Dengue Fever (DF) data was processed by coding, editing, tabulating, recoding, restructuring in terms of re-tabulating was carried out, and finally applying different statistical methods, techniques, and procedures for the evaluation. Five climatic variables which we have studied are precipitation (P), Maximum temperature (Mx), Minimum temperature (Mn), Humidity (H) and Wind speed (W) collected from 1980-2012. The dengue cases in Karachi from 2010 to 2012 are reported on weekly basis. Principal component analysis is applied to explore the climatic variables and/or the climatic (structure) which may influence in the increase or decrease in the number of dengue fever cases in Karachi. PC1 for all the period is General atmospheric condition. PC2 for dengue period is contrast between precipitation and wind speed. PC3 is the weighted difference between maximum temperature and wind speed. PC4 for dengue period contrast between maximum and wind speed. Negative binomial and Poisson regression model are used to correlate the dengue fever incidence to climatic variable and principal component score. Relative humidity is estimated to positively influence on the chances of dengue occurrence by 1.71% times. Maximum temperature positively influence on the chances dengue occurrence by 19.48% times. Minimum temperature affects positively on the chances of dengue occurrence by 11.51% times. Wind speed is effecting negatively on the weekly occurrence of dengue fever by 7.41% times.

Keywords: principal component analysis, dengue fever, negative binomial regression model, poisson regression model

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Authors: Yiğit Gürler, Berkay Türkcan İmrağ, Taylan Güçkıran, İbrahim Şimşek, Alper Taşdemirci

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Paper honeycombs, which is a sandwich structure, consists of two liner faces and one paper honeycomb core. These materials are widely used in the packaging industry due to their low cost, low weight, good energy absorption capabilities and easy recycling properties. However, to provide maximum protection to the products in cases such as the drop of the packaged products, the mechanical behavior of these materials should be well known at the packaging design stage. In this study, the necessary input parameters for the modeling study were obtained by performing compression tests in the through-thickness and in-plane directions of paper-based honeycomb sandwich structures. With the obtained parameters, homogeneous and micro-mechanical numerical models were developed in the Ls-Dyna environment. The material card used for the homogeneous model is MAT_MODIFIED_HONEYCOMB, and the material card used for the micromechanical model is MAT_PIECEWISE_LINEAR_PLASTICITY. As a result, the effectiveness of homogeneous and micromechanical modeling approaches for paper-based honeycomb sandwich structure was investigated using force-displacement curves. Densification points and peak points on these curves will be compared.

Keywords: environmental packaging, mechanical characterization, Ls-Dyna, sandwich structure

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Authors: Muhammad Jamil, Ning He, Aqib Mashood Khan, Munish Kumar Gupta

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Ti-6Al-4V has numerous applications in the medical, automobile, and aerospace industries due to corrosion resistivity, structural stability, and chemical inertness to most fluids at room temperature. These peculiar characteristics are beneficial for their application and present formidable challenges during machining. Machining of Ti-6Al-4V produces an elevated cutting temperature above 1000oC at dry conditions. This accelerates tool wear and reduces product quality. Therefore, there is always a need to employ sustainable/effective coolant/lubricant when machining such alloy. In this study, Finite Element Modeling (FEM) and experimental analysis when cutting Ti-6Al-4V under a distinctly developed dry ice mixed hybrid lubri-coolant are presented. This study aims to model the milling process of Ti-6Al-4V under a proposed novel hybrid lubri-coolant using different cutting speeds and feed per tooth DEFORM® software package was used to conduct the FEM and the numerical model was experimentally validated. A comparison of experimental and simulation results showed a maximum error of no more than 6% for all experimental conditions. In a nutshell, it can be said that the proposed model is effective in predicting the machining temperature precisely.

Keywords: friction coefficient, heat transfer, finite element modeling (FEM), milling Ti-6Al-4V

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Authors: Hafez Fouad

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Telemedicine applications have very low voltage which required High Precision Rectifier Design with high Sensitivity to operate at minimum input Voltage. In this work, we targeted 0.2V input voltage using 65 nm CMOS rectifier for Energy Harvesting Telemedicine application. The proposed rectifier which designed at 2.4GHz using two-stage structure found to perform in a better case where minimum operation voltage is lower than previous published paper and the rectifier can work at a wide range of low input voltage amplitude. The Performance Summary of Full-wave fully gate cross-coupled rectifiers (FWFR) CMOS Rectifier at F = 2.4 GHz: The minimum and maximum output voltages generated using an input voltage amplitude of 2 V are 490.9 mV and 1.997 V, maximum VCE = 99.85 % and maximum PCE = 46.86 %. The Performance Summary of Differential drive CMOS rectifier with external bootstrapping circuit rectifier at F = 2.4 GHz: The minimum and maximum output voltages generated using an input voltage amplitude of 2V are 265.5 mV (0.265V) and 1.467 V respectively, maximum VCE = 93.9 % and maximum PCE= 15.8 %.

Keywords: energy harvesting, embedded system, IoT telemedicine system, threshold voltage minimization, differential drive cmos rectifier, full-wave fully gate cross-coupled rectifiers CMOS rectifier

Procedia PDF Downloads 151

Authors: Mohammad Saber Eslamlou, Manouchehr Tabibian, Mahta Mirmoghtadaei

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The history of urban development and the increasing complexities of urban life have long been intertwined with different natural and man-made disasters. Sometimes, these unpleasant events have destroyed the cities forever. The growth of the urban population and the increase of social and economic resources in the cities increased the importance of developing a holistic approach to dealing with unknown urban disasters. As a result, the interest in resilience has increased in most of the scientific fields, and the urban planning literature has been enriched with the studies of the social, economic, infrastructural, and physical abilities of the cities. In this regard, different conceptual frameworks and patterns have been developed focusing on dimensions of resilience and different kinds of disasters. As the most frequent and likely natural disaster in Iran is flooding, the present study aims to develop a cause-effect model of urban resilience against flood in Karaj City. In this theoretical study, desk research and documentary studies were used to find the elements and dimensions of urban resilience. In this regard, 6 dimensions and 32 elements were found for urban resilience and a questionnaire was made by considering the requirements of TOPSIS techniques (pairwise comparison). The sample of the research consisted of 10 participants who were faculty members, academicians, board members of research centers, managers of the Ministry of Road and Urban Development, board members of New Towns Development Company, experts, and practitioners of consulting companies who had scientific and research backgrounds. The gathered data in this survey were analyzed using TOPSIS and Shannon Entropy techniques. The results show that Infrastructure/Physical, Social, Organizational/ Institutional, Structural/Physical, Economic, and Environmental dimensions are the most effective factors in urban resilience against floods in Karaj, respectively. Finally, a comprehensive model and a systematic framework of factors that affect the urban resilience of Karaj against floods was developed. This cause – effect model shows how different factors are related and influence each other, based on their connected structure and preferences.

Keywords: urban resilience, TOPSIS, Shannon entropy, cause-effect model of resilience, flood

Procedia PDF Downloads 51

Authors: S. Shamohammadi, L. Razavi

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This paper based on the principle concepts of SCS-CN model, a new mathematical model for computation of retention potential (S) presented. In the mathematical model, not only precipitation-runoff concepts in SCS-CN model are precisely represented in a mathematical form, but also new concepts, called “maximum retention” and “total retention” is introduced, and concepts of potential retention capacity, maximum retention, and total retention have been separated from each other. In the proposed model, actual retention (F), maximum actual retention (Fmax), total retention (S), maximum retention (Smax), and potential retention (Sp), for the first time clearly defined, so that Sp is not variable, but a function of morphological characteristics of the watershed. Indeed, based on the mathematical relation of the conceptual curve of SCS-CN model, the proposed model provides a new method for the computation of actual retention in watershed and it simply determined runoff based on. In the corresponding relations, in addition to Precipitation (P), Initial retention (Ia), cumulative values of actual retention capacity (F), total retention (S), runoff (Q), antecedent moisture (M), potential retention (Sp), total retention (S), we introduced Fmax and Fmin referring to maximum and minimum actual retention, respectively. As well as, ksh is a coefficient which depends on morphological characteristics of the watershed. Advantages of the modified version versus the original model include a better precision, higher performance, easier calibration and speed computing.

Keywords: model, mathematical, retention, watershed, SCS

Procedia PDF Downloads 449

Authors: Mohanad Alhabo, Li Zhang, Naveed Nawaz

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Small cell deployment in 5G networks is a promising technology to enhance capacity and coverage. However, unplanned deployment may cause high interference levels and high number of unnecessary handovers, which in turn will result in an increase in the signalling overhead. To guarantee service continuity, minimize unnecessary handovers, and reduce signalling overhead in heterogeneous networks, it is essential to properly model the handover decision problem. In this paper, we model the handover decision according to Multiple Attribute Decision Making (MADM) method, specifically Technique for Order Preference by Similarity to an Ideal Solution (TOPSIS). In this paper, we propose a hybrid TOPSIS method to control the handover in heterogeneous network. The proposed method adopts a hybrid weighting, which is a combination of entropy and standard deviation. A hybrid weighting control parameter is introduced to balance the impact of the standard deviation and entropy weighting on the network selection process and the overall performance. Our proposed method shows better performance, in terms of the number of frequent handovers and the mean user throughput, compared to the existing methods.

Keywords: handover, HetNets, interference, MADM, small cells, TOPSIS, weight

Procedia PDF Downloads 141

Authors: Heba Ahmed Nawafleh

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In this study, two commercial resins were evaluated to concentrate uranium from real solutions that were produced from analkaline leaching process of carbonate deposits. The adsorption was examined using a batch process. Different parameters were evaluated, including initial pH, contact time, temperature, adsorbent dose, and finally, uranium initial concentration. Both resins were effective and selective for uranium ions from the tested leaching solution. The adsorption isotherms data were well fitted for both resins using the Langmuir model. Thermodynamic functions (Gibbs free energy change ΔG, enthalpy change ΔH, and entropy change ΔS) were calculated for the adsorption of uranium. The result shows that the adsorption process is endothermic, spontaneous, and chemisorption processes took place for both resins. The kinetic studies showed that the equilibrium time for uranium ions is about two hours, where the maximum uptake levels were achieved. The kinetics studies were carried out for the adsorption of U ions, and the data was found to follow pseudo-second-order kinetics, which indicates that the adsorption of U ions was chemically controlled. In addition, the reusability (adsorption/ desorption) process was tested for both resins for five cycles, these adsorbents maintained removal efficiency close to first cycle efficiency of about 91% and 80%.

Keywords: uranium, adsorption, ion exchange, thermodynamic and kinetic studies

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Authors: Nouacer Imane, Benalia Mokhtar, Djedid Mabrouk

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The adsorption ability of a powdered activated carbons (PAC) derived from Luffa cylindrica investigated in an attempt to produce more economic and effective sorbents for the control of Cu(II) ion from industrial liquid streams. Carbonaceous sorbents derived from local luffa cylindrica, were prepared by chemical activation methods using ZnCl2 as activating reagents. Adsorption of Cu (II) from aqueous solutions was investigated. The effects of pH, initial adsorbent concentration, the effect of particle size, initial metal ion concentration and temperature were studied in batch experiments. The maximum adsorption capacity of copper onto grafted Luffa cylindrica fiber was found to be 14.23 mg/g with best fit for Langmuir adsorption isotherm. The values of thermodynamic parameters such as enthalpy change, ∆H (-0.823 kJ/mol), entropy change, ∆S (-9.35 J/molK) and free energy change, ∆G (−1.56 kJ/mol) were also calculated. Adsorption process was found spontaneous and exothermic in nature. Finally, the luffa cylindrica has been evaluated by FTIR, MO and x-ray diffraction in order to determine if the biosorption process modifies its chemical structure and morphology, respectively. Luffa cylindrica has been proven to be an efficient biomaterial useful for heavy metal separation purposes that is not altered by the process.

Keywords: adsorption, cadmium, isotherms, thermodynamic, luffa sponge

Procedia PDF Downloads 244

Authors: Walid Louhichi, Mouhebeddine Berrima, Narjes Ben Rajed

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Elasticity is the essential property of cloud computing. As the name suggests, it constitutes the ability of a cloud system to adjust resource provisioning in relation to fluctuating workload. There are two types of elasticity operations, vertical and horizontal. In this work, we are interested in horizontal scaling, which is ensured by two mechanisms; scaling in and scaling out. Following the sizing of the system, we can adopt scaling in in the event of over-supply and scaling out in the event of under-supply. In this paper, we propose a formal model, based on colored and temporized Petri nets, for the modeling of the duplication and the removal of a virtual machine from a server. This model is based on formal Petri Nets modeling language. The proposed models are edited, verified, and simulated with two examples implemented in CPNtools, which is a modeling tool for colored and timed Petri nets.

Keywords: cloud computing, elasticity, elasticity controller, petri nets, scaling in, scaling out

Procedia PDF Downloads 146

Authors: Chen Xiong, Tong Xin, Li Hao, Xu Jin-Sheng

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Experiment and simulation researches on the structural integrity of propellant grain in solid rocket motor (SRM) with high volumetric fraction were conducted. First, by using SRM parametric modeling functions with secondary development tool Python of ABAQUS, the three dimensional parameterized modeling programs of star shaped grain, wheel shaped grain and wing cylindrical grain were accomplished. Then, the mechanical properties under different loads for star shaped grain were obtained with the application of automatically established finite element model in ABAQUS. Next, several optimization algorithms are introduced to optimize the star shaped grain, wheel shaped grain and wing cylindrical grain. After meeting the demands of burning surface changes and volumetric fraction, the optimum three dimensional shapes of grain were obtained. Finally, by means of parametric modeling functions, pressure data of SRM’s cold pressurization test was directly applied to simulation of grain in terms of mechanical performance. The results verify the reliability and practical of parameterized modeling program of SRM.

Keywords: cold pressurization test, ğarametric modeling, structural integrity, propellant grain, SRM

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Authors: G. N. Srinivas, K. Raju

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This paper presents Markov processes for determining the reliability indices of distribution system. The continuous Markov modeling is applied to a complex radial distribution system and electrical equivalent circuits are developed for the modeling. In general PSPICE is being used for electrical and electronic circuits and various applications of power system like fault analysis, transient analysis etc. In this paper, the SPICE modeling equivalent circuits which are developed are applied in a novel way to Distribution System reliability analysis. These circuits are simulated using PSPICE software to obtain the state probabilities, the basic and performance indices. Thus the basic indices and the performance indices obtained by this method are compared with those obtained by FMEA technique. The application of the concepts presented in this paper are illustrated and analyzed for IEEE-Roy Billinton Test System (RBTS).

Keywords: distribution system, Markov Model, reliability indices, spice simulation

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Authors: Jannes Quer, Amir Niknejad, Marcus Weber

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Computational Drug Design is often based on Molecular Dynamics simulations of molecular systems. Molecular Dynamics can be used to simulate, e.g., the binding and unbinding event of a small drug-like molecule with regard to the active site of an enzyme or a receptor. However, the time-scale of the overall binding event is many orders of magnitude longer than the time-scale of simulation. Thus, there is a need to speed-up molecular simulations. In order to speed up simulations, the molecular dynamics trajectories have to be ”steared” out of local minimizers of the potential energy surface – the so-called metastabilities – of the molecular system. Increasing the kinetic energy (temperature) is one possibility to accelerate simulated processes. However, with temperature the entropy of the molecular system increases, too. But this kind ”stearing” is not directed enough to stear the molecule out of the minimum toward the saddle point. In this article, we give a new mathematical idea, how a potential energy surface can be changed in such a way, that entropy is kept under control while the trajectories are still steared out of the metastabilities. In order to compute the unsteared transition behaviour based on a steared simulation, we propose to use extrapolation methods. In the end we mathematically show, that our method accelerates the simulations along the direction, in which the curvature of the potential energy surface changes the most, i.e., from local minimizers towards saddle points.

Keywords: extrapolation, Eyring-Kramers, metastability, multilevel sampling

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Authors: Rufus Temidayo Akinnubi, M. O. Adeniyi

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Existing diurnal air temperature models simulate night time air temperature over Nigeria with high biases. An improved parameterization is presented for modeling the diurnal pattern of air temperature (Ta) which is applicable in the calculation of turbulent heat fluxes in Global climate models, based on Nigeria Micrometeorological Experimental site (NIMEX) surface layer observations. Five diurnal Ta models for estimating hourly Ta from daily maximum, daily minimum, and daily mean air temperature were validated using root-mean-square error (RMSE), Mean Error Bias (MBE) and scatter graphs. The original Fourier series model showed better performance for unstable air temperature parameterizations while the stable Ta was strongly overestimated with a large error. The model was improved with the inclusion of the atmospheric cooling rate that accounts for the temperature inversion that occurs during the nocturnal boundary layer condition. The MBE and RMSE estimated by the modified Fourier series model reduced by 4.45 oC and 3.12 oC during the transitional period from dry to wet stable atmospheric conditions. The modified Fourier series model gave good estimation of the diurnal weather patterns of Ta when compared with other existing models for a tropical environment.

Keywords: air temperature, mean bias error, Fourier series analysis, surface energy balance,

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Authors: Seon Soon Choi

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Magnesium alloy has been widely used in structure such as an automobile. It is necessary to consider probabilistic characteristics of a structural material because a fatigue behavior of a structure has a randomness and uncertainty. The purpose of this study is to find the characteristics of the cumulative distribution function (CDF) of the grown crack size at a specified fatigue crack propagation life and to investigate a statistical crack propagation in magnesium alloys. The statistical fatigue data of the grown crack size are obtained through the fatigue crack propagation (FCP) tests under different maximum fatigue load conditions conducted on the replicated specimens of magnesium alloys. The 3-parameter Weibull distribution is used to find the CDF of grown crack size. The CDF of grown crack size in case of larger maximum fatigue load has longer tail in below 10 percent and above 90 percent. The fatigue failure occurs easily as the tail of CDF of grown crack size becomes long. The fatigue behavior under the larger maximum fatigue load condition shows more rapid propagation and failure mode.

Keywords: cumulative distribution function, fatigue crack propagation, grown crack size, magnesium alloys, maximum fatigue load

Procedia PDF Downloads 280

Authors: Supanitayanon Lalita, Dechkunakorn Surachai, Anuwongnukroh Niwat, Srikhirin Toemsak, Roongrujimek Pitchaya, Tua-Ngam Peerapong

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Objective: To compare maximum load, percentage of elongation, physical characteristics of 4 types of dental floss: (1) Thai Silk Floss (silk, waxed), (2) Oral B® Essential Floss (nylon, waxed), (3) Experimental Floss Xu (nylon, unwaxed), (4) Experimental Floss Xw (nylon, waxed). Materials & method: Four types of floss were tested (n=30) with a Universal Testing Machine (Instron®). Each sample (30 cm long, 5 cm segment) was fixed, and pulled apart with load cell of 100 N and a test speed of 100 mm/min. Physical characteristics were investigated by digital microscope under 2.5×10 magnification, and scanning electron microscope under 1×100 and 5×100 magnification. The size of the filaments was measured in micron (μm) and the fineness were measured in Denier. Statistical analysis: For mechanical properties, the maximum load and the percentage of elongation were presented as mean ± SD. The distribution of the data was calculated by the Kolmogorov-Smirnov test. One-way ANOVA and multiple comparison (Tukey HSD) were used to analyze the differences among the groups with the level of a statistical difference at p < 0.05. Results: The maximum load of Floss Xu, Floss Xw, Oral B and Thai Silk were 47.39, 46.46, 25.38, and 23.70 N, respectively. The percentage of elongation of Oral B, Floss Xw, Floss Xu and Thai Silk were 72.43, 44.62, 31.25, and 16.44%, respectively. All 4 types of dental floss showed statistically differences in both the maximum load and percentage of elongation at p < 0.05, except for maximum load between Floss Xw and Floss Xu that showed no statistically significant difference. Physical characteristics of Thai silk revealed the most disintegrated, the smallest, and the least fine filaments. Conclusion: Floss Xu had the highest maximum load. Oral B had the highest percentage of elongation. Wax coating on Floss X increased the elongation but had no significant effect on the maximum load. The physical characteristics of Thai Silk resulted in the lowest mechanical properties values.

Keywords: dental floss, maximum load, mechanical property, percentage of elongation, physical property

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Authors: Samson Mil'shtein, Dhawal Asthana, Benjamin Sullivan

Abstract:

The wide energy gap of GaN is the major parameter justifying the design and fabrication of high-power electronic components made of this material. However, the existence of a piezo-electrics in nature sheet charge at the AlGaN/GaN interface complicates the control of carrier injection into the intrinsic channel of GaN HEMTs (High Electron Mobility Transistors). As a result, most of the transistors created as R&D prototypes and all of the designs used for mass production are D-mode devices which introduce challenges in the design of integrated circuits. This research presents the design and modeling of an E-mode GaN HEMT with a very low turn-on voltage. The proposed device includes two critical elements allowing the transistor to achieve zero conductance across the channel when Vg = 0V. This is accomplished through the inclusion of an extremely thin, 2.5nm intrinsic Ga₀.₇₄Al₀.₂₆N spacer layer. The added spacer layer does not create piezoelectric strain but rather elastically follows the variations of the crystal structure of the adjacent GaN channel. The second important factor is the design of a gate metal with a high work function. The use of a metal gate with a work function (Ni in this research) greater than 5.3eV positioned on top of n-type doped (Nd=10¹⁷cm⁻³) Ga₀.₇₄Al₀.₂₆N creates the necessary built-in potential, which controls the injection of electrons into the intrinsic channel as the gate voltage is increased. The 5µm long transistor with a 0.18µm long gate and a channel width of 30µm operate at Vd=10V. At Vg =1V, the device reaches the maximum drain current of 0.6mA, which indicates a high current density. The presented device is operational at frequencies greater than 10GHz and exhibits a stable transconductance over the full range of operational gate voltages.

Keywords: compound semiconductors, device modeling, enhancement mode HEMT, gallium nitride

Procedia PDF Downloads 256

Authors: Paweł Stączek, Tomasz Plech, Aleksandra Strzelczyk, Katarzyna Dzitko, Monika Wujec, Edyta Kuśmierz, Piotr Paneth, Agata Paneth

Abstract:

In this contribution, we will describe the inhibitory potency of nine thiosemicarbazide derivatives against bacterial type IIA topoisomerases, their antibacterial profile, and molecular modeling evaluation. We have found that one of the tested compounds, 4-benzoyl-1-(2-methyl-furan-3-ylcarbonyl) thiosemicarbazide, remarkably inhibits the activity of S. aureus DNA gyrase with the IC50 below 5 μM. Besides, this compound displays antibacterial activity on Staphylococcus spp. and E. faecalis at non-cytotoxic concentrations in mammalian cells, with minimal inhibitory concentrations (MICs) values at 25 μg/mL. Based on the enzymatic and molecular modeling studies we propose two factors, i.e. geometry of molecule and hydrophobic/hydrophilic balance as important molecular properties for developing thiosemicarbazide derivatives as potent Staphylococcus aureus DNA gyrase inhibitors.

Keywords: bioactivity, drug design, topoisomerase, molecular modeling

Procedia PDF Downloads 556

Authors: R. Ranjith Kumar

Abstract:

Computer modeling and simulation of human movement is playing an important role in sports and rehabilitation. Accurate modeling and analysis of human knee join is more complex because of complicated structure whose geometry is not easily to represent by a solid model. As part of this project, from the number of CT scan images of human knee join surface reconstruction is carried out using 3D slicer software, an open source software. From this surface reconstruction model, using mesh lab (another open source software) triangular meshes are created on reconstructed surface. This final triangular mesh model is imported to Solid Works, 3D mechanical CAD modeling software. Finally this CAD model is imported to ABAQUS, finite element analysis software for analyzing the knee joints. The results obtained are encouraging and provides an accurate way of modeling and analysis of biological parts without human intervention.

Keywords: solid works, CATIA, Pro-e, CAD

Procedia PDF Downloads 121

Authors: Sherif A. Abu El-Magd, Ahmed M. Sefelnasr, Ahmed M. Masoud

Abstract:

Groundwater modeling is the way and tool for assessing and managing groundwater resources efficiently. The present work was carried out in the ancient Egyptian archeological site (Abydos) fromDynastyIandII.Theareaislocated about 13km west of the River Nilecourse, Upper Egypt. The main problem in this context is that the ground water level rise threatens and damages fragile carvings and paintings of the ancient buildings. The main objective of the present work is to identify the sources of the groundwater recharge in the site, further more, equally important there is to control the ground water level rise. Numerical modeling combined with field water level measurements was implemented to understand the ground water recharge sources. However, building a conceptual model was an important step in the groundwater modeling to phase to satisfy the modeling objectives. Therefore, boreholes, crosssections, and a high-resolution digital elevation model were used to construct the conceptual model. To understand the hydrological system in the site, the model was run under both steady state and transient conditions. Then, the model was calibrated agains the observation of the water level measurements. Finally, the results based on the modeling indicated that the groundwater recharge is originating from an indirect flow path mainly from the southeast. Besides, there is a hydraulic connection between the surface water and groundwater in the study site. The decision-makers and archeologyists could consider the present work to understand the behavior of groundwater recharge and water table level rise.

Keywords: numerical modeling, archeological site, groundwater recharge, egypt

Procedia PDF Downloads 117