Search results for: slope calculation
1165 An Effective Modification to Multiscale Elastic Network Model and Its Evaluation Based on Analyses of Protein Dynamics
Authors: Weikang Gong, Chunhua Li
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Dynamics plays an essential role in function exertion of proteins. Elastic network model (ENM), a harmonic potential-based and cost-effective computational method, is a valuable and efficient tool for characterizing the intrinsic dynamical properties encoded in biomacromolecule structures and has been widely used to detect the large-amplitude collective motions of proteins. Gaussian network model (GNM) and anisotropic network model (ANM) are the two often-used ENM models. In recent years, many ENM variants have been proposed. Here, we propose a small but effective modification (denoted as modified mENM) to the multiscale ENM (mENM) where fitting weights of Kirchhoff/Hessian matrixes with the least square method (LSM) is modified since it neglects the details of pairwise interactions. Then we perform its comparisons with the original mENM, traditional ENM, and parameter-free ENM (pfENM) on reproducing dynamical properties for the six representative proteins whose molecular dynamics (MD) trajectories are available in http://mmb.pcb.ub.es/MoDEL/. In the results, for B-factor prediction, mENM achieves the best performance among the four ENM models. Additionally, it is noted that with the weights of the multiscale Kirchhoff/Hessian matrixes modified, interestingly, the modified mGNM/mANM still has a much better performance than the corresponding traditional ENM and pfENM models. As to dynamical cross-correlation map (DCCM) calculation, taking the data obtained from MD trajectories as the standard, mENM performs the worst while the results produced by the modified mENM and pfENM models are close to those from MD trajectories with the latter a little better than the former. Generally, ANMs perform better than the corresponding GNMs except for the mENM. Thus, pfANM and the modified mANM, especially the former, have an excellent performance in dynamical cross-correlation calculation. Compared with GNMs (except for mGNM), the corresponding ANMs can capture quite a number of positive correlations for the residue pairs nearly largest distances apart, which is maybe due to the anisotropy consideration in ANMs. Furtherly, encouragingly the modified mANM displays the best performance in capturing the functional motional modes, followed by pfANM and traditional ANM models, while mANM fails in all the cases. This suggests that the consideration of long-range interactions is critical for ANM models to produce protein functional motions. Based on the analyses, the modified mENM is a promising method in capturing multiple dynamical characteristics encoded in protein structures. This work is helpful for strengthening the understanding of the elastic network model and provides a valuable guide for researchers to utilize the model to explore protein dynamics.Keywords: elastic network model, ENM, multiscale ENM, molecular dynamics, parameter-free ENM, protein structure
Procedia PDF Downloads 1211164 A GIS Based Approach in District Peshawar, Pakistan for Groundwater Vulnerability Assessment Using DRASTIC Model
Authors: Syed Adnan, Javed Iqbal
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In urban and rural areas groundwater is the most economic natural source of drinking. Groundwater resources of Pakistan are degraded due to high population growth and increased industrial development. A study was conducted in district Peshawar to assess groundwater vulnerable zones using GIS based DRASTIC model. Six input parameters (groundwater depth, groundwater recharge, aquifer material, soil type, slope and hydraulic conductivity) were used in the DRASTIC model to generate the groundwater vulnerable zones. Each parameter was divided into different ranges or media types and a subjective rating from 1-10 was assigned to each factor where 1 represented very low impact on pollution potential and 10 represented very high impact. Weight multiplier from 1-5 was used to balance and enhance the importance of each factor. The DRASTIC model scores obtained varied from 47 to 147. Using quantile classification scheme these values were reclassified into three zones i.e. low, moderate and high vulnerable zones. The areas of these zones were calculated. The final result indicated that about 400 km2, 506 km2, and 375 km2 were classified as low, moderate, and high vulnerable areas, respectively. It is recommended that the most vulnerable zones should be treated on first priority to facilitate the inhabitants for drinking purposes.Keywords: DRASTIC model, groundwater vulnerability, GIS in groundwater, drinking sources
Procedia PDF Downloads 4511163 Prediction of Pile-Raft Responses Induced by Adjacent Braced Excavation in Layered Soil
Authors: Linlong Mu, Maosong Huang
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Considering excavations in urban areas, the soil deformation induced by the excavations usually causes damage to the surrounding structures. Displacement control becomes a critical indicator of foundation design in order to protect the surrounding structures. Evaluation, the damage potential of the surrounding structures induced by the excavations, usually depends on the finite element method (FEM) because of the complexity of the excavation and the variety of the surrounding structures. Besides, evaluation the influence of the excavation on surrounding structures is a three-dimensional problem. And it is now well recognized that small strain behaviour of the soil influences the responses of the excavation significantly. Three-dimensional FEM considering small strain behaviour of the soil is a very complex method, which is hard for engineers to use. Thus, it is important to obtain a simplified method for engineers to predict the influence of the excavations on the surrounding structures. Based on large-scale finite element calculation with small-strain based soil model coupling with inverse analysis, an empirical method is proposed to calculate the three-dimensional soil movement induced by braced excavation. The empirical method is able to capture the small-strain behaviour of the soil. And it is suitable to be used in layered soil. Then the free-field soil movement is applied to the pile to calculate the responses of the pile in both vertical and horizontal directions. The asymmetric solutions for problems in layered elastic half-space are employed to solve the interactions between soil points. Both vertical and horizontal pile responses are solved through finite difference method based on elastic theory. Interactions among the nodes along a single pile, pile-pile interactions, pile-soil-pile interaction action and soil-soil interactions are counted to improve the calculation accuracy of the method. For passive piles, the shadow effects are also calculated in the method. Finally, the restrictions of the raft on the piles and the soils are summarized as: (1) the summations of the internal forces between the elements of the raft and the elements of the foundation, including piles and soil surface elements, is equal to 0; (2) the deformations of pile heads or of the soil surface elements are the same as the deformations of the corresponding elements of the raft. Validations are carried out by comparing the results from the proposed method with the results from the model tests, FEM and other existing literatures. From the comparisons, it can be seen that the results from the proposed method fit with the results from other methods very well. The method proposed herein is suitable to predict the responses of the pile-raft foundation induced by braced excavation in layered soil in both vertical and horizontal directions when the deformation is small. However, more data is needed to verify the method before it can be used in practice.Keywords: excavation, pile-raft foundation, passive piles, deformation control, soil movement
Procedia PDF Downloads 2311162 A Model for Analyzing the Startup Dynamics of a Belt Transmission Driven by a DC Motor
Authors: Giovanni Incerti
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In this paper the dynamic behavior of a synchronous belt drive during start-up is analyzed and discussed. Besides considering the belt elasticity, the mathematical model here proposed also takes into consideration the electrical behaviour of the DC motor. The solution of the motion equations is obtained by means of the modal analysis in state space, which allows to obtain the decoupling of all equations of the mathematical model without introducing the hypothesis of proportional damping. The mathematical model of the transmission and the solution algorithms have been implemented within a computing software that allows the user to simulate the dynamics of the system and to evaluate the effects due to the elasticity of the belt branches and to the electromagnetic behavior of the DC motor. In order to show the details of the calculation procedure, the paper presents a case study developed with the aid of the abovementioned software.Keywords: belt drive, vibrations, startup, DC motor
Procedia PDF Downloads 5781161 Effect of Silt Presence on Shear Strength Parameters of Unsaturated Sandy Soils
Authors: R. Ziaie Moayed, E. Khavaninzadeh, M. Ghorbani Tochaee
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Direct shear test is widely used in soil mechanics experiment to determine the shear strength parameters of granular soils. For analysis of soil stability problems such as bearing capacity, slope stability and lateral pressure on soil retaining structures, the shear strength parameters must be known well. In the present study, shear strength parameters are determined in silty-sand mixtures. Direct shear tests are performed on 161 Firoozkooh sand with different silt content at a relative density of 70% in three vertical stress of 100, 150, and 200 kPa. Wet tamping method is used for soil sample preparation, and the results include diagrams of shear stress versus shear deformation and sample height changes against shear deformation. Accordingly, in different silt percent, the shear strength parameters of the soil such as internal friction angle and dilation angle are calculated and compared. According to the results, when the sample contains up to 10% silt, peak shear strength and internal friction angle have an upward trend. However, if the sample contains 10% to 50% of silt a downward trend is seen in peak shear strength and internal friction angle.Keywords: shear strength parameters, direct shear test, silty sand, shear stress, shear deformation
Procedia PDF Downloads 1631160 Effect of the Levitation Screen Sizes on Magnetic Parameters of Tracking System
Authors: Y. R. Adullayev, О. О. Karimzada
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Analytical expressions for inductances, current, ampere-turns, excitation winding, maximum width, coordinates of the levitation screen (LS) are derived for the calculation of electromagnetic devices based on tracking systems with levitation elements (TS with LS). Taking into account the expression of the complex magnetic resistance of the screen, the dependence of the screen width on the heating temperature of the physical and technical characteristics of the screen material and the relationship of the geometric dimensions of the magnetic circuit is established. Analytic expressions for a number of functional dependencies characterizing complex parameter relationships in explicit form are obtained and analyzed.Keywords: tracking systems, levitation screens, electromagnetic levitation, excitation windings, magnetic cores, defining converter, receiving converter, electromagnetic force, electrical and magnetic resistance
Procedia PDF Downloads 2311159 Investigating the Multipurpose, Usage, and Application of Bamboo in Abuja, Nigeria’s Federal Capital Territory
Authors: Michael Adedotun Oke
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In Nigeria, Bamboo is one of the most socioeconomically beneficial farming crops, with yearly investment returns of up to N1.6 million. Growing bamboo is a fantastic long-term investment. It may self-renew for up to 70 years and is durable, long-lasting, and environmentally friendly; through an oral interview with the sellers, usage examples, and visual depiction to support those examples, The paper was able to discuss the different uses for bamboo. The various field observations in Federal Capital Territory, including the electric poles, buildings, paper production, and decoration, from picture frames to room dividing screens, bamboo can make some elegant and exotic decorations for the home, building, furniture, cooking, agriculture, instrument, in construction for flooring, roofing designing, scaffolding, garden planting, even to control erosion and slope stabilization in erosion are observed. The use of it is multiplexed with straightforward man-made technology, in contrast. 'This study wants more innovative practices that will be able to make it lucrative for business purposes and sustainability of the process. Although there are various uses and requirements for growing bamboo successfully, it is advised to receive the proper training and in-depth understanding of the growth and management procedures. Consult an experienced bamboo farmer for help.Keywords: bamboo, use, Nigeria, socioeconomically
Procedia PDF Downloads 671158 A Model of Preventing Global Financial Crisis: Gauss Law Model Proposal Used in Electrical Field Calculations
Authors: Arzu K. Kamberli
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This article examines the relationship between economics and physics, starting with Adam Smith, with a new econophysics approach in Economics-Physics with the Gauss Law model proposal using for the Electric Field calculation, which will allow us to anticipate the Global Financial Crisis. For this purpose, the similarities between the Gauss Law using the electric field calculations and the global financial crisis have been explained on the formula, and a model has been suggested to predict the risks of the financial systems from the electricity field calculations. Thus, this study is expected to help for preventing the Global Financial Crisis with the contribution of the science of economics and physics from the aspect of econophysics.Keywords: econophysics, electric field, financial system, Gauss law, global financial crisis
Procedia PDF Downloads 2841157 Mapping of Arenga Pinnata Tree Using Remote Sensing
Authors: Zulkiflee Abd Latif, Sitinor Atikah Nordin, Alawi Sulaiman
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Different tree species possess different and various benefits. Arenga Pinnata tree species own several potential uses that is valuable for the economy and the country. Mapping vegetation using remote sensing technique involves various process, techniques and consideration. Using satellite imagery, this method enables the access of inaccessible area and with the availability of near infra-red band; it is useful in vegetation analysis, especially in identifying tree species. Pixel-based and object-based classification technique is used as a method in this study. Pixel-based classification technique used in this study divided into unsupervised and supervised classification. Object based classification technique becomes more popular another alternative method in classification process. Using spectral, texture, color and other information, to classify the target make object-based classification is a promising technique for classification. Classification of Arenga Pinnata trees is overlaid with elevation, slope and aspect, soil and river data and several other data to give information regarding the tree character and living environment. This paper will present the utilization of remote sensing technique in order to map Arenga Pinnata tree speciesKeywords: Arenga Pinnata, pixel-based classification, object-based classification, remote sensing
Procedia PDF Downloads 3801156 Speech Perception by Video Hosting Services Actors: Urban Planning Conflicts
Authors: M. Pilgun
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The report presents the results of a study of the specifics of speech perception by actors of video hosting services on the material of urban planning conflicts. To analyze the content, the multimodal approach using neural network technologies is employed. Analysis of word associations and associative networks of relevant stimulus revealed the evaluative reactions of the actors. Analysis of the data identified key topics that generated negative and positive perceptions from the participants. The calculation of social stress and social well-being indices based on user-generated content made it possible to build a rating of road transport construction objects according to the degree of negative and positive perception by actors.Keywords: social media, speech perception, video hosting, networks
Procedia PDF Downloads 1471155 Development of an Information System Based Airport Evaluation Method
Authors: Eniko Nagy, Csaba Csiszar
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Satisfaction of air transportation passengers is significantly affected by the perceived quality of airport information services. The development potential of ICT is considerable. The traditional and new functions of ‘smart’ airports are realized by complex services aiding seamless, comfortable and less time-consuming travel. Based on the elements of the transportation chain the information management functions, their relationships and the technical solutions have been identified. The functions have been categorized by their development level and evaluation scores have been assigned to each category. Correction factors influencing the usefulness of the technology or the service have been introduced. A method for the calculation of ‘smart’ index in order to compare the airports in objective way has been developed; thus facilitating further developments. The method has been applied for the case study of Budapest.Keywords: air transportation informatics, evaluation, information service, smart airport
Procedia PDF Downloads 2131154 Integrated Power Saving for Multiple Relays and UEs in LTE-TDD
Authors: Chun-Chuan Yang, Jeng-Yueng Chen, Yi-Ting Mai, Chen-Ming Yang
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In this paper, the design of integrated sleep scheduling for relay nodes and user equipments under a Donor eNB (DeNB) in the mode of Time Division Duplex (TDD) in LTE-A is presented. The idea of virtual time is proposed to deal with the discontinuous pattern of the available radio resource in TDD, and based on the estimation of the traffic load, three power saving schemes in the top-down strategy are presented. Associated mechanisms in each scheme including calculation of the virtual subframe capacity, the algorithm of integrated sleep scheduling, and the mapping mechanisms for the backhaul link and the access link are presented in the paper. Simulation study shows the advantage of the proposed schemes in energy saving over the standard DRX scheme.Keywords: LTE-A, relay, TDD, power saving
Procedia PDF Downloads 5161153 Contribution to the Evaluation of Uncertainties of Measurement to the Data Processing Sequences of a Cmm
Authors: Hassina Gheribi, Salim Boukebbab
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The measurement of the parts manufactured on CMM (coordinate measuring machine) is based on the association of a surface of perfect geometry to the group of dots palpated via a mathematical calculation of the distances between the palpated points and itself surfaces. Surfaces not being never perfect, they are measured by a number of points higher than the minimal number necessary to define them mathematically. However, the central problems of three-dimensional metrology are the estimate of, the orientation parameters, location and intrinsic of this surface. Including the numerical uncertainties attached to these parameters help the metrologist to make decisions to be able to declare the conformity of the part to specifications fixed on the design drawing. During this paper, we will present a data-processing model in Visual Basic-6 which makes it possible automatically to determine the whole of these parameters, and their uncertainties.Keywords: coordinate measuring machines (CMM), associated surface, uncertainties of measurement, acquisition and modeling
Procedia PDF Downloads 3271152 Drivers of Land Degradation in Trays Ecosystem as Modulated under a Changing Climate: Case Study of Côte d'Ivoire
Authors: Kadio Valere R. Angaman, Birahim Bouna Niang
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Land degradation is a serious problem in developing countries, including Cote d’Ivoire, which has its economy focused on agriculture. It occurs in all kinds of ecosystems over the world. However, the drivers of land degradation vary from one region to another and from one ecosystem to another. Thus, identifying these drivers is an essential prerequisite to developing and implementing appropriate policies to reverse the trend of land degradation in the country, especially in the trays ecosystem. Using the binary logistic model with primary data obtained through 780 farmers surveyed, we analyze and identify the drivers of land degradation in the trays ecosystem. The descriptive statistics show that 52% of farmers interviewed have stated facing land degradation in their farmland. This high rate shows the extent of land degradation in this ecosystem. Also, the results obtained from the binary logit regression reveal that land degradation is significantly influenced by a set of variables such as sex, education, slope, erosion, pesticide, agricultural activity, deforestation, and temperature. The drivers identified are mostly local; as a result, the government must implement some policies and strategies that facilitate and incentive the adoption of sustainable land management practices by farmers to reverse the negative trend of land degradation.Keywords: drivers, land degradation, trays ecosystem, sustainable land management
Procedia PDF Downloads 1441151 Measuring Oxygen Transfer Coefficients in Multiphase Bioprocesses: The Challenges and the Solution
Authors: Peter G. Hollis, Kim G. Clarke
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Accurate quantification of the overall volumetric oxygen transfer coefficient (KLa) is ubiquitously measured in bioprocesses by analysing the response of dissolved oxygen (DO) to a step change in the oxygen partial pressure in the sparge gas using a DO probe. Typically, the response lag (τ) of the probe has been ignored in the calculation of KLa when τ is less than the reciprocal KLa, failing which a constant τ has invariably been assumed. These conventions have now been reassessed in the context of multiphase bioprocesses, such as a hydrocarbon-based system. Here, significant variation of τ in response to changes in process conditions has been documented. Experiments were conducted in a 5 L baffled stirred tank bioreactor (New Brunswick) in a simulated hydrocarbon-based bioprocess comprising a C14-20 alkane-aqueous dispersion with suspended non-viable Saccharomyces cerevisiae solids. DO was measured with a polarographic DO probe fitted with a Teflon membrane (Mettler Toledo). The DO concentration response to a step change in the sparge gas oxygen partial pressure was recorded, from which KLa was calculated using a first order model (without incorporation of τ) and a second order model (incorporating τ). τ was determined as the time taken to reach 63.2% of the saturation DO after the probe was transferred from a nitrogen saturated vessel to an oxygen saturated bioreactor and is represented as the inverse of the probe constant (KP). The relative effects of the process parameters on KP were quantified using a central composite design with factor levels typical of hydrocarbon bioprocesses, namely 1-10 g/L yeast, 2-20 vol% alkane and 450-1000 rpm. A response surface was fitted to the empirical data, while ANOVA was used to determine the significance of the effects with a 95% confidence interval. KP varied with changes in the system parameters with the impact of solid loading statistically significant at the 95% confidence level. Increased solid loading reduced KP consistently, an effect which was magnified at high alkane concentrations, with a minimum KP of 0.024 s-1 observed at the highest solids loading of 10 g/L. This KP was 2.8 fold lower that the maximum of 0.0661 s-1 recorded at 1 g/L solids, demonstrating a substantial increase in τ from 15.1 s to 41.6 s as a result of differing process conditions. Importantly, exclusion of KP in the calculation of KLa was shown to under-predict KLa for all process conditions, with an error up to 50% at the highest KLa values. Accurate quantification of KLa, and therefore KP, has far-reaching impact on industrial bioprocesses to ensure these systems are not transport limited during scale-up and operation. This study has shown the incorporation of τ to be essential to ensure KLa measurement accuracy in multiphase bioprocesses. Moreover, since τ has been conclusively shown to vary significantly with process conditions, it has also been shown that it is essential for τ to be determined individually for each set of process conditions.Keywords: effect of process conditions, measuring oxygen transfer coefficients, multiphase bioprocesses, oxygen probe response lag
Procedia PDF Downloads 2661150 Study on Metabolic and Mineral Balance, Oxidative Stress and Cardiovascular Risk Factors in Type 2 Diabetic Patients on Different Therapy
Authors: E. Nemes-Nagy, E. Fogarasi, M. Croitoru, A. Nyárádi, K. Komlódi, S. Pál, A. Kovács, O. Kopácsy, R. Tripon, Z. Fazakas, C. Uzun, Z. Simon-Szabó, V. Balogh-Sămărghițan, E. Ernő Nagy, M. Szabó, M. Tilinca
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Intense oxidative stress, increased glycated hemoglobin and mineral imbalance represent risk factors for complications in diabetic patients. Cardiovascular complications are most common in these patients, including nephropathy. This study was conducted in 2015 at the Procardia Laboratory in Tîrgu Mureș, Romania on 40 type 2 diabetic adults. Routine biochemical tests were performed on the Konleab 20XTi analyzer (serum glucose, total cholesterol, LDL and HDL cholesterol, triglyceride, creatinine, urea). We also measured serum uric acid, magnesium and calcium concentration by photometric procedures, potassium, sodium and chloride by ion selective electrode, and chromium by atomic absorption spectrometry in a group of patients. Glycated hemoglobin (HbA1c) dosage was made by reflectometry. Urine analysis was performed using the HandUReader equipment. The level of oxidative stress was measured by serum malondialdehyde dosage using the thiobarbituric acid reactive substances method. MDRD (Modification of Diet in Renal Disease) formula was applied for calculation of creatinine-derived glomerular filtration rate. GraphPad InStat software was used for statistical analysis of the data. The diabetic subject included in the study presented high MDA concentrations, showing intense oxidative stress. Calcium was deficient in 5% of the patients, chromium deficiency was present in 28%. The atherogenic cholesterol fraction was elevated in 13% of the patients. Positive correlation was found between creatinine and MDRD-creatinine values (p<0.0001), 68% of the patients presented increased creatinine values. The majority of the diabetic patients had good control of their diabetes, having optimal HbA1c values, 35% of them presented fasting serum glucose over 120 mg/dl and 18% had glucosuria. Intense oxidative stress and mineral deficiencies can increase the risk of cardiovascular complications in diabetic patients in spite of their good metabolic balance. More than two third of the patients present biochemical signs of nephropathy, cystatin C dosage and microalbuminuria could reveal better the kidney disorder, but glomerular filtration rate calculation formulas are also useful for evaluation of renal function.Keywords: cardiovascular risk, homocysteine, malondialdehyde, metformin, minerals, type 2 diabetes, vitamin B12
Procedia PDF Downloads 3191149 Study of the Mega–Landslide at the Community of Ropoto, Central Greece, and of the Design of Mitigation and Early Warning System Using the Fiber Bragg Grating Technology
Authors: Michael Bellas, George Voulgaridis
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This paper refers to the world known mega - landslide induced at the community of Ropoto, belonging to the Municipality of Trikala, in the Central part of Greece. The landslide affected the debris as well as the colluvium mantle of the flysch, and makes up a special case of study in engineering geology and geotechnical engineering not only because of the size of the domain affected by the landslide (approximately 750m long), but also because of the geostructure’s global behavior. Due to the landslide, the whole community’s infrastructure massively collapsed and human lives were put in danger. After the complete simulation of the coupled Seepage - Deformation phenomenon due to the extreme rainfall, and by closely examining the slope’s global behavior, both the mitigation of the landslide, as well as, an advanced surveillance method (Fiber Bragg Grating) using fiber optics were further studied, in order both to retain the geostructure and to monitor its health by creating an early warning system, which would serve as a complete safety net for saving both the community’s infrastructure as well as the lives of its habitats.Keywords: landslide, remediation measures, the finite element method (FEM), Fiber Bragg Grating (FBG) sensing method
Procedia PDF Downloads 3291148 Formation of the Water Assisted Supramolecular Assembly in the Transition Structure of Organocatalytic Asymmetric Aldol Reaction: A DFT Study
Authors: Kuheli Chakrabarty, Animesh Ghosh, Atanu Roy, Gourab Kanti Das
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Aldol reaction is an important class of carbon-carbon bond forming reactions. One of the popular ways to impose asymmetry in aldol reaction is the introduction of chiral auxiliary that binds the approaching reactants and create dissymmetry in the reaction environment, which finally evolves to enantiomeric excess in the aldol products. The last decade witnesses the usage of natural amino acids as chiral auxiliary to control the stereoselectivity in various carbon-carbon bond forming processes. In this context, L-proline was found to be an effective organocatalyst in asymmetric aldol additions. In last few decades the use of water as solvent or co-solvent in asymmetric organocatalytic reaction is increased sharply. Simple amino acids like L-proline does not catalyze asymmetric aldol reaction in aqueous medium not only that, In organic solvent medium high catalytic loading (~30 mol%) is required to achieve moderate to high asymmetric induction. In this context, huge efforts have been made to modify L-proline and 4-hydroxy-L-proline to prepare organocatalyst for aqueous medium asymmetric aldol reaction. Here, we report the result of our DFT calculations on asymmetric aldol reaction of benzaldehyde, p-NO2 benzaldehyde and t-butyraldehyde with a number of ketones using L-proline hydrazide as organocatalyst in wet solvent free condition. Gaussian 09 program package and Gauss View program were used for the present work. Geometry optimizations were performed using B3LYP hybrid functional and 6-31G(d,p) basis set. Transition structures were confirmed by hessian calculation and IRC calculation. As the reactions were carried out in solvent free condition, No solvent effect were studied theoretically. Present study has revealed for the first time, the direct involvement of two water molecules in the aldol transition structures. In the TS, the enamine and the aldehyde is connected through hydrogen bonding by the assistance of two intervening water molecules forming a supramolecular network. Formation of this type of supramolecular assembly is possible due to the presence of protonated -NH2 group in the L-proline hydrazide moiety, which is responsible for the favorable entropy contribution to the aldol reaction. It is also revealed from the present study that, water assisted TS is energetically more favorable than the TS without involving any water molecule. It can be concluded from this study that, insertion of polar group capable of hydrogen bond formation in the L-proline skeleton can lead to a favorable aldol reaction with significantly high enantiomeric excess in wet solvent free condition by reducing the activation barrier of this reaction.Keywords: aldol reaction, DFT, organocatalysis, transition structure
Procedia PDF Downloads 4331147 Research on Sensitivity of Geological Disasters in Road Area Based on Analytic Hierarchy Process
Authors: Li Yongyi
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In order to explore the distribution of geological disasters within the expressway area of Shaanxi Province, the Analytic Hierarchy Process theory is applied based on the geographic information system technology platform, and the ground elevation, rainfall, vegetation coverage and other indicators are selected for analysis, and the expressway area is sensitive Sexual evaluation. The results show that the highway area disasters in Shaanxi Province are mainly distributed in the southern mountainous areas and are dominated by landslides; the disaster area ratio basically increases with the increase in ground elevation, surface slope, surface undulation, rainfall, and vegetation coverage. The increase in the distance from the river shows a decreasing trend; after grading the disaster sensitivity within 5km of the expressway, the extremely sensitive area, the highly sensitive area, the medium sensitive area, the low sensitive area, and the extremely low sensitive area respectively account for 8.17%、15.80%、22.99%、26.22%、26.82%. Highly sensitive road areas are mainly distributed in southern Shaanxi.Keywords: highway engineering, sensitivity, analytic hierarchy process, geological hazard, road area
Procedia PDF Downloads 1011146 First Principle Calculation of The Magnetic Properties of Mn-doped 6H-SiC
Authors: M. Al Azri, M. Elzain, K. Bouziane, S. M. Chérif
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The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using ab-initio calculations. Various configurations of Mn sites and Si and C vacancies were considered. The magnetic coupling between the two Mn atoms at substitutional and interstitials sites with and without vacancies is studied as a function of Mn atoms interatomic distance. It was found that the magnetic interaction energy decreases with increasing distance between the magnetic atoms. The energy levels appearing in the band gap due to vacancies and due to Mn impurities are determined. The calculated DOS’s are used to analyze the nature of the exchange interaction between the impurities. The band coupling model based on the p-d and d-d level repulsions between Mn and SiC has been used to describe the magnetism observed in each configuration. Furthermore, the impacts of applying U to Mn-d orbital on the magnetic moment have also been investigated. The results are used to understand the experimental data obtained on Mn- 6H-SiC (as-implanted and as –annealed) for various Mn concentration (CMn = 0.7%, 1.6%, 7%).Keywords: ab-initio calculations, diluted magnetic semiconductors, magnetic properties, silicon carbide
Procedia PDF Downloads 2911145 Microcrystalline Cellulose (MCC) from Oil Palm Empty Fruit Bunch (EFB) Fiber via Simultaneous Ultrasonic and Alkali Treatment
Authors: Ridzuan Ramli, Norhafzan Junadi, Mohammad D.H. Beg, Rosli M. Yunus
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In this study, microcrystalline cellulose (MCC) was extracted from oil palm empty fruit bunch (EFB) cellulose which was earlier isolated from oil palm EFB fibre. In order to isolate the cellulose, the chlorination method was carried out. Then, the MCC was prepared by simultaneous ultrasonic and alkali treatment from the isolated α-cellulose. Based on mass balance calculation, the yields for MCC obtained from EFB was 44%. For fiber characterization, it is observed that the chemical composition of the hemicellulose and lignin for all samples decreased while composition for cellulose increased. The structural property of the MCC was studied by X-ray diffraction (XRD) method and the result shows that the MCC produced is a cellulose-I polymorph, with 73% crystallinity.Keywords: oil palm empty fruit bunch, microcrystalline cellulose, ultrasonic, alkali treatment, x-ray diffraction
Procedia PDF Downloads 4141144 Modeling and Controlling Nonlinear Dynamical Effects in Non-Contact Superconducting and Diamagnetic Suspensions
Authors: Sergey Kuznetsov, Yuri Urman
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We present an approach to investigate non-linear dynamical effects occurring in the noncontact superconducting and diamagnetic suspensions, when levitated body has finite size. This approach is based on the calculation of interaction energy between spherical finite size superconducting or diamagnetic body with external magnetic field. Effects of small deviations from spherical shape may be also taken into account by introducing small corrections to the energy. This model allows investigating dynamical effects important for practical applications, such as nonlinear resonances, change of vibration plane, coupling of rotational and translational motions etc. We also show how the geometry of suspension affects various dynamical effects and how an inverse problem may be formulated to enforce or diminish various dynamical effects.Keywords: levitation, non-linear dynamics, superconducting, diamagnetic stability
Procedia PDF Downloads 4101143 Renewable Energy Interfaced Shunt Active Filter Using a Virtual Flux Direct Power Control
Authors: M. R. Bengourina, M. Rahli, L. Hassaine, S. Saadi
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In this study, we present a control method entitled virtual flux direct power control of a grid connected photovoltaic system associated with an active power filter. The virtual flux direct control of power (VF-DPC) is employed for the calculation of reference current generation. In this technique, the switches states of inverter are selected from a table of switching based on the immediate errors between the active and reactive powers and their reference values. The objectives of this paper are the reduction of Total Harmonic Distortion (THD) of source current, compensating reactive power and injecting the maximum active power available from the PV array into the load and/or grid. MATLAB/SIMULINK simulations are provided to demonstrate the performance of the proposed approach.Keywords: shunt active power filter, VF-DPC, photovoltaic, MPPT
Procedia PDF Downloads 3231142 Time Series Analysis of Air Pollution in Suceava County ( Nord- East of Romania)
Authors: Lazurca Liliana Gina
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Different time series analysis of yearly air pollution at Suceava County, Nord-East of Romania, has been performed in this study. The trends in the atmospheric concentrations of the main gaseous and particulate pollutants in urban, industrial and rural environments across Suceava County were estimated for the period of 2008-2014. The non-parametric Mann-Kendall test was used to determine the trends in the annual average concentrations of air pollutants (NO2, NO, NOx, SO2, CO, PM10, O3, C6H6). The slope was estimated using the non-parametric Sen’s method. Trend significance was assumed at the 5% significance level (p < 0.05) in the current study. During the 7 year period, trends in atmospheric concentrations may not have been monotonic, in some instances concentrations of species increased and subsequently decreased. The trend in Suceava County is to keep a low concentration of pollutants in ambient air respecting the limit values.All the results that we obtained show that Romania has taken a lot of regulatory measures to decrease the concentrations of air pollutants in the last decade, in Suceava County the air quality monitoring highlight for the most part of the analyzed pollutants decreasing trends. For the analyzed period we observed considerable improvements in background air in Suceava County.Keywords: pollutant, trend, air quality monitoring, Mann-Kendall
Procedia PDF Downloads 3651141 Study of the Behavior of Bolted Joints with and Without Reinforcement
Authors: Karim Akkouche
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Many methods have been developed for characterizing the behavior of bolted joints. However, in the presence of a certain model of stiffeners, no orientation was given in relation to their modeling. To this end, multitude of coarse errors can arise in the reproduction of the propagation of efforts and in representation of the modes of deformations. Considering these particularities, a numerical investigation was carried out in our laboratory. In this paper we will present a comparative study between three types of assemblies. A non-linear 3D modeling was chosen, given that it takes into consideration geometric and material non-linearity, using the Finite Element calculation code ABAQUS. Initially, we evaluated the influence of the presence of each stiffener on the "global" behavior of the assemblies, this by analyzing their Moment-Rotation curves, also by referring to the classification system proposed by NF EN 1993- 1.8 which is based on the resisting moment Mj-Rd and the initial stiffness Sj.int. In a second step, we evaluated the "local" behavior of their components by referring to the stress-strain curves.Keywords: assembly, post-beam, end plate, nonlinearity
Procedia PDF Downloads 741140 First-Principles Density Functional Study of Nitrogen-Doped P-Type ZnO
Authors: Abdusalam Gsiea, Ramadan Al-habashi, Mohamed Atumi, Khaled Atmimi
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We present a theoretical investigation on the structural, electronic properties and vibrational mode of nitrogen impurities in ZnO. The atomic structures, formation and transition energies and vibrational modes of (NO3)i interstitial or NO4 substituting on an oxygen site ZnO were computed using ab initio total energy methods. Based on Local density functional theory, our calculations are in agreement with one interpretation of bound-excition photoluminescence for N-doped ZnO. First-principles calculations show that (NO3)i defects interstitial or NO4 substituting on an Oxygen site in ZnO are important suitable impurity for p-type doping in ZnO. However, many experimental efforts have not resulted in reproducible p-type material with N2 and N2O doping. by means of first-principle pseudo-potential calculation we find that the use of NO or NO2 with O gas might help the experimental research to resolve the challenge of achieving p-type ZnO.Keywords: DFF, nitrogen, p-type, ZnO
Procedia PDF Downloads 4631139 Using ALOHA Code to Evaluate CO2 Concentration for Maanshan Nuclear Power Plant
Authors: W. S. Hsu, S. W. Chen, Y. T. Ku, Y. Chiang, J. R. Wang , J. H. Yang, C. Shih
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ALOHA code was used to calculate the concentration under the CO2 storage burst condition for Maanshan nuclear power plant (NPP) in this study. Five main data are input into ALOHA code including location, building, chemical, atmospheric, and source data. The data from Final Safety Analysis Report (FSAR) and some reports were used in this study. The ALOHA results are compared with the failure criteria of R.G. 1.78 to confirm the habitability of control room. The result of comparison presents that the ALOHA result is below the R.G. 1.78 criteria. This implies that the habitability of control room can be maintained in this case. The sensitivity study for atmospheric parameters was performed in this study. The results show that the wind speed has the larger effect in the concentration calculation.Keywords: PWR, ALOHA, habitability, Maanshan
Procedia PDF Downloads 1981138 A Review on Predictive Sound Recognition System
Authors: Ajay Kadam, Ramesh Kagalkar
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The proposed research objective is to add to a framework for programmed recognition of sound. In this framework the real errand is to distinguish any information sound stream investigate it & anticipate the likelihood of diverse sounds show up in it. To create and industrially conveyed an adaptable sound web crawler a flexible sound search engine. The calculation is clamor and contortion safe, computationally productive, and hugely adaptable, equipped for rapidly recognizing a short portion of sound stream caught through a phone microphone in the presence of frontal area voices and other predominant commotion, and through voice codec pressure, out of a database of over accessible tracks. The algorithm utilizes a combinatorial hashed time-recurrence group of stars examination of the sound, yielding ordinary properties, for example, transparency, in which numerous tracks combined may each be distinguished.Keywords: fingerprinting, pure tone, white noise, hash function
Procedia PDF Downloads 3221137 Object Recognition Approach Based on Generalized Hough Transform and Color Distribution Serving in Generating Arabic Sentences
Authors: Nada Farhani, Naim Terbeh, Mounir Zrigui
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The recognition of the objects contained in images has always presented a challenge in the field of research because of several difficulties that the researcher can envisage because of the variability of shape, position, contrast of objects, etc. In this paper, we will be interested in the recognition of objects. The classical Hough Transform (HT) presented a tool for detecting straight line segments in images. The technique of HT has been generalized (GHT) for the detection of arbitrary forms. With GHT, the forms sought are not necessarily defined analytically but rather by a particular silhouette. For more precision, we proposed to combine the results from the GHT with the results from a calculation of similarity between the histograms and the spatiograms of the images. The main purpose of our work is to use the concepts from recognition to generate sentences in Arabic that summarize the content of the image.Keywords: recognition of shape, generalized hough transformation, histogram, spatiogram, learning
Procedia PDF Downloads 1581136 Conception of a Predictive Maintenance System for Forest Harvesters from Multiple Data Sources
Authors: Lazlo Fauth, Andreas Ligocki
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For cost-effective use of harvesters, expensive repairs and unplanned downtimes must be reduced as far as possible. The predictive detection of failing systems and the calculation of intelligent service intervals, necessary to avoid these factors, require in-depth knowledge of the machines' behavior. Such know-how needs permanent monitoring of the machine state from different technical perspectives. In this paper, three approaches will be presented as they are currently pursued in the publicly funded project PreForst at Ostfalia University of Applied Sciences. These include the intelligent linking of workshop and service data, sensors on the harvester, and a special online hydraulic oil condition monitoring system. Furthermore the paper shows potentials as well as challenges for the use of these data in the conception of a predictive maintenance system.Keywords: predictive maintenance, condition monitoring, forest harvesting, forest engineering, oil data, hydraulic data
Procedia PDF Downloads 144