Search results for: Density functional
1492 Molecular and Electronic Structure of Chromium (III) Cyclopentadienyl Complexes
Authors: Salem El-tohami Ashoor
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Here, we have shown the reaction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri 2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, for optimization we used density functional theory (DFT), under methods, explicitly including electrons correlations, for the final calculations as MB3LYP (Becke) (Lee–Yang–Parr) level of theory we used to obtain more exact results. This complex was calculated as electronic energy for molecular system, because the calculation accounting all electrons correlations interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp = C5H5) was found to be thermally stable. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.Keywords: Chromium (III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 12731491 Current Distribution and Cathode Flooding Prediction in a PEM Fuel Cell
Authors: A. Jamekhorshid, G. Karimi, I. Noshadi, A. Jahangiri
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Non-uniform current distribution in polymer electrolyte membrane fuel cells results in local over-heating, accelerated ageing, and lower power output than expected. This issue is very critical when fuel cell experiences water flooding. In this work, the performance of a PEM fuel cell is investigated under cathode flooding conditions. Two-dimensional partially flooded GDL models based on the conservation laws and electrochemical relations are proposed to study local current density distributions along flow fields over a wide range of cell operating conditions. The model results show a direct association between cathode inlet humidity increases and that of average current density but the system becomes more sensitive to flooding. The anode inlet relative humidity shows a similar effect. Operating the cell at higher temperatures would lead to higher average current densities and the chance of system being flooded is reduced. In addition, higher cathode stoichiometries prevent system flooding but the average current density remains almost constant. The higher anode stoichiometry leads to higher average current density and higher sensitivity to cathode flooding.Keywords: Current distribution, Flooding, Hydrogen energysystem, PEM fuel cell.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 24101490 Compressive Strength and Capillary Water Absorption of Concrete Containing Recycled Aggregate
Authors: Yeşim Tosun, Remzi Şahin
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This paper presents results of compressive strength, capillary water absorption, and density tests conducted on concrete containing recycled aggregate (RCA) which is obtained from structural waste generated by the construction industry in Turkey. In the experiments, 0%, 15%, 30%, 45% and 60% of the normal (natural) coarse aggregate was replaced by the recycled aggregate. Maximum aggregate particle sizes were selected as 16 mm, 22,4 mm and 31,5 mm; and 0,06%, 0,13% and 0,20% of air-entraining agent (AEA) were used in mixtures. Fly ash and superplasticizer were used as a mineral and chemical admixture, respectively. The same type (CEM I 42.5) and constant dosage of cement were used in the study. Water/cement ratio was kept constant as 0.53 for all mixture. It was concluded that capillary water absorption, compressive strength, and density of concrete decreased with increasing RCA ratio. Increasing in maximum aggregate particle size and amount of AEA also affect the properties of concrete significantly.Keywords: Capillary water absorption, compressive strength, density, recycled concrete aggregates.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 28181489 Periodicity for a Food Chain Model with Functional Responses on Time Scales
Authors: Kejun Zhuang
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With the help of coincidence degree theory, sufficient conditions for existence of periodic solutions for a food chain model with functional responses on time scales are established.Keywords: time scales, food chain model, coincidence degree, periodic solutions.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 17121488 Synthesis, Investigation, DFT Study and Biological Activity of Zirconium (IV) Complexes
Authors: Salem El-t. Ashoor, Ibtisam M. Ediab
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Zirconium diamine and triamine complexes can possess biological activities. These complexes were synthesised via the reaction of equimolar quantities of 1,10-phenanthroline {NC3H3(C6H2)NC3H3} (L1) or 4-4-amino phenazone {ONC6H5(NH)CH(NH2} (L2) or diphenyl carbizon {HNNCO(NH)2(C6H5)} (L3) with a Zirconium Salt {ZrOCl2} in a 1:1 ratio to form complexes [{NC3H3(C6H2)NC3H3}ZrOCl2}] [ZrOCl2L1], [{(O2NC6H4(NH)(NH2)}ZrOCl2] [ZrOCl2L2] and [{HNNCO(NH)2(C6H5)ZrOCl2}] [ZrOCl2L3] respectively. They were characterised using Fourier Transform Infrared (FT-IR) and UV-Visible spectroscopy. Also a variable temperature study of these complexes was completed, using UV-Visible spectroscopy to observe electronic transitions under temperature control. Also a DFT study was done on these complexes via the information from FT-IR and UV-Visible spectroscopy.
These complexes were found to show different inhibition to the growth of bacterial strains of Bacillus spp. & Klebsiella spp. & E. coli & Proteus spp. & Pseudomona spp. at different concentrations (0.001, 0.2 and 1M). For better understanding these complexes were examined by using a Density Functional Theory (DFT) calculation.
Keywords: (1:10-phenanthroline) (L1), 4-4-amino phenazone (L2), diphenyl carbizon (L3), DFT study, antibacterial.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 18621487 Evaluating the Response of Rainfed-Chickpea to Population Density in Iran, Using Simulation
Authors: Manoochehr Gholipoor
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The response of growth and yield of rainfed-chickpea to population density should be evaluated based on long-term experiments to include the climate variability. This is achievable just by simulation. In this simulation study, this evaluation was done by running the CYRUS model for long-term daily weather data of five locations in Iran. The tested population densities were 7 to 59 (with interval of 2) stands per square meter. Various functions, including quadratic, segmented, beta, broken linear, and dent-like functions, were tested. Considering root mean square of deviations and linear regression statistics [intercept (a), slope (b), and correlation coefficient (r)] for predicted versus observed variables, the quadratic and broken linear functions appeared to be appropriate for describing the changes in biomass and grain yield, and in harvest index, respectively. Results indicated that in all locations, grain yield tends to show increasing trend with crowding the population, but subsequently decreases. This was also true for biomass in five locations. The harvest index appeared to have plateau state across low population densities, but decreasing trend with more increasing density. The turning point (optimum population density) for grain yield was 30.68 stands per square meter in Isfahan, 30.54 in Shiraz, 31.47 in Kermanshah, 34.85 in Tabriz, and 32.00 in Mashhad. The optimum population density for biomass ranged from 24.6 (in Tabriz) to 35.3 stands per square meter (Mashhad). For harvest index it varied between 35.87 and 40.12 stands per square meter.Keywords: Rainfed-chickpea, biomass, harvest index, grain yield, simulation.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 13341486 Controlled Synchronization of an Array of Nonlinear System with Time Delays
Authors: S.M. Lee, J.H. Koo, J.H. Park, S.C. Won
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In this paper, we propose synchronization of an array of nonlinear systems with time delays. The array of systems is decomposed into isolated systems to establish appropriate Lyapunov¬Krasovskii functional. Using the Lyapunov-Krasovskii functional, a sufficient condition for the synchronization is derived in terms of LMIs(Linear Matrix Inequalities). Delayed feedback control gains are obtained by solving the sufficient condition. Numerical examples are given to show the validity the proposed method.
Keywords: Synchronization, Delay, Lyapunov method, LMI.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 14441485 Functional Near Infrared Spectroscope for Cognition Brain Tasks by Wavelets Analysis and Neural Networks
Authors: Truong Quang Dang Khoa, Masahiro Nakagawa
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Brain Computer Interface (BCI) has been recently increased in research. Functional Near Infrared Spectroscope (fNIRs) is one the latest technologies which utilize light in the near-infrared range to determine brain activities. Because near infrared technology allows design of safe, portable, wearable, non-invasive and wireless qualities monitoring systems, fNIRs monitoring of brain hemodynamics can be value in helping to understand brain tasks. In this paper, we present results of fNIRs signal analysis indicating that there exist distinct patterns of hemodynamic responses which recognize brain tasks toward developing a BCI. We applied two different mathematics tools separately, Wavelets analysis for preprocessing as signal filters and feature extractions and Neural networks for cognition brain tasks as a classification module. We also discuss and compare with other methods while our proposals perform better with an average accuracy of 99.9% for classification.Keywords: functional near infrared spectroscope (fNIRs), braincomputer interface (BCI), wavelets, neural networks, brain activity, neuroimaging.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 20371484 A Comparative Analysis of Performance and QoS Issues in MANETs
Authors: Javed Parvez, Mushtaq Ahmad Peer
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Mobile Ad hoc networks (MANETs) are collections of wireless mobile nodes dynamically reconfiguring and collectively forming a temporary network. These types of networks assume existence of no fixed infrastructure and are often useful in battle-field tactical operations or emergency search-and-rescue type of operations where fixed infrastructure is neither feasible nor practical. They also find use in ad hoc conferences, campus networks and commercial recreational applications carrying multimedia traffic. All of the above applications of MANETs require guaranteed levels of performance as experienced by the end-user. This paper focuses on key challenges in provisioning predetermined levels of such Quality of Service (QoS). It also identifies functional areas where QoS models are currently defined and used. Evolving functional areas where performance and QoS provisioning may be applied are also identified and some suggestions are provided for further research in this area. Although each of the above functional areas have been discussed separately in recent research studies, since these QoS functional areas are highly correlated and interdependent, a comprehensive and comparative analysis of these areas and their interrelationships is desired. In this paper we have attempted to provide such an overview.Keywords: Bandwidth Reservation, Congestion, DynamicNetwork Topology, End-to-End Delay, Flexible QoS Model forMANET(FQMM), Hidden Terminal, Mobile AdhocNetwork(MANET), Packet Jitter, Queuing, Quality-of-Service(QoS), Relative Bandwidth Service Differentiation(RBSD), Resource ReSerVation Protocol (RSVP).
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 21461483 Assessing the Ways of Improving the Power Saving Modes in the Ore-Grinding Technological Process
Authors: Baghdasaryan Marinka
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Monitoring the distribution of electric power consumption in the technological process of ore grinding is conducted. As a result, the impacts of the mill filling rate, the productivity of the ore supply, the volumetric density of the grinding balls, the specific density of the ground ore, and the relative speed of the mill rotation on the specific consumption of electric power have been studied. The power and technological factors affecting the reactive power generated by the synchronous motors, operating within the technological scheme are studied. A block diagram for evaluating the power consumption modes of the technological process is presented, which includes the analysis of the technological scheme, the determination of the place and volumetric density of the ore-grinding mill, the evaluation of the technological and power factors affecting the energy saving process, as well as the assessment of the electric power standards.
Keywords: Electric power standard, factor, ore grinding, power consumption, reactive power, technological.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 9001482 Forecast of Polyethylene Properties in the Gas Phase Polymerization Aided by Neural Network
Authors: Nasrin Bakhshizadeh, Ashkan Forootan
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A major problem that affects the quality control of polymer in the industrial polymerization is the lack of suitable on-line measurement tools to evaluate the properties of the polymer such as melt and density indices. Controlling the polymerization in ordinary method is performed manually by taking samples, measuring the quality of polymer in the lab and registry of results. This method is highly time consuming and leads to producing large number of incompatible products. An online application for estimating melt index and density proposed in this study is a neural network based on the input-output data of the polyethylene production plant. Temperature, the level of reactors' bed, the intensity of ethylene mass flow, hydrogen and butene-1, the molar concentration of ethylene, hydrogen and butene-1 are used for the process to establish the neural model. The neural network is taught based on the actual operational data and back-propagation and Levenberg-Marquart techniques. The simulated results indicate that the neural network process model established with three layers (one hidden layer) for forecasting the density and the four layers for the melt index is able to successfully predict those quality properties.
Keywords: Polyethylene, polymerization, density, melt index, neural network.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 6851481 Adaptive Functional Projective Lag Synchronization of Lorenz System
Authors: Tae H. Lee, J.H. Park, S.M. Lee, H.Y. Jung
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This paper addresses functional projective lag synchronization of Lorenz system with four unknown parameters, where the output of the master system lags behind the output of the slave system proportionally. For this purpose, an adaptive control law is proposed to make the states of two identical Lorenz systems asymptotically synchronize up. Based on Lyapunov stability theory, a novel criterion is given for asymptotical stability of the null solution of an error dynamics. Finally, some numerical examples are provided to show the effectiveness of our results.
Keywords: Adaptive function projective synchronization, Chaotic system, Lag synchronization, Lyapunov method
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 16051480 Unsupervised Feature Selection Using Feature Density Functions
Authors: Mina Alibeigi, Sattar Hashemi, Ali Hamzeh
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Since dealing with high dimensional data is computationally complex and sometimes even intractable, recently several feature reductions methods have been developed to reduce the dimensionality of the data in order to simplify the calculation analysis in various applications such as text categorization, signal processing, image retrieval, gene expressions and etc. Among feature reduction techniques, feature selection is one the most popular methods due to the preservation of the original features. In this paper, we propose a new unsupervised feature selection method which will remove redundant features from the original feature space by the use of probability density functions of various features. To show the effectiveness of the proposed method, popular feature selection methods have been implemented and compared. Experimental results on the several datasets derived from UCI repository database, illustrate the effectiveness of our proposed methods in comparison with the other compared methods in terms of both classification accuracy and the number of selected features.Keywords: Feature, Feature Selection, Filter, Probability Density Function
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 20771479 Scatterer Density in Edge and Coherence Enhancing Nonlinear Anisotropic Diffusion for Medical Ultrasound Speckle Reduction
Authors: Ahmed Badawi, J. Michael Johnson, Mohamed Mahfouz
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This paper proposes new enhancement models to the methods of nonlinear anisotropic diffusion to greatly reduce speckle and preserve image features in medical ultrasound images. By incorporating local physical characteristics of the image, in this case scatterer density, in addition to the gradient, into existing tensorbased image diffusion methods, we were able to greatly improve the performance of the existing filtering methods, namely edge enhancing (EE) and coherence enhancing (CE) diffusion. The new enhancement methods were tested using various ultrasound images, including phantom and some clinical images, to determine the amount of speckle reduction, edge, and coherence enhancements. Scatterer density weighted nonlinear anisotropic diffusion (SDWNAD) for ultrasound images consistently outperformed its traditional tensor-based counterparts that use gradient only to weight the diffusivity function. SDWNAD is shown to greatly reduce speckle noise while preserving image features as edges, orientation coherence, and scatterer density. SDWNAD superior performances over nonlinear coherent diffusion (NCD), speckle reducing anisotropic diffusion (SRAD), adaptive weighted median filter (AWMF), wavelet shrinkage (WS), and wavelet shrinkage with contrast enhancement (WSCE), make these methods ideal preprocessing steps for automatic segmentation in ultrasound imaging.Keywords: Nonlinear anisotropic diffusion, ultrasound imaging, speckle reduction, scatterer density estimation, edge based enhancement, coherence enhancement.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 19061478 An Experimental Study of Structural, Optical and Magnetic Properties of Lithium Ferrite
Authors: S. Malathi, P. Seenuvasakumaran
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Nanomaterials ferrites have applications in making permanent magnets, high density information devices, color imaging etc. In the present examination, lithium ferrite is synthesized by sol-gel process. The x-ray diffraction (XRD) result shows that the structure of lithium ferrite is monoclinic structure. The average particle size 22 nm is calculated by Scherer formula. The lattice parameters and dislocation density (δ) are calculated from XRD data. Strain (ε) values are evaluated from Williamson – hall plot. The FT-IR study reveals the formation of ferrites showing the significant absorption bands. The VU-VIS spectroscopic data is used to calculate direct and indirect optical band gap (Eg) of 1.57eV and 1.01eV respectively for lithium ferrite by using Tauc plot at the edge of the absorption band. The energy dispersive x-ray analysis spectra showed that the expected elements exist in the material. The magnetic behaviour of the materials studied using vibrating sample magnetometer (VSM).Keywords: Sol-gel, dislocation density, energy band gap, VSM.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 17941477 Suitability of Newsprint and Kraft Papers as Materials for Cement Bonded Ceiling Board
Authors: J. M. Owoyemi, O. S. Ogunrinde
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The suitability of Newsprint and Kraft papers for the production of cement bonded ceiling board was investigated. Sample boards were produced from newsprint paper (100%), mixture of newsprint and Kraft paper (50:50) and Kraft paper (100%) at 1:1, 2:1 and 3:1 cement/paper mixing ratio respectively with 3% additive concentration of calcium chloride (CaCl2). Density, flexural and thickness swelling properties of the boards were investigated. The effects of paper type and mixing ratio on the physical and mechanical properties were also examined. The bending properties of the board which include Modulus of Elasticity (MOE) and Modulus of Rupture (MOR) increased linearly with increase in density. Modulus of rupture of boards increased as the density and mixing ratio increased. The thickness swelling property for the two paper types decreased as the board density and mixing ratio increased. Boards made from Kraft paper recorded higher strength values than the ones made from recycled newsprint paper while the mixture of kraft and newsprint papers had the best surface finish. The result of the study will help in managing the large quality of waste from paper converting/carton industry and that the ceiling boards produced could be installed with clout nails or used with suspended ceiling fittings.
Keywords: Cement, Kraft paper, Mixing ratio, Newsprint.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 37671476 Suggestion of Ultrasonic System for Diagnosis of Functional Gastrointestinal Disorders: Finite Difference Analysis, Development and Clinical Trials
Authors: Won-Pil Park, Qyoun-Jung Lee, Dae-Gon Woo, Chang-Yong Ko, Eun-Geun Kim, Dohyung Lim, Yong-Heum Lee, Tae-Min Shin, Han-Sung Kim
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The disaster from functional gastrointestinal disorders has detrimental impact on the quality of life of the effected population and imposes a tremendous social and economic burden. There are, however, rare diagnostic methods for the functional gastrointestinal disorders. Our research group identified recently that the gastrointestinal tract well in the patients with the functional gastrointestinal disorders becomes more rigid than healthy people when palpating the abdominal regions overlaying the gastrointestinal tract. Objective of current study is, therefore, identify feasibility of a diagnostic system for the functional gastrointestinal disorders based on ultrasound technique, which can quantify the characteristics above. Two-dimensional finite difference (FD) models (one normal and two rigid model) were developed to analyze the reflective characteristic (displacement) on each soft-tissue layer responded after application of ultrasound signals. The FD analysis was then based on elastic ultrasound theory. Validation of the model was performed via comparison of the characteristic of the ultrasonic responses predicted by FD analysis with that determined from the actual specimens for the normal and rigid conditions. Based on the results from FD analysis, ultrasound system for diagnosis of the functional gastrointestinal disorders was developed and clinically tested via application of it to 40 human subjects with/without functional gastrointestinal disorders who were assigned to Normal and Patient Groups. The FD models were favorably validated. The results from FD analysis showed that the maximum displacement amplitude in the rigid models (0.12 and 0.16) at the interface between the fat and muscle layers was explicitly less than that in the normal model (0.29). The results from actual specimens showed that the maximum amplitude of the ultrasonic reflective signal in the rigid models (0.2±0.1Vp-p) at the interface between the fat and muscle layers was explicitly higher than that in the normal model (0.1±0.2 Vp-p). Clinical tests using our customized ultrasound system showed that the maximum amplitudes of the ultrasonic reflective signals near to the gastrointestinal tract well for the patient group (2.6±0.3 Vp-p) were generally higher than those in normal group (0.1±0.2 Vp-p). Here, maximum reflective signals was appeared at 20mm depth approximately from abdominal skin for all human subjects, corresponding to the location of the boundary layer close to gastrointestinal tract well. These findings suggest that our customized ultrasound system using the ultrasonic reflective signal may be helpful to the diagnosis of the functional gastrointestinal disorders.Keywords: Finite Difference (FD) Analysis, FunctionalGastrointestinal Disorders, Gastrointestinal Tract, UltrasonicResponses.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 16151475 Permanence and Exponential Stability of a Predator-prey Model with HV-Holling Functional Response
Authors: Kai Wang, Yanling Zu
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In this paper, a delayed predator-prey system with Hassell-Varley-Holling type functional response is studied. A sufficient criterion for the permanence of the system is presented, and further some sufficient conditions for the global attractivity and exponential stability of the system are established. And an example is to show the feasibility of the results by simulation.
Keywords: Predator-prey system, Hassell-Varley-Holling, delay, permanence, exponential stability.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 15831474 Altered Network Organization in Mild Alzheimer's Disease Compared to Mild Cognitive Impairment Using Resting-State EEG
Authors: Chia-Feng Lu, Yuh-Jen Wang, Shin Teng, Yu-Te Wu, Sui-Hing Yan
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Brain functional networks based on resting-state EEG data were compared between patients with mild Alzheimer’s disease (mAD) and matched patients with amnestic subtype of mild cognitive impairment (aMCI). We integrated the time–frequency cross mutual information (TFCMI) method to estimate the EEG functional connectivity between cortical regions and the network analysis based on graph theory to further investigate the alterations of functional networks in mAD compared with aMCI group. We aimed at investigating the changes of network integrity, local clustering, information processing efficiency, and fault tolerance in mAD brain networks for different frequency bands based on several topological properties, including degree, strength, clustering coefficient, shortest path length, and efficiency. Results showed that the disruptions of network integrity and reductions of network efficiency in mAD characterized by lower degree, decreased clustering coefficient, higher shortest path length, and reduced global and local efficiencies in the delta, theta, beta2, and gamma bands were evident. The significant changes in network organization can be used in assisting discrimination of mAD from aMCI in clinical.
Keywords: EEG, functional connectivity, graph theory, TFCMI.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 25051473 O-Functionalized CNT Mediated CO Hydro-Deoxygenation and Chain Growth
Authors: K. Mondal, S. Talapatra, M. Terrones, S. Pokhrel, C. Frizzel, B. Sumpter, V. Meunier, A. L. Elias
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Worldwide energy independence is reliant on the ability to leverage locally available resources for fuel production. Recently, syngas produced through gasification of carbonaceous materials provided a gateway to a host of processes for the production of various chemicals including transportation fuels. The basis of the production of gasoline and diesel-like fuels is the Fischer Tropsch Synthesis (FTS) process: A catalyzed chemical reaction that converts a mixture of carbon monoxide (CO) and hydrogen (H2) into long chain hydrocarbons. Until now, it has been argued that only transition metal catalysts (usually Co or Fe) are active toward the CO hydrogenation and subsequent chain growth in the presence of hydrogen. In this paper, we demonstrate that carbon nanotube (CNT) surfaces are also capable of hydro-deoxygenating CO and producing long chain hydrocarbons similar to that obtained through the FTS but with orders of magnitude higher conversion efficiencies than the present state-of-the-art FTS catalysts. We have used advanced experimental tools such as XPS and microscopy techniques to characterize CNTs and identify C-O functional groups as the active sites for the enhanced catalytic activity. Furthermore, we have conducted quantum Density Functional Theory (DFT) calculations to confirm that C-O groups (inherent on CNT surfaces) could indeed be catalytically active towards reduction of CO with H2, and capable of sustaining chain growth. The DFT calculations have shown that the kinetically and thermodynamically feasible route for CO insertion and hydro-deoxygenation are different from that on transition metal catalysts. Experiments on a continuous flow tubular reactor with various nearly metal-free CNTs have been carried out and the products have been analyzed. CNTs functionalized by various methods were evaluated under different conditions. Reactor tests revealed that the hydrogen pre-treatment reduced the activity of the catalysts to negligible levels. Without the pretreatment, the activity for CO conversion as found to be 7 µmol CO/g CNT/s. The O-functionalized samples showed very activities greater than 85 µmol CO/g CNT/s with nearly 100% conversion. Analyses show that CO hydro-deoxygenation occurred at the C-O/O-H functional groups. It was found that while the products were similar to FT products, differences in selectivities were observed which, in turn, was a result of a different catalytic mechanism. These findings now open a new paradigm for CNT-based hydrogenation catalysts and constitute a defining point for obtaining clean, earth abundant, alternative fuels through the use of efficient and renewable catalyst.
Keywords: CNT, CO hydro-deoxygenation, DFT, liquid fuels, XPS, XTL.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 7771472 The Effect of Surface Modifiers on the Mechanical and Morphological Properties of Waste Silicon Carbide Filled High-Density Polyethylene
Authors: R. Dangtungee, A. Rattanapan, S. Siengchin
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Waste silicon carbide (waste SiC) filled high-density polyethylene (HDPE) with and without surface modifiers were studied. Two types of surface modifiers namely; high-density polyethylene-grafted-maleic anhydride (HDPE-g-MA) and 3-aminopropyltriethoxysilane have been used in this study. The composites were produced using a two roll mill, extruder and shaped in a hydraulic compression molding machine. The mechanical properties of polymer composites such as flexural strength and modulus, impact strength, tensile strength, stiffness and hardness were investigated over a range of compositions. It was found that, flexural strength and modulus, tensile modulus and hardness increased, whereas impact strength and tensile strength decreased with the increasing in filler contents, compared to the neat HDPE. At similar filler content, the effect of both surface modifiers increased flexural modulus, impact strength, tensile strength and stiffness but reduced the flexural strength. Morphological investigation using SEM revealed that the improvement in mechanical properties was due to enhancement of the interfacial adhesion between waste SiC and HDPE.
Keywords: High-density polyethylene, HDPE-g-MA, mechanical properties, morphological properties, silicon carbide, waste silicon carbide.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 23971471 Modeling Approaches for Large-Scale Reconfigurable Engineering Systems
Authors: Kwa-Sur Tam
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This paper reviews various approaches that have been used for the modeling and simulation of large-scale engineering systems and determines their appropriateness in the development of a RICS modeling and simulation tool. Bond graphs, linear graphs, block diagrams, differential and difference equations, modeling languages, cellular automata and agents are reviewed. This tool should be based on linear graph representation and supports symbolic programming, functional programming, the development of noncausal models and the incorporation of decentralized approaches.Keywords: Interdisciplinary, dynamic, functional programming, object-oriented.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 14941470 Silicone on Blending Vegetal Petrochemical Based Polyurethane
Authors: Flora E. Firdaus
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Polyurethane foam (PUF) is formed by a chemical reaction of polyol and isocyanate. The aim is to understand the impact of Silicone on synthesizing polyurethane in differentiate volume of molding. The method used was one step process, which is simultaneously caried out a blending polyol (petroleum polyol and soybean polyol), a TDI (2,4):MDI (4,4-) (80:20), a distilled water, and a silicone. The properties of the material were measured via a number of parameters, which are polymer density, compressive strength, and cellular structures. It is found that density of polyurethane using silicone with volume of molding either 250 ml or 500 ml is lower than without using silicone.Keywords: soybean, petro, silicone, polyurethane
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 19861469 A New Sufficient Conditions of Stability for Discrete Time Non-autonomous Delayed Hopfield Neural Networks
Authors: Adnene Arbi, Chaouki Aouiti, Abderrahmane Touati
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In this paper, we consider the uniform asymptotic stability, global asymptotic stability and global exponential stability of the equilibrium point of discrete Hopfield neural networks with delays. Some new stability criteria for system are derived by using the Lyapunov functional method and the linear matrix inequality approach, for estimating the upper bound of Lyapunov functional derivative.
Keywords: Hopfield neural networks, uniform asymptotic stability, global asymptotic stability, exponential stability.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 19701468 Multiple Positive Periodic Solutions to a Predator-prey system with Harvesting Terms and Holling II Type Functional Response
Authors: Pan Wang, Yongkun Li
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In this paper, a periodic predator-prey system with harvesting terms and Holling II type functional response is considered. Sufficient criteria for the existence of at least sixteen periodic solutions are established by using the well known continuation theorem due to Mawhin. An example is given to illustrate the main result.
Keywords: Periodic solution, predator-prey system, harvesting terms, continuation theorem.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 12861467 Effects of Axial Loads and Soil Density on Pile Group Subjected to Triangular Soil Movement
Authors: Ihsan Al-Abboodi, Tahsin Toma-Sabbagh
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Laboratory tests have been carried out to investigate the response of 2x2 pile group subjected to triangular soil movement. The pile group was instrumented with displacement and tilting devices at the pile cap and strain gauges on two piles of the group. In this paper, results from four model tests were presented to study the effects of axial loads and soil density on the lateral behavior of piles. The responses in terms of bending moment, shear force, soil pressure, deflection, and rotation of piles were compared. Test results indicate that increasing the soil strength could increase the measured moment, shear, soil pressure, and pile deformations. Most importantly, adding loads to the pile cap induces additional moment to the head of front-pile row unlike the back-pile row which was influenced insignificantly.
Keywords: Pile group, passive piles, lateral soil movement, soil density, axial loads.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 11581466 Characterization of Microroughness Parameters in Cu and Cu2O Nanoparticles Embedded in Carbon Film
Authors: S.Solaymani, T.Ghodselahi, N.B.Nezafat, H.Zahrabi, A.Gelali
Abstract:
The morphological parameter of a thin film surface can be characterized by power spectral density (PSD) functions which provides a better description to the topography than the RMS roughness and imparts several useful information of the surface including fractal and superstructure contributions. Through the present study Nanoparticle copper/carbon composite films were prepared by co-deposition of RF-Sputtering and RF-PECVD method from acetylene gas and copper target. Surface morphology of thin films is characterized by using atomic force microscopy (AFM). The Carbon content of our films was obtained by Rutherford Back Scattering (RBS) and it varied from .4% to 78%. The power values of power spectral density (PSD) for the AFM data were determined by the fast Fourier transform (FFT) algorithms. We investigate the effect of carbon on the roughness of thin films surface. Using such information, roughness contributions of the surface have been successfully extracted.Keywords: Atomic force microscopy, Fast Fourier transform, Power spectral density, RBS.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 24821465 Physical Properties of Nine Nigerian Staple Food Flours Related to Bulk Handling and Processing
Authors: Ogunsina Babatunde, Aregbesola Omotayo, Adebayo Adewale, Odunlami Johnson
Abstract:
The physical properties of nine Nigerian staple food flours related to bulk handling and processing were investigated following standard procedures. The results showed that the moisture content, bulk density, angle of repose, water absorption capacity, swelling index, dispersability, pH and wettability of the flours ranged from 9.95 to 11.98%, 0.44 to 0.66 g/cm3, 31.43 to 39.65o, 198.3 to 291.7 g of water/100 g of sample, 5.53 to 7.63, 60.3 to 73.8%, 4.43 to 6.70, and 11 to 150 s. The particle size analysis of the flour samples indicated significant differences (p<0.05). The least gelation concentration of the flour samples ranged from 6 to 14%. The colour of the flours fell between light and saturated, with the exception of cassava, millet and maize flours which appear dark and dull. The properties of food flours depend largely on the inherent property of the food material and may influence their functional behaviour as food materials.
Keywords: Properties, staple food flours, Nigeria, cereals, tuber, root crops, fruits.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 23121464 Noise Performance of Millimeter-wave Silicon Based Mixed Tunneling Avalanche Transit Time(MITATT) Diode
Authors: Aritra Acharyya, Moumita Mukherjee, J. P. Banerjee
Abstract:
A generalized method for small-signal simulation of avalanche noise in Mixed Tunneling Avalanche Transit Time (MITATT) device is presented in this paper where the effect of series resistance is taken into account. The method is applied to a millimeter-wave Double Drift Region (DDR) MITATT device based on Silicon to obtain noise spectral density and noise measure as a function of frequency for different values of series resistance. It is found that noise measure of the device at the operating frequency (122 GHz) with input power density of 1010 Watt/m2 is about 35 dB for hypothetical parasitic series resistance of zero ohm (estimated junction temperature = 500 K). Results show that the noise measure increases as the value of parasitic resistance increases.Keywords: Noise Analysis, Silicon MITATT, Admittancecharacteristics, Noise spectral density.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 16071463 3D Liver Segmentation from CT Images Using a Level Set Method Based on a Shape and Intensity Distribution Prior
Authors: Nuseiba M. Altarawneh, Suhuai Luo, Brian Regan, Guijin Tang
Abstract:
Liver segmentation from medical images poses more challenges than analogous segmentations of other organs. This contribution introduces a liver segmentation method from a series of computer tomography images. Overall, we present a novel method for segmenting liver by coupling density matching with shape priors. Density matching signifies a tracking method which operates via maximizing the Bhattacharyya similarity measure between the photometric distribution from an estimated image region and a model photometric distribution. Density matching controls the direction of the evolution process and slows down the evolving contour in regions with weak edges. The shape prior improves the robustness of density matching and discourages the evolving contour from exceeding liver’s boundaries at regions with weak boundaries. The model is implemented using a modified distance regularized level set (DRLS) model. The experimental results show that the method achieves a satisfactory result. By comparing with the original DRLS model, it is evident that the proposed model herein is more effective in addressing the over segmentation problem. Finally, we gauge our performance of our model against matrices comprising of accuracy, sensitivity, and specificity.
Keywords: Bhattacharyya distance, distance regularized level set (DRLS) model, liver segmentation, level set method.
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