Search results for: lattice Boltzmannmethod
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 147

Search results for: lattice Boltzmannmethod

57 Preparation and Antibacterial Properties of Ag+-Exchanged Tobermorite-Chitosan Films

Authors: Andrew P. Hurt, George J. Vine, Samantha E. Booth, Nichola J. Coleman

Abstract:

Silver-exchanged zeolites and clays are used in polymer composites to confer broad-spectrum antimicrobial properties on a range of functional materials. Tobermorite is a layer lattice mineral whose potential as a carrier for Ag+ ions in antibacterial composites has not yet been investigated. Accordingly, in this study, synthetic tobermorite was ion-exchanged with 10 wt% silver ions and the resulting material was incorporated into a composite film with chitosan. Chitosan is a biocompatible, biodegradable derivative of chitin, a polysaccharide obtained from the shells of crustaceans. The solvent-cast Ag+-exchanged tobermorite-chitosan films were found to exhibit antimicrobial action against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa.

Keywords: Antimicrobial, chitosan, silver, tobermorite.

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56 Top-Down Influences to Multistable Perception: Evidence from Temporal Dynamics

Authors: Daria N. Podvigina, Tatiana V. Chernigovskaya

Abstract:

We have studied the temporal characteristics of bistable perception of the stimuli of two types: one involves alterations in a perceived depth and another one has an ambiguous content. We used the Necker lattice and lines of shadowed circles ambiguously perceived either as spheres or holes as stimuli of the first type. The Winson figure (the Eskimo/Indian picture) was a stimulus of the second type. We have analyzed how often the reversals occurred (reversal rate) and for how long each of the two interpretations, or percepts, was observed during one presentation (stability durations). For all three ambiguous images the reversal rate and the stability durations had similar values, which provide another evidence for a significant role of top-down processes in multistable perception.

Keywords: Multistable perception, perceived depth, reversal rate, top-down processes.

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55 An Edit-Distance Algorithm to Detect Correlated Attacks in Distributed Systems

Authors: Sule Simsek

Abstract:

Intrusion detection systems (IDS)are crucial components of the security mechanisms of today-s computer systems. Existing research on intrusion detection has focused on sequential intrusions. However, intrusions can also be formed by concurrent interactions of multiple processes. Some of the intrusions caused by these interactions cannot be detected using sequential intrusion detection methods. Therefore, there is a need for a mechanism that views the distributed system as a whole. L-BIDS (Lattice-Based Intrusion Detection System) is proposed to address this problem. In the L-BIDS framework, a library of intrusions and distributed traces are represented as lattices. Then these lattices are compared in order to detect intrusions in the distributed traces.

Keywords: Attack graph, distributed, edit-distance, misuse detection.

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54 Structural Analysis of an Active Morphing Wing for Enhancing UAV Performance

Authors: E. Kaygan, A. Gatto

Abstract:

A numerical study of a design concept for actively controlling wing twist is described in this paper. The concept consists of morphing elements which were designed to provide a rigid and seamless skin while maintaining structural rigidity. The wing structure is first modeled in CATIA V5 then imported into ANSYS for structural analysis. Athena Vortex Lattice method (AVL) is used to estimate aerodynamic response as well as aerodynamic loads of morphing wings, afterwards a structural optimization performed via ANSYS Static. Overall, the results presented in this paper show that the concept provides efficient wing twist while preserving an aerodynamically smooth and compliant surface. Sufficient structural rigidity in bending is also obtained. This concept is suggested as a possible alternative for morphing skin applications. 

Keywords: Aircraft, morphing, skin, twist.

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53 The Collapse of a Crane on Site: A Case Study

Authors: T. Teruzzi, S. Antonietti, C. Mosca, C. Paglia

Abstract:

This paper discusses the causes of the structural failure in a tower crane. The structural collapse occurred at the upper joints of the extension element used to increase the height of the crane. The extension element consists of a steel lattice structure made with angular profiles and plates joined to the tower element by arc welding. Macroscopic inspection of the sections showed that the break was always observed on the angular profiles at the weld bead edge. The case study shows how, using mechanical characterization, chemical analysis of the steel and macroscopic and microscopic metallographic examinations, it was possible to obtain significant evidence that identified the mechanism causing the breakage. The analyses identified the causes of the structural failure as the use of materials that were not suitable for welding and poor performance in the welding joints.

Keywords: Failure, weld, microstructure, microcracks.

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52 Analysis of Medical Data using Data Mining and Formal Concept Analysis

Authors: Anamika Gupta, Naveen Kumar, Vasudha Bhatnagar

Abstract:

This paper focuses on analyzing medical diagnostic data using classification rules in data mining and context reduction in formal concept analysis. It helps in finding redundancies among the various medical examination tests used in diagnosis of a disease. Classification rules have been derived from positive and negative association rules using the Concept lattice structure of the Formal Concept Analysis. Context reduction technique given in Formal Concept Analysis along with classification rules has been used to find redundancies among the various medical examination tests. Also it finds out whether expensive medical tests can be replaced by some cheaper tests.

Keywords: Data Mining, Formal Concept Analysis, Medical Data, Negative Classification Rules.

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51 Comprehensive Nonlinearity Simulation of Different Types and Modes of HEMTs with Respect to Biasing Conditions

Authors: M. M. Karkhanehchi, A. Ammani

Abstract:

A simple analytical model has been developed to optimize biasing conditions for obtaining maximum linearity among lattice-matched, pseudomorphic and metamorphic HEMT types as well as enhancement and depletion HEMT modes. A nonlinear current-voltage model has been simulated based on extracted data to study and select the most appropriate type and mode of HEMT in terms of a given gate-source biasing voltage within the device so as to employ the circuit for the highest possible output current or voltage linear swing. Simulation results can be used as a basis for the selection of optimum gate-source biasing voltage for a given type and mode of HEMT with regard to a circuit design. The consequences can also be a criterion for choosing the optimum type or mode of HEMT for a predetermined biasing condition.

Keywords: Biasing, characteristic, linearity, simulation.

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50 The Incorporation of In in GaAsN as a Means of N Fraction Calibration

Authors: H. Hashim, B. F. Usher

Abstract:

InGaAsN and GaAsN epitaxial layers with similar nitrogen compositions in a sample were successfully grown on a GaAs (001) substrate by solid source molecular beam epitaxy. An electron cyclotron resonance nitrogen plasma source has been used to generate atomic nitrogen during the growth of the nitride layers. The indium composition changed from sample to sample to give compressive and tensile strained InGaAsN layers. Layer characteristics have been assessed by high-resolution x-ray diffraction to determine the relationship between the lattice constant of the GaAs1-yNy layer and the fraction x of In. The objective was to determine the In fraction x in an InxGa1-xAs1-yNy epitaxial layer which exactly cancels the strain present in a GaAs1-yNy epitaxial layer with the same nitrogen content when grown on a GaAs substrate.

Keywords: Indium, molecular beam epitaxy, nitrogen, straincancellation.

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49 Numerical Simulation of Convection Heat Transfer in a Lid-Driven Cavity with an Open Side

Authors: M.Jafari, M.Farhadi, K.sedighi, E.Fattahi

Abstract:

In this manuscript, the LBM is applied for simulating of Mixed Convection in a Lid-Driven cavity with an open side. The cavity horizontal walls are insulated while the west Lid-driven wall is maintained at a uniform temperature higher than the ambient. Prandtl number (Pr) is fixed to 0.71 (air) while Reynolds number (Re) , Richardson number (Ri) and aspect ratio (A) of the cavity are changed in the range of 50-150 , of 0.1-10 and of 1-4 , respectively. The numerical code is validated for the standard square cavity, and then the results of an open ended cavity are presented. Result shows by increasing of aspect ratio, the average Nusselt number (Nu) on lid- driven wall decreases and with same Reynolds number (Re) by increasing of aspect ratio (A), Richardson number plays more important role in heat transfer rate.

Keywords: Lattice Boltzmann Method, Open ended cavity, Mixed convection, Lid-driven cavity.

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48 Adhesion Performance According to Lateral Reinforcement Method of Textile

Authors: Jungbhin You, Taekyun Kim, Jongho Park, Sungnam Hong, Sun-Kyu Park

Abstract:

Reinforced concrete has been mainly used in construction field because of excellent durability. However, it may lead to reduction of durability and safety due to corrosion of reinforcement steels according to damage of concrete surface. Recently, research of textile is ongoing to complement weakness of reinforced concrete. In previous research, only experiment of longitudinal length were performed. Therefore, in order to investigate the adhesion performance according to the lattice shape and the embedded length, the pull-out test was performed on the roving with parameter of the number of lateral reinforcement, the lateral reinforcement length and the lateral reinforcement spacing. As a result, the number of lateral reinforcement and the lateral reinforcement length did not significantly affect the load variation depending on the adhesion performance, and only the load analysis results according to the reinforcement spacing are affected.

Keywords: Adhesion performance, lateral reinforcement, pull-out test, textile.

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47 A Prediction Method for Large-Size Event Occurrences in the Sandpile Model

Authors: S. Channgam, A. Sae-Tang, T. Termsaithong

Abstract:

In this research, the occurrences of large size events in various system sizes of the Bak-Tang-Wiesenfeld sandpile model are considered. The system sizes (square lattice) of model considered here are 25×25, 50×50, 75×75 and 100×100. The cross-correlation between the ratio of sites containing 3 grain time series and the large size event time series for these 4 system sizes are also analyzed. Moreover, a prediction method of the large-size event for the 50×50 system size is also introduced. Lastly, it can be shown that this prediction method provides a slightly higher efficiency than random predictions.

Keywords: Bak-Tang-Wiesenfeld sandpile model, avalanches, cross-correlation, prediction method.

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46 Evaluation and Preparation of Crystal Modifications of Artesunate: In vivo Studies

Authors: S. Gupta, R. Chadha

Abstract:

Five crystal modifications of water insoluble artesunate were generated by recrystallizing it from various solvents with improved physicochemical properties. These generated crystal forms were characterized to select the most potent and soluble form. SEM of all the forms showed changes in external shape leading them to be different morphologically. DSC thermograms of Form III and Form V showed broad endotherm peaks at 83.04oC and 76.96oC prior to melting fusion of drug respectively. Calculated weight loss in TGA revealed that Form III and Form V are methanol and acetone solvates respectively. However, few additional peaks were appeared in XRPD pattern in these two solvate forms. All forms exhibit exothermic behavior in buffer and two solvates display maximum ease of molecular release from the lattice. Methanol and acetone solvates were found to be most soluble forms and exhibited higher antimalarial efficacy showing higher survival rate (83.3%) after 30 days.

Keywords: Artesunate, Crystal modifications, in vivo studies, Recrystallization.

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45 A Fast, Portable Computational Framework for Aerodynamic Simulations

Authors: Mehdi Ghommem, Daniel Garcia, Nathan Collier, Victor Calo

Abstract:

We develop a fast, user-friendly implementation of a potential flow solver based on the unsteady vortex lattice method (UVLM). The computational framework uses the Python programming language which has easy integration with the scripts requiring computationally-expensive operations written in Fortran. The mixed-language approach enables high performance in terms of solution time and high flexibility in terms of easiness of code adaptation to different system configurations and applications. This computational tool is intended to predict the unsteady aerodynamic behavior of multiple moving bodies (e.g., flapping wings, rotating blades, suspension bridges...) subject to an incoming air. We simulate different aerodynamic problems to validate and illustrate the usefulness and effectiveness of the developed computational tool.

Keywords: Unsteady aerodynamics, numerical simulations, mixed-language approach, potential flow.

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44 New Hybrid Method to Correct for Wind Tunnel Wall- and Support Interference On-line

Authors: B. J. C. Horsten, L. L. M. Veldhuis

Abstract:

Because support interference corrections are not properly understood, engineers mostly rely on expensive dummy measurements or CFD calculations. This paper presents a method based on uncorrected wind tunnel measurements and fast calculation techniques (it is a hybrid method) to calculate wall interference, support interference and residual interference (when e.g. a support member closely approaches the wind tunnel walls) for any type of wind tunnel and support configuration. The method provides with a simple formula for the calculation of the interference gradient. This gradient is based on the uncorrected measurements and a successive calculation of the slopes of the interference-free aerodynamic coefficients. For the latter purpose a new vortex-lattice routine is developed that corrects the slopes for viscous effects. A test case of a measurement on a wing proves the value of this hybrid method as trends and orders of magnitudes of the interference are correctly determined.

Keywords: Hybrid method, support interference, wall interference, wind tunnel corrections.

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43 An Experimental Study of Structural, Optical and Magnetic Properties of Lithium Ferrite

Authors: S. Malathi, P. Seenuvasakumaran

Abstract:

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.

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42 Numerical Simulation of Convective Heat Transfer and Fluid Flow through Porous Media with Different Moving and Heated Walls

Authors: Laith Jaafer Habeeb

Abstract:

The present study is concerned with the free convective two dimensional flow and heat transfer, within the framework of Boussinesq approximation, in anisotropic fluid filled porous rectangular enclosure subjected to end-to-end temperature difference have been investigated using Lattice Boltzmann method fornon-Darcy flow model. Effects of the moving lid direction (top, bottom, left, and right wall moving in the negative and positive x&ydirections), number of moving walls (one or two opposite walls), the sliding wall velocity, and four different constant temperatures opposite walls cases (two surfaces are being insulated and the twoother surfaces areimposed to be at constant hot and cold temperature)have been conducted. The results obtained are discussed in terms of the Nusselt number, vectors, contours, and isotherms.

Keywords: Numerical simulation, lid-driven cavity flow, saturated porous medium, different velocity and heated walls.

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41 Discrete Polynomial Moments and Savitzky-Golay Smoothing

Authors: Paul O'Leary, Matthew Harker

Abstract:

This paper presents unified theory for local (Savitzky- Golay) and global polynomial smoothing. The algebraic framework can represent any polynomial approximation and is seamless from low degree local, to high degree global approximations. The representation of the smoothing operator as a projection onto orthonormal basis functions enables the computation of: the covariance matrix for noise propagation through the filter; the noise gain and; the frequency response of the polynomial filters. A virtually perfect Gram polynomial basis is synthesized, whereby polynomials of degree d = 1000 can be synthesized without significant errors. The perfect basis ensures that the filters are strictly polynomial preserving. Given n points and a support length ls = 2m + 1 then the smoothing operator is strictly linear phase for the points xi, i = m+1. . . n-m. The method is demonstrated on geometric surfaces data lying on an invariant 2D lattice.

Keywords: Gram polynomials, Savitzky-Golay Smoothing, Discrete Polynomial Moments

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40 Yang-Lee Edge Singularity of the Infinite-Range Ising Model

Authors: Seung-Yeon Kim

Abstract:

The Ising ferromagnet, consisting of magnetic spins, is the simplest system showing phase transitions and critical phenomena at finite temperatures. The Ising ferromagnet has played a central role in our understanding of phase transitions and critical phenomena. Also, the Ising ferromagnet explains the gas-liquid phase transitions accurately. In particular, the Ising ferromagnet in a nonzero magnetic field has been one of the most intriguing and outstanding unsolved problems. We study analytically the partition function zeros in the complex magnetic-field plane and the Yang-Lee edge singularity of the infinite-range Ising ferromagnet in an external magnetic field. In addition, we compare the Yang-Lee edge singularity of the infinite-range Ising ferromagnet with that of the square-lattice Ising ferromagnet in an external magnetic field.

Keywords: Ising ferromagnet, Magnetic field, Partition function zeros, Yang-Lee edge singularity.

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39 First Principles Study of Structural and Elastic Properties of BaWO4 Scheelite Phase Structure under Pressure

Authors: A. Benmakhlouf, A. Bentabet

Abstract:

In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.

Keywords: Pseudo-potential method, pressure, structural and elastic properties, scheelite BaWO4 phase.

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38 Study of Photonic Crystal Band Gap and Hexagonal Microcavity Based on Elliptical Shaped Holes

Authors: A. Benmerkhi, A. Bounouioua, M. Bouchemat, T. Bouchemat

Abstract:

In this paper, we present a numerical optical properties of a triangular periodic lattice of elliptical air holes. We report the influence of the ratio (semi-major axis length of elliptical hole to the filling ratio) on the photonic band gap. Then by using the finite difference time domain (FDTD) algorithm, the resonant wavelength of the point defect microcavities in a two-dimensional photonic crystal (PC) shifts towards the low wavelengths with significantly increased filing ratio. It can be noted that the Q factor is gradually changed to higher when the filling ratio increases. It is due to an increase in reflectivity of the PC mirror. Also we theoretically investigate the H1 cavity, where the value of semi-major axis (Rx) of the six holes surrounding the cavity are fixed at 0.5a and the Rx of the two edge air holes are fixed at the optimum value of 0.52a. The highest Q factor of 4.1359 × 106 is achieved at the resonant mode located at λ = 1.4970 µm.

Keywords: Photonic crystal, microcavity, filling ratio, elliptical holes.

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37 Silver Nanoparticles-Enhanced Luminescence Spectra of Silicon Nanocrystals

Authors: Khamael M. Abualnaja, Lidija Šiller, Benjamin R. Horrocks

Abstract:

Metal-enhanced Luminescence of silicon nanocrystals (SiNCs) was determined using two different particle sizes of silver nanoparticles (AgNPs). SiNCs have been characterized by scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). It is found that the SiNCs are crystalline with an average diameter of 65 nm and FCC lattice. AgNPs were synthesized using photochemical reduction of AgNO3 with sodium dodecyl sulphate (SDS). The enhanced luminescence of SiNCs by AgNPs was evaluated by confocal Raman microspectroscopy. Enhancement up to x9 and x3 times were observed for SiNCs that mixed with AgNPs which have an average particle size of 100 nm and 30 nm, respectively. Silver NPs-enhanced luminescence of SiNCs occurs as a result of the coupling between the excitation laser light and the plasmon bands of AgNPs; thus this intense field at AgNPs surface couples strongly to SiNCs.

Keywords: Luminescence, Silicon Nanocrystals, Silver Nanoparticles, Surface Enhanced Raman Spectroscopy (SERS).

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36 Durability Enhancement of CaSO4 in Repetitive Operation of Chemical Heat Pump

Authors: Y. Shiren, M. Masuzawa, H. Ohkura, T. Yamagata, Y. Aman, N. Kobayashi

Abstract:

An important problem for the CaSO4/CaSO4・1/2H2O Chemical heat pump (CHP) is that the material is deactivated through repetitive reaction between hydration and dehydration in which the crystal phase of the material is transformed from III-CaSO4 to II-CaSO4. We investigated suppression on the phase change by adding a sulfated compound. The most effective material was MgSO4. MgSO4 doping increased the durability of CaSO4 in the actual CHP repetitive cycle of hydration/dehydration to 3.6 times that of undoped CaSO4. The MgSO4-doped CaSO4 showed a higher phase transition temperature and activation energy for crystal transformation from III-CaSO4 to II-CaSO4. MgSO4 doping decreased the crystal lattice size of CaSO4・1/2H2O and II-CaSO4 to smaller than that of undoped CaSO4. Modification of the crystal structure is considered to be related to the durability change in CaSO4 resulting from MgSO4 doping.

Keywords: CaSO4, chemical heat pump, durability of chemical heat storage material, heat storage.

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35 Unsteady 3D Post-Stall Aerodynamics Accounting for Effective Loss in Camber Due to Flow Separation

Authors: Aritras Roy, Rinku Mukherjee

Abstract:

The current study couples a quasi-steady Vortex Lattice Method and a camber correcting technique, ‘Decambering’ for unsteady post-stall flow prediction. The wake is force-free and discrete such that the wake lattices move with the free-stream once shed from the wing. It is observed that the time-averaged unsteady coefficient of lift sees a relative drop at post-stall angles of attack in comparison to its steady counterpart for some angles of attack. Multiple solutions occur at post-stall and three different algorithms to choose solutions in these regimes show both unsteadiness and non-convergence of the iterations. The distribution of coefficient of lift on the wing span also shows sawtooth. Distribution of vorticity changes both along span and in the direction of the free-stream as the wake develops over time with distinct roll-up, which increases with time.

Keywords: Post-stall, unsteady, wing, aerodynamics.

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34 Li4SiO4 Prepared by Sol-gel Method as Potential Host for LISICON Structured Solid Electrolytes

Authors: Syed Bahari Ramadzan Syed Adnan, Nor Sabirin Mohamed, Norwati K.A

Abstract:

In this study, Li4SiO4 powder was successfully synthesized via sol gel method followed by drying at 150oC. Lithium oxide, Li2O and silicon oxide, SiO2 were used as the starting materials with citric acid as the chelating agent. The obtained powder was then sintered at various temperatures. Crystallographic phase analysis, morphology and ionic conductivity were investigated systematically employing X-ray diffraction, Fourier Transform Infrared, Scanning Electron Microscopy and AC impedance spectroscopy. XRD result showed the formation of pure monoclinic Li4SiO4 crystal structure with lattice parameters a = 5.140 Å, b = 6.094 Å, c = 5.293 Å, β = 90o in the sample sintered at 750oC. This observation was confirmed by FTIR analysis. The bulk conductivity of this sample at room temperature was 3.35 × 10-6 S cm-1 and the highest bulk conductivity of 1.16 × 10-4 S cm-1 was obtained at 100°C. The results indicated that, the Li4SiO4 compound has potential to be used as host for LISICON structured solid electrolyte for low temperature application.

Keywords: Conductivity, LISICON, Li4SiO4, Solid electrolyte, Structure.

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33 Adsorptive Removal of Vapors of Toxic Sulfur Compounds using Activated Carbons

Authors: Meenakshi Goyal, Rashmi Dhawan

Abstract:

Adsorption of CS2 vapors has been studied on different types of activated carbons obtained from different source raw materials. The activated carbons have different surface areas and are associated with varying amounts of the carbon-oxygen surface groups. The adsorption of CS2 vapors is not directly related to surface area, but is considerably influenced by the presence of carbonoxygen surface groups. The adsorption decreases on increasing the amount of carbon-oxygen surface groups on oxidation and increases when these surface groups are eliminated on degassing. The adsorption is maximum in case of the 950°-degassed carbon sample which is almost completely free of any associated oxygen. The kinetic data as analysed by Empirical diffusion model and Linear driving force mass transfer model indicate that the adsorption does not involve Fickian diffusion but may be considered as a pseudo first order mass transfer process. The activation energy of adsorption and isosteric enthalpies of adsorption indicate that the adsorption does not involve interaction between CS2 and carbon-oxygen surface groups, but hydrophobic interactions between CS2 and C-C atoms in the carbon lattice.

Keywords: Adsorption, surface groups, adsorption kinetics, isosteric enthalpy of adsorption.

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32 The Layered Transition Metal Dichalcogenides as Materials for Storage Clean Energy: Ab initio Investigations

Authors: S. Meziane, H. I. Faraoun, C. Esling

Abstract:

Transition metal dichalcogenides have potential applications in power generation devices that convert waste heat into electric current by the so-called Seebeck and Hall effects thus providing an alternative energy technology to reduce the dependence on traditional fossil fuels. In this study, the thermoelectric properties of 1T and 2HTaX2 (X= S or Se) dichalcogenide superconductors have been computed using the semi-classical Boltzmann theory. Technologically, the task is to fabricate suitable materials with high efficiency. It is found that 2HTaS2 possesses the largest value of figure of merit ZT= 1.27 at 175 K. From a scientific point of view, we aim to model the underlying materials properties and in particular the transport phenomena as mediated by electrons and lattice vibrations responsible for superconductivity, Charge Density Waves (CDW) and metal/insulator transitions as function of temperature. The goal of the present work is to develop an understanding of the superconductivity of these selected materials using the transport properties at the fundamental level.

Keywords: Ab initio, high efficiency, power generation devices, transition metal dichalcogenides.

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31 Modeling the Symptom-Disease Relationship by Using Rough Set Theory and Formal Concept Analysis

Authors: Mert Bal, Hayri Sever, Oya Kalıpsız

Abstract:

Medical Decision Support Systems (MDSSs) are sophisticated, intelligent systems that can provide inference due to lack of information and uncertainty. In such systems, to model the uncertainty various soft computing methods such as Bayesian networks, rough sets, artificial neural networks, fuzzy logic, inductive logic programming and genetic algorithms and hybrid methods that formed from the combination of the few mentioned methods are used. In this study, symptom-disease relationships are presented by a framework which is modeled with a formal concept analysis and theory, as diseases, objects and attributes of symptoms. After a concept lattice is formed, Bayes theorem can be used to determine the relationships between attributes and objects. A discernibility relation that forms the base of the rough sets can be applied to attribute data sets in order to reduce attributes and decrease the complexity of computation.

Keywords: Formal Concept Analysis, Rough Set Theory, Granular Computing, Medical Decision Support System.

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30 An Infrared Investigation on Surface Species over Iron-Based Catalysts: Implications for Oxygenates Formation

Authors: Wanyu Mao, Hongfang Ma, Haitao Zhang, WeixinQian, Weiyong Ying

Abstract:

The nature of adsorbed species on catalytic surface over an industrial precipitated iron-based high temperature catalyst during FTS was investigated by in-situ DRIFTS and chemical trapping. The formulation of the mechanism of oxygenates formation and key intermediates were also discussed. Numerous oxygenated precursors and crucial intermediates were found by in-situ DRIFTS, such as surface acetate, acetyl and methoxide. The results showed that adsorbed molecules on surface such as methanol or acetaldehyde could react with basic sites such as lattice oxygen or free surface hydroxyls. Adsorbed molecules also had reactivity of oxidizing. Moreover, acetyl as a key intermediate for oxygenates was observed by investigation of CH3OH + CO and CH3I + CO + H2. Based on the nature of surface properties, the mechanism of oxygenates formation on precipitated iron-based high temperature catalyst was discussed.

Keywords: Iron-based catalysts, intermediates, oxygenates, in-situ DRIFTS, chemical trapping.

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29 An Examination and Validation of the Theoretical Resistivity-Temperature Relationship for Conductors

Authors: Fred Lacy

Abstract:

Electrical resistivity is a fundamental parameter of metals or electrical conductors. Since resistivity is a function of temperature, in order to completely understand the behavior of metals, a temperature dependent theoretical model is needed. A model based on physics principles has recently been developed to obtain an equation that relates electrical resistivity to temperature. This equation is dependent upon a parameter associated with the electron travel time before being scattered, and a parameter that relates the energy of the atoms and their separation distance. Analysis of the energy parameter reveals that the equation is optimized if the proportionality term in the equation is not constant but varies over the temperature range. Additional analysis reveals that the theoretical equation can be used to determine the mean free path of conduction electrons, the number of defects in the atomic lattice, and the ‘equivalent’ charge associated with the metallic bonding of the atoms. All of this analysis provides validation for the theoretical model and provides insight into the behavior of metals where performance is affected by temperatures (e.g., integrated circuits and temperature sensors).

Keywords: Callendar–van Dusen, conductivity, mean free path, resistance temperature detector, temperature sensor.

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28 A High-Resolution Refractive Index Sensor Based on a Magnetic Photonic Crystal

Authors: Ti-An Tsai, Chun-Chih Wang, Hung-Wen Wang, I-Ling Chang, Lien-Wen Chen

Abstract:

In this study, we demonstrate a high-resolution refractive index sensor based on a Magnetic Photonic Crystal (MPC) composed of a triangular lattice array of air holes embedded in Si matrix. A microcavity is created by changing the radius of an air hole in the middle of the photonic crystal. The cavity filled with gyrotropic materials can serve as a refractive index sensor. The shift of the resonant frequency of the sensor is obtained numerically using finite difference time domain method under different ambient conditions having refractive index from n = 1.0 to n = 1.1. The numerical results show that a tiny change in refractive index of  Δn = 0.0001 is distinguishable. In addition, the spectral response of the MPC sensor is studied while an external magnetic field is present. The results show that the MPC sensor exhibits a dramatic improvement in resolution.

Keywords: Magnetic photonic crystal, refractive index sensor, sensitivity, high-resolution.

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