Search results for: x-ray crystal structures
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4749

Search results for: x-ray crystal structures

4449 Modeling of Anode Catalyst against CO in Fuel Cell Using Material Informatics

Authors: M. Khorshed Alam, H. Takaba

Abstract:

The catalytic properties of metal usually change by intermixturing with another metal in polymer electrolyte fuel cells. Pt-Ru alloy is one of the much-talked used alloy to enhance the CO oxidation. In this work, we have investigated the CO coverage on the Pt2Ru3 nanoparticle with different atomic conformation of Pt and Ru using a combination of material informatics with computational chemistry. Density functional theory (DFT) calculations used to describe the adsorption strength of CO and H with different conformation of Pt Ru ratio in the Pt2Ru3 slab surface. Then through the Monte Carlo (MC) simulations we examined the segregation behaviour of Pt as a function of surface atom ratio, subsurface atom ratio, particle size of the Pt2Ru3 nanoparticle. We have constructed a regression equation so as to reproduce the results of DFT only from the structural descriptors. Descriptors were selected for the regression equation; xa-b indicates the number of bonds between targeted atom a and neighboring atom b in the same layer (a,b = Pt or Ru). Terms of xa-H2 and xa-CO represent the number of atoms a binding H2 and CO molecules, respectively. xa-S is the number of atom a on the surface. xa-b- is the number of bonds between atom a and neighboring atom b located outside the layer. The surface segregation in the alloying nanoparticles is influenced by their component elements, composition, crystal lattice, shape, size, nature of the adsorbents and its pressure, temperature etc. Simulations were performed on different size (2.0 nm, 3.0 nm) of nanoparticle that were mixing of Pt and Ru atoms in different conformation considering of temperature range 333K. In addition to the Pt2Ru3 alloy we also considered pure Pt and Ru nanoparticle to make comparison of surface coverage by adsorbates (H2, CO). Hence, we assumed the pure and Pt-Ru alloy nanoparticles have an fcc crystal structures as well as a cubo-octahedron shape, which is bounded by (111) and (100) facets. Simulations were performed up to 50 million MC steps. From the results of MC, in the presence of gases (H2, CO), the surfaces are occupied by the gas molecules. In the equilibrium structure the coverage of H and CO as a function of the nature of surface atoms. In the initial structure, the Pt/Ru ratios on the surfaces for different cluster sizes were in range of 0.50 - 0.95. MC simulation was employed when the partial pressure of H2 (PH2) and CO (PCO) were 70 kPa and 100-500 ppm, respectively. The Pt/Ru ratios decrease as the increase in the CO concentration, without little exception only for small nanoparticle. The adsorption strength of CO on the Ru site is higher than the Pt site that would be one of the reason for decreasing the Pt/Ru ratio on the surface. Therefore, our study identifies that controlling the nanoparticle size, composition, conformation of alloying atoms, concentration and chemical potential of adsorbates have impact on the steadiness of nanoparticle alloys which ultimately and also overall catalytic performance during the operations.

Keywords: anode catalysts, fuel cells, material informatics, Monte Carlo

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4448 Screening Methodology for Seismic Risk Assessment of Aging Structures in Oil and Gas Plants

Authors: Mohammad Nazri Mustafa, Pedram Hatami Abdullah, M. Fakhrur Razi Ahmad Faizul

Abstract:

With the issuance of Malaysian National Annex 2017 as a part of MS EN 1998-1:2015, the seismic mapping of Malaysian Peninsular including Sabah and Sarawak has undergone some changes in terms of the Peak Ground Acceleration (PGA) value. The revision to the PGA has raised a concern on the safety of oil and gas onshore structures as these structures were not designed to accommodate the new PGA values which are much higher than the previous values used in the original design. In view of the high numbers of structures and buildings to be re-assessed, a risk assessment methodology has been developed to prioritize and rank the assets in terms of their criticality against the new seismic loading. To-date such risk assessment method for oil and gas onshore structures is lacking, and it is the main intention of this technical paper to share the risk assessment methodology and risk elements scoring finalized via Delphi Method. The finalized methodology and the values used to rank the risk elements have been established based on years of relevant experience on the subject matter and based on a series of rigorous discussions with professionals in the industry. The risk scoring is mapped against the risk matrix (i.e., the LOF versus COF) and hence, the overall risk for the assets can be obtained. The overall risk can be used to prioritize and optimize integrity assessment, repair and strengthening work against the new seismic mapping of the country.

Keywords: methodology, PGA, risk, seismic

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4447 Earthquake Retrofitting of Concrete Structures Using Steel Bracing with the Results of Linear and Nonlinear Static Analysis

Authors: Ehsan Sadie

Abstract:

The use of steel braces in concrete structures has been considered by researchers in recent decades due to its easy implementation, economics and the ability to create skylights in braced openings compared to shear wall openings as well as strengthening weak concrete structures to earthquakes. The purpose of this article is to improve and strengthen concrete structures with steel bracing. In addition, cases such as different numbers of steel braces in different openings of concrete structures and interaction between concrete frames and metal braces have been studied. In this paper, by performing static nonlinear analysis and examining ductility, the relative displacement of floors, examining the performance of samples, and determining the coefficient of behavior of composite frames (concrete frames with metal bracing), the behavior of reinforced concrete frames is compared with frame without bracing. The results of analyzes and studies show that the addition of metal bracing increases the strength and stiffness of the frame and reduces the ductility and lateral displacement of the structure. In general, the behavior of the structure against earthquakes will be improved.

Keywords: behavior coefficient, bracing, concrete structure, convergent bracing, earthquake, linear static analysis, nonlinear analysis, pushover curve

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4446 Cocrystals of Etodolac: A Crystal Engineering Approach with an Endeavor to Enhance Its Biopharmaceutical Assets

Authors: Sakshi Tomar, Renu Chadha

Abstract:

Cocrystallization comprises a selective route to the intensive design of pharmaceutical products with desired physiochemical and pharmacokinetic properties. The present study is focused on the preparation, characterization, and evaluation of etodolac (ET) co-crystals with coformers nicotinamide (ETNI) and Glutaric acid (ETGA), using cocrystallization approach. Preliminarily examination of the prepared co-crystal was done by differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), powder X-ray diffraction (PXRD). DSC thermographs of ETNI and ETGA cocrystals showed single sharp melting endotherms at 144°C and 135°C, respectively, which were different from the melting of drugs and coformers. FT-IR study points towards carbonyl-acid interaction sandwiched between the involving molecules. The emergence of new peaks in the PXRD pattern confirms the formation of new crystalline solid forms. Both the cocrystals exhibited better apparent solubility, and 3.8-5.0 folds increase in IDR were established, as compared to pure etodolac. Evaluations of these solid forms were done using anti-osteoarthritic activities. All the results indicate that etodolac cocrystals possess better anti-osteoarthritic efficacy than free drug. Thus loom of cocrystallization has been found to be a viable approach to resolve the solubility and bioavailability issues that circumvent the use of potential antiosteoarthritic molecules.

Keywords: bioavailability, etodolac, nicotinamide, osteoarthritis

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4445 Structural Damage Detection Using Sensors Optimally Located

Authors: Carlos Alberto Riveros, Edwin Fabián García, Javier Enrique Rivero

Abstract:

The measured data obtained from sensors in continuous monitoring of civil structures are mainly used for modal identification and damage detection. Therefore when modal identification analysis is carried out the quality in the identification of the modes will highly influence the damage detection results. It is also widely recognized that the usefulness of the measured data used for modal identification and damage detection is significantly influenced by the number and locations of sensors. The objective of this study is the numerical implementation of two widely known optimum sensor placement methods in beam-like structures

Keywords: optimum sensor placement, structural damage detection, modal identification, beam-like structures.

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4444 Experimental and Theoretical Approach, Hirshfeld Surface, Reduced Density Gradient, Molecular Docking of a Thiourea Derivative

Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

Abstract:

A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

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4443 Influence of Slenderness Ratio on the Ductility of Reinforced Concrete Portal Structures

Authors: Kahil Amar, Nekmouche Aghiles, Titouche Billal, Hamizi Mohand, Hannachi Naceur Eddine

Abstract:

The ductility is an important parameter in the nonlinear behavior of portal structures reinforced concrete. It may be explained by the ability of the structure to deform in the plastic range, or the geometric characteristics in the map may influence the overall ductility. Our study is based on the influence of geometric slenderness (Lx / Ly) on the overall ductility of these structures, a study is made on a structure has 05 floors with varying the column section of 900 cm², 1600 cm² and 1225 cm². A slight variation in global ductility is noticed as (Lx/Ly) varies; however, column sections can control satisfactorily the plastic behavior of buildings.

Keywords: ductility, nonlinear behavior, pushover analysis, geometric slenderness, structural behavior

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4442 Modeling Thin Shell Structures by a New Flat Shell Finite Element

Authors: Djamal Hamadi, Ashraf Ayoub, Ounis Abdelhafid, Chebili Rachid

Abstract:

In this paper, a new computationally-efficient rectangular flat shell finite element named 'ACM_RSBEC' is presented. The formulated element is obtained by superposition of a new rectangular membrane element 'RSBEC' based on the strain approach and the well known plate bending element 'ACM'. This element can be used for the analysis of thin shell structures, no matter how the geometrical shape might be. Tests on standard problems have been examined. The convergence of the new formulated element is also compared to other types of quadrilateral shell elements. The presented shell element ‘ACM_RSBEC’ has been demonstrated to be effective and useful in analysing thin shell structures.

Keywords: finite element, flat shell element, strain based approach, static condensation

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4441 Viability of Slab Sliding System for Single Story Structure

Authors: C. Iihoshi, G. A. MacRae, G. W. Rodgers, J. G. Chase

Abstract:

Slab Sliding System (SSS) with Coulomb friction interface between slab and supporting frame is a passive structural vibration control technology. The system can significantly reduce the slab acceleration and accompanied lateral force of the frame. At the same time it is expected to cause the slab displacement magnification by sliding movement. To obtain the general comprehensive seismic response of a single story structure, inelastic response spectra were computed for a large ensemble of ground motions and a practical range of structural periods and friction coefficient values. It was shown that long period structures have no trade-off relation between force reduction and displacement magnification with respect to elastic response, unlike short period structures. For structures with the majority of mass in the slab, the displacement magnification value can be predicted according to simple inelastic displacement relation for in elastically responding SDOF structures because the system behaves elastically to a SDOF structure.

Keywords: earthquake, isolation, slab, sliding

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4440 Intensified Electrochemical H₂O₂ Synthesis and Highly Efficient Pollutant Removal Enabled by Nickel Oxides with Surface Engineered Facets and Vacancies

Authors: Wenjun Zhang, Thao Thi Le, Dongyup Shin, Jong Min Kim

Abstract:

Electrochemical hydrogen peroxide (H₂O₂) synthesis holds significant promise for decentralized environmental remediation through the electro-Fenton process. However, challenges persist, such as the absence of robust electrocatalysts for the selective two-electron oxygen reduction reaction (2e⁻ ORR) and the high cost and sluggish kinetics of conventional electro-Fenton systems in treating highly concentrated wastewater. This study introduces an efficient water treatment system for removing substantial quantities of organic pollutants using an advanced electro-Fenton system coupled with a high-valent NiO catalyst. By employing a precipitation method involving crystal facet and cation vacancy engineering, a trivalent Ni (Ni³⁺)-rich NiO catalyst with a (111)-domain-exposed crystal facet, named {111}-NivO, was synthesized. This catalyst exhibited a remarkable 96% selectivity and a high mass activity of 59 A g⁻¹ for H₂O₂ production, outperforming all previously reported Ni-based catalysts. Furthermore, an advanced electro-Fenton system, integrated with a flow cell for electrochemical H₂O₂ production, was utilized to achieve 100% removal of 50 ppm bisphenol A (BPA) in 200 mL of wastewater under heavy-duty conditions, reaching a superior rapid degradation rate (4 min, k = 1.125 min⁻¹), approximately 102 times faster than the conventional electro-Fenton system. The hyper-efficiency is attributed to the continuous and appropriate supply of H₂O₂, the provision of O₂, and the timely recycling of the electrolyte under high current density operation. This catalyst also demonstrated a 93% removal of total organic carbon after 2 hours of operation and can be applied for efficient removal of highly concentrated phenol pollutants from aqueous systems, which opens new avenues for wastewater treatment.

Keywords: hydrogen peroxide production, nickel oxides, crystal facet and cation vacancy engineering, wastewater treatment, flow cell, electro-Fenton

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4439 Full-Wave Analysis of Magnetic Meta-Surfaces for Microwave Component Applications

Authors: Christopher Hardly Joseph, Nicola Pelagalli, Davide Mencarelli, Luca Pierantoni

Abstract:

In this contribution, we report the electromagnetic response of a split ring resonator (SRR) based magnetic metamaterial unit cell in free space nature by means of a full-wave electromagnetic simulation. The effective parameters of these designed structures have been analyzed. The structures have been specifically designed to work at high frequency considering the development of many microwave and lower mm-wave devices. In addition to that, the application of the designed metamaterial structures is also proposed, namely metamaterial loaded planar transmission lines, potentially useful to optimize size and quality factor of circuit components and radiating elements.

Keywords: CPW, Microwave Components, Negative Permeability, Split Ring Resonator (SRR)

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4438 Syntactic Ambiguity and Syntactic Analysis: Transformational Grammar Approach

Authors: Olufemi Olupe

Abstract:

Within linguistics, various approaches have been adopted to the study of language. One of such approaches is the syntax. The syntax is an aspect of the grammar of the language which deals with how words are put together to form phrases and sentences and how such structures are interpreted in language. Ambiguity, which is also germane in this discourse is about the uncertainty of meaning as a result of the possibility of a phrase or sentence being understood and interpreted in more than one way. In the light of the above, this paper attempts a syntactic study of syntactic ambiguities in The English Language, using the Transformational Generative Grammar (TGG) Approach. In doing this, phrases and sentences were raised with each description followed by relevant analysis. Finding in the work reveals that ambiguity cannot always be disambiguated by the means of syntactic analysis alone without recourse to semantic interpretation. The further finding shows that some syntactical ambiguities structures cannot be analysed on two surface structures in spite of the fact that there are more than one deep structures. The paper concludes that in as much as ambiguity remains in language; it will continue to pose a problem of understanding to a second language learner. Users of English as a second language, must, however, make a conscious effort to avoid its usage to achieve effective communication.

Keywords: language, syntax, semantics, morphology, ambiguity

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4437 Effects of Blast Load on Historic Stone Masonry Buildings in Canada: A Review and Analytical Study

Authors: Abass Braimah, Maha Hussein Abdallah

Abstract:

The global ascendancy of terrorist attacks on building infrastructure with economic and heritage significance has increased awareness of the possibility of terrorism in Canada. Many structures in Canada that are at risk of terrorist attacks include government buildings, built many years ago of historic stone masonry construction. Although many researchers are investigating ways to retrofit masonry stone buildings to mitigate the effect of blast loadings, lack of knowledge on the dynamic behavior of historic stone masonry structures under blast loads makes it difficult to ascertain the effectiveness of the retrofitting techniques. This paper presents a review of open-source literature for the experimental and numerical stone masonry structures under blast loads. This review yielded very little information of the response of the historic stone masonry structures under blast loads. Thus, a comprehensive study is needed to understand the blast load effects on historic stone masonry buildings. The out-of-plane response of historic masonry structures to blast loads is investigated by using single-degree-of-freedom analysis. This approach presents equations that can be used effectively in the analysis of historic masonry walls to out-of-plane blast loading.

Keywords: blast loads, historical buildings, masonry structure, single-degree-of-freedom analysis

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4436 Smart Structures for Cost Effective Cultural Heritage Preservation

Authors: Tamara Trček Pečak, Andrej Mohar, Denis Trček

Abstract:

This article investigates the latest technological means, which deploy smart structures that are based on (advanced) wireless sensors technologies and ubiquitous computing in general in order to support the above mentioned decision making. Based on two years of in-field research experiences it gives their analysis for these kinds of purposes and provides appropriate architectures and architectural solutions. Moreover, the directions for future research are stated, because these technologies are currently the most promising ones to enable cost-effective preservation of cultural heritage not only in uncontrolled places, but also in general.

Keywords: smart structures, wireless sensors, sensors networks, green computing, cultural heritage preservation, monitoring, cost effectiveness

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4435 Seismic Investigation on the Effect of Surface Structures and Twin Tunnel on the Site Response in Urban Areas

Authors: Seyed Abolhasan Naeini, Saeideh Mohammadi

Abstract:

Site response has a profound effect on earthquake damages. Seismic interaction of urban tunnels with surface structures could also affect seismic site response. Here, we use FLAC 2D to investigate the interaction of a single tunnel and twin tunnels-surface structures on the site response. Soil stratification and properties are selected based on Line. No 7 of the Tehran subway. The effect of surface structure is considered in two ways: Equivalent surcharge and geometrical modeling of the structure. Comparison of the results shows that consideration of the structure geometry is vital in dynamic analysis and leads to the changes in the magnitude of displacements, accelerations and response spectrum. Therefore it is necessary for the surface structures to be wholly modeled and not just considered as a surcharge in dynamic analysis. The use of twin tunnel also leads to the reduction of dynamic residual settlement.

Keywords: superstructure, tunnel, site response, surcharge, interaction

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4434 Preparation and Characterization of Newly Developed Trabecular Structures in Titanium Alloy to Optimize Osteointegration

Authors: M. Regis, E. Marin, S. Fusi, M. Pressacco, L. Fedrizzi

Abstract:

Electron Beam Melting (EBM) process was used to prepare porous scaffolds with controlled porosity to ensure optimal levels of osteointegration for different trabeculae sizes. Morphological characterization by means of SEM analyses was carried out to assess pore dimensions; tensile, compression and adhesion tests have been carried out to determine the mechanical behavior. The results indicate that EBM process allows the creation of regular and repeatable porous scaffolds. Mechanical properties greatly depend on pore dimension and on bulk-pore ratio. Adhesion resistance meets the normative requirements, and the overall performance of the produced structures is compatible with potential orthopaedic applications.

Keywords: additive manufacturing, orthopaedic implants, osteointegration, trabecular structures

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4433 Growth and Characterization of Bis-Thiourea Nickel Barium Chloride Single Crystals

Authors: Rakesh Hajiyani, Chetan Chauhan, Harshkant Jethva, Mihir Joshi

Abstract:

Metal bis-thiourea type organo-metallic crystals are popular as non-linear optical materials. Bis-thiourea nickel barium chloride was synthesized and crystals were grown by slow aqueous solvent evaporation technique. The transparent and colorless crystals having maximum dimensions of 13 mm x 8 mm x 2.2 mm were obtained. The EDAX was carried out to estimate the content of nickel and barium in the grown crystals. The powder XRD analysis suggested orthorhombic crystal structure with unit cell parameters as: a= 9.70 Å, b= 10.68 Å and c= 17.95 Å. The FTIR spectroscopy study confirmed the presence of various functional groups. The UV-vis spectroscopy study indicated that the crystals were transparent in the visible region with 90% transmittance level further optical parameters were studied. From the TGA it was found that the crystals remained stable up to 170 0C and then decomposed through two decomposition stages. The dielectric study was carried out in the frequency range of applied field from 500 Hz to 1 MHz. The variations of dielectric constant, dielectric loss were studied with frequency. It was found that the dielectric constant and the dielectric loss decreased as the frequency of applied field increased. The results are discussed.

Keywords: crystal growth, dielectric study, optical parameters, organo-metallic crystals, powder xrd, slow evaporation technique, TGA

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4432 The Free Vibration Analysis of Honeycomb Sandwich Beam using 3D and Continuum Model

Authors: Gürkan Şakar, Fevzi Çakmak Bolat

Abstract:

In this study free vibration analysis of aluminum honeycomb sandwich structures were carried out experimentally and numerically. The natural frequencies and mode shapes of sandwich structures fabricated with different configurations for clamped-free boundary condition were determined. The effects of lower and upper face sheet thickness, the core material thickness, cell diameter, cell angle and foil thickness on the vibration characteristics were examined. The numerical studies were performed with ANSYS package. While the sandwich structures were modeled in ANSYS the continuum model was used. Later, the numerical results were compared with the experimental findings.

Keywords: sandwich structure, free vibration, numeric analysis, 3D model, continuum model

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4431 Seismic Response of Structures of Reinforced Concrete Buildings: Regular and Irregular Configurations

Authors: Abdelhammid Chibane

Abstract:

Often, for architectural reasons or designs, several buildings have a non-uniform profile in elevation. Depending on the configuration of the construction and the arrangements structural elements, the non-uniform profile in elevation (the recess) is considered concept of a combination of non-uniform distributions of strength, stiffness, weight and geometry along the height of irregular structures. Therefore, this type of configuration can induce irregular distribution load causing a serious concentration stresses at the discontinuity. This therefore requires a serious behavioral treatment buildings in an earthquake. If appropriate measures are not taken into account, structural irregularity may become a major source of damage during earthquakesEarth. In the past, several research investigations have identified differences in dynamic response of irregular and regular porches. Among the most notable differences are the increments of displacements and ductility applications in floors located above the level of the shoulder and an increase in the contribution of the higher modes cisaillement1 efforts, ..., 10. The para -ssismiques codes recommend the methods of analysis Dynamic (or modal history) to establish the forces of calculation instead of the static method equivalent, which is basically applicable only to regular structures without major discontinuities in the mass, rigidity and strength along the height 11, 12 .To investigate the effects of irregular profiles on the structures, the main objective of this study was the assessment of the inelastic response, in terms of applications of ductility four types of non-uniform multi-stage structures subjected to relatively severe earthquakes. In the This study, only the parallel responses are analyzed setback.

Keywords: buildings, concentration stresses, ductility, ductility, designs, irregular structures

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4430 Synthesis and Characterization of SnO2: Ti Thin Films Spray-Deposited on Optical Glass

Authors: Demet Tatar, Bahattin Düzgün

Abstract:

In this study, we have newly developed titanium-tin oxide (TiSnO) thin films as the transparent conducting oxides materials by the spray pyrolysis technique. Tin oxide thin films doped with different Ti content were successfully grown by spray pyrolysis and they were characterized as a function of Ti content. The effect of Ti contents on the crystalline structure and optical properties of the as-deposited SnO2:Ti films was systematically investigated by X-ray diffraction (XRD), scanning electronic microscopy (SEM), atomic force microscopy (AFM), UV-vis spectrometer and photoluminecenc spectrophotometer. The X-ray diffraction patterns taken at room temperature showed that the films are polycrystalline. The preferred directions of crystal growth appeared in the difractogram of SnO2: Ti (TiTO) films were correspond to the reflections from the (110), (200), (211) and (301) planes. The grain size varies from 21.8 to 27.8 nm for (110) preferred plane. SEM and AFM study reveals the surface of TiTO to be made of nanocrystalline particles. The highest visible transmittance (570 nm) of the deposited films is 80 % for 20 wt % titanium doped tin oxide films. The obtained results revealed that the structures and optical properties of the films were greatly affected by doping levels. These films are useful as conducting layers in electro chromic and photovoltaic devices.

Keywords: transparent conducting oxide, gas sensors, SnO2, Ti, optoelectronic, spray pyrolysis

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4429 Purification and Pre-Crystallization of Recombinant PhoR Cytoplasmic Domain Protein from Mycobacterium Tuberculosis H37Rv

Authors: Oktira Roka Aji, Maelita R. Moeis, Ihsanawati, Ernawati A. Giri-Rachman

Abstract:

Globally, tuberculosis (TB) remains a leading cause of death. The emergence of multidrug-resistant strains and extensively drug-resistant strains have become a major public concern. One of the potential candidates for drug target is the cytoplasmic domain of PhoR Histidine Kinase, a part of the Two Component System (TCS) PhoR-PhoP in Mycobacterium tuberculosis (Mtb). TCS PhoR-PhoP relay extracellular signal to control the expression of 114 virulent associated genes in Mtb. The 3D structure of PhoR cytoplasmic domain is needed to screen novel drugs using structure based drug discovery. The PhoR cytoplasmic domain from Mtb H37Rv was overexpressed in E. coli BL21(DE3), then purified using IMAC Ni-NTA Agarose his-tag affinity column and DEAE-ion exchange column chromatography. The molecular weight of the purified protein was estimated to be 37 kDa after SDS-PAGE analysis. This sample was used for pre-crystallization screening by applying sitting drop vapor diffusion method using Natrix (HR2-116) 48 solutions crystal screen kit at 25ºC. Needle-like crystals were observed after the seventh day of incubation in test solution No.47 (0.1 M KCl, 0.01 M MgCl2.6H2O, 0.05 M Tris-Cl pH 8.5, 30% v/v PEG 4000). Further testing is required for confirming the crystal.

Keywords: tuberculosis, two component system, histidine kinase, needle-like crystals

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4428 Analysis of Thermal Damage Characteristics of High Pressure Turbine Blade According to Off-Design Operating Conditions

Authors: Seon Ho Kim, Minho Bang, Seok Min Choi, Young Moon Lee, Dong Kwan Kim, Hyung Hee Cho

Abstract:

Gas turbines are heat engines that convert chemical energy into electrical energy through mechanical energy. Since their high energy density per unit volume and low pollutant emissions, gas turbines are classified as clean energy. In order to obtain better performance, the turbine inlet temperature of the current gas turbine is operated at about 1600℃, and thermal damage is a very serious problem. Especially, these thermal damages are more prominent in off-design conditions than in design conditions. In this study, the thermal damage characteristics of high temperature components of a gas turbine made of a single crystal material are studied numerically for the off-design operating conditions. The target gas turbine is configured as a reheat cycle and is operated in peak load operation mode, not normal operation. In particular, the target gas turbine features a lot of low-load operation. In this study, a commercial code, ANSYS 18.2, was used for analyzing the thermal-flow coupling problems. As a result, the flow separation phenomenon on the pressure side due to the flow reduction was remarkable at the off-design condition, and the high heat transfer coefficient at the upper end of the suction surface due to the tip leakage flow was appeared.

Keywords: gas turbine, single crystal blade, off-design, thermal analysis

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4427 Nazca: A Context-Based Matching Method for Searching Heterogeneous Structures

Authors: Karine B. de Oliveira, Carina F. Dorneles

Abstract:

The structure level matching is the problem of combining elements of a structure, which can be represented as entities, classes, XML elements, web forms, and so on. This is a challenge due to large number of distinct representations of semantically similar structures. This paper describes a structure-based matching method applied to search for different representations in data sources, considering the similarity between elements of two structures and the data source context. Using real data sources, we have conducted an experimental study comparing our approach with our baseline implementation and with another important schema matching approach. We demonstrate that our proposal reaches higher precision than the baseline.

Keywords: context, data source, index, matching, search, similarity, structure

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4426 Applicability of Soybean as Bio-Catalyst in Calcite Precipitated Method for Soil Improvement

Authors: Heriansyah Putra, Erizal Erizal, Sutoyo Sutoyo, Hideaki Yasuhara

Abstract:

This paper discusses the possibility of organic waste material, i.e., soybean, as the bio-catalyst agent on the calcite precipitation method. Several combinations of soybean powder and jack bean extract are used as the bio-catalyst and mixed with the reagent composed of calcium chloride and urea. Its productivity in promoting calcite crystal is evaluated through a transparent test-tube experiment. The morphological and mineralogical aspects of precipitated calcite are also investigated using scanning electromagnetic (SEM) and X-ray diffraction (XRD), respectively. The applicability of this material to improve the engineering properties of soil are examined using the direct shear and unconfined compressive test. The result of this study shows that the utilization of soybean powder brings about a significant effect on soil strength. In addition, the use of soybean powder as a substitution material of urease enzyme also increases the efficacy of calcite crystal as the binder materials. The low calcite content promotes the high strength of the soil. The strength of 300 kPa is obtained in the presence of 2% of calcite content within the soil. The result of this study elucidated that substitution of soybean to jack bean extract is the potential and valuable alternative to improve the applicability of calcite precipitation method as soil improvement technique.

Keywords: calcite precipitation, jack bean, soil improvement, soybean

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4425 Reinforcement of an Electric Vehicle Battery Pack Using Honeycomb Structures

Authors: Brandon To, Yong S. Park

Abstract:

As more battery electric vehicles are being introduced into the automobile industry, continuous advancements are constantly made in the electric vehicle space. Improvements in lithium-ion battery technology allow electric vehicles to be capable of traveling long distances. The batteries are capable of being charged faster, allowing for a sufficient range in shorter amounts of time. With increased reliance on battery technology and the changes in vehicle power trains, new challenges arise from this. Resulting electric vehicle fires caused by collisions are potentially more dangerous than those of the typical internal combustion engine. To further reduce the battery failures involved with side collisions, this project intends to reinforce an existing battery pack of an electric vehicle with honeycomb structures such that intrusion into the batteries can be minimized with weight restrictions in place. Honeycomb structures of hexagonal geometry are implemented into the side extrusions of the battery pack. With the use of explicit dynamics simulations performed in ANSYS, quantitative results such as deformation, strain, and stress are used to compare the performance of the battery pack with and without the implemented honeycomb structures.

Keywords: battery pack, electric vehicle, honeycomb, side impact

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4424 Application of Shore Protective Structures in Optimum Land Using of Defense Sites Located in Coastal Cities

Authors: Mir Ahmad Lashteh Neshaei, Hamed Afsoos Biria, Ata Ghabraei, Mir Abdolhamid Mehrdad

Abstract:

Awareness of effective land using issues in coastal area including protection of natural ecosystems and coastal environment due to the increasing of human life along the coast is of great importance. There are numerous valuable structures and heritages which are located in defence sites and waterfront area. Marine structures such as groins, sea walls and detached breakwaters are constructed in coast to improve the coast stability against bed erosion due to changing wave and climate pattern. Marine mechanisms and interaction with the shore protection structures need to be intensively studied. Groins are one of the most prominent structures that are used in shore protection to create a safe environment for coastal area by maintaining the land against progressive coastal erosion. The main structural function of a groin is to control the long shore current and littoral sediment transport. This structure can be submerged and provide the necessary beach protection without negative environmental impact. However, for submerged structures adopted for beach protection, the shoreline response to these structures is not well understood at present. Nowadays, modelling and computer simulation are used to assess beach morphology in the vicinity of marine structures to reduce their environmental impact. The objective of this study is to predict the beach morphology in the vicinity of submerged groins and comparison with non-submerged groins with focus on a part of the coast located in Dahane sar Sefidrood, Guilan province, Iran where serious coast erosion has occurred recently. The simulations were obtained using a one-line model which can be used as a first approximation of shoreline prediction in the vicinity of groins. The results of the proposed model are compared with field measurements to determine the shape of the coast. Finally, the results of the present study show that using submerged groins can have a good efficiency to control the beach erosion without causing severe environmental impact to the coast. The important outcome from this study can be employed in optimum designing of defence sites in the coastal cities to improve their efficiency in terms of re-using the heritage lands.

Keywords: submerged structures, groin, shore protective structures, coastal cities

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4423 Service Life Prediction of Tunnel Structures Subjected to Water Seepage

Authors: Hassan Baji, Chun-Qing Li, Wei Yang

Abstract:

Water seepage is one of the most common causes of damage in tunnel structures, which can cause direct and indirect e.g. reinforcement corrosion and calcium leaching damages. Estimation of water seepage or inflow is one of the main challenges in probabilistic assessment of tunnels. The methodology proposed in this study is an attempt for mathematically modeling the water seepage in tunnel structures and further predicting its service life. Using the time-dependent reliability, water seepage is formulated as a failure mode, which can be used for prediction of service life. Application of the formulated seepage failure mode to a case study tunnel is presented.

Keywords: water seepage, tunnels, time-dependent reliability, service life

Procedia PDF Downloads 483
4422 Seismic Performance Point of RC Frame Buildings Using ATC-40, FEMA 356 and FEMA 440 Guidelines

Authors: Gram Y. Rivas Sanchez

Abstract:

The seismic design codes in the world allow the analysis of structures considering an elastic-linear behavior; however, against earthquakes, the structures exhibit non-linear behaviors that induce damage to their elements. For this reason, it is necessary to use non-linear methods to analyze these structures, being the dynamic methods that provide more reliable results but require a lot of computational costs; on the other hand, non-linear static methods do not have this disadvantage and are being used more and more. In the present work, the nonlinear static analysis (pushover) of RC frame buildings of three, five, and seven stories is carried out considering models of concentrated plasticity using plastic hinges; and the seismic performance points are determined using ATC-40, FEMA 356, and FEMA 440 guidelines. Using this last standard, the highest inelastic displacements and basal shears are obtained, providing designs that are more conservative.

Keywords: pushover, nonlinear, RC building, FEMA 440, ATC 40

Procedia PDF Downloads 146
4421 Experimental Studies of Sigma Thin-Walled Beams Strengthen by CFRP Tapes

Authors: Katarzyna Rzeszut, Ilona Szewczak

Abstract:

The review of selected methods of strengthening of steel structures with carbon fiber reinforced polymer (CFRP) tapes and the analysis of influence of composite materials on the steel thin-walled elements are performed in this paper. The study is also focused to the problem of applying fast and effective strengthening methods of the steel structures made of thin-walled profiles. It is worth noting that the issue of strengthening the thin-walled structures is a very complex, due to inability to perform welded joints in this type of elements and the limited ability to applying mechanical fasteners. Moreover, structures made of thin-walled cross-section demonstrate a high sensitivity to imperfections and tendency to interactive buckling, which may substantially contribute to the reduction of critical load capacity. Due to the lack of commonly used and recognized modern methods of strengthening of thin-walled steel structures, authors performed the experimental studies of thin-walled sigma profiles strengthened with CFRP tapes. The paper presents the experimental stand and the preliminary results of laboratory test concerning the analysis of the effectiveness of the strengthening steel beams made of thin-walled sigma profiles with CFRP tapes. The study includes six beams made of the cold-rolled sigma profiles with height of 140 mm, wall thickness of 2.5 mm, and a length of 3 m, subjected to the uniformly distributed load. Four beams have been strengthened with carbon fiber tape Sika CarboDur S, while the other two were tested without strengthening to obtain reference results. Based on the obtained results, the evaluation of the accuracy of applied composite materials for strengthening of thin-walled structures was performed.

Keywords: CFRP tapes, sigma profiles, steel thin-walled structures, strengthening

Procedia PDF Downloads 305
4420 Effects of Various Wavelet Transforms in Dynamic Analysis of Structures

Authors: Seyed Sadegh Naseralavi, Sadegh Balaghi, Ehsan Khojastehfar

Abstract:

Time history dynamic analysis of structures is considered as an exact method while being computationally intensive. Filtration of earthquake strong ground motions applying wavelet transform is an approach towards reduction of computational efforts, particularly in optimization of structures against seismic effects. Wavelet transforms are categorized into continuum and discrete transforms. Since earthquake strong ground motion is a discrete function, the discrete wavelet transform is applied in the present paper. Wavelet transform reduces analysis time by filtration of non-effective frequencies of strong ground motion. Filtration process may be repeated several times while the approximation induces more errors. In this paper, strong ground motion of earthquake has been filtered once applying each wavelet. Strong ground motion of Northridge earthquake is filtered applying various wavelets and dynamic analysis of sampled shear and moment frames is implemented. The error, regarding application of each wavelet, is computed based on comparison of dynamic response of sampled structures with exact responses. Exact responses are computed by dynamic analysis of structures applying non-filtered strong ground motion.

Keywords: wavelet transform, computational error, computational duration, strong ground motion data

Procedia PDF Downloads 378