Search results for: x-ray crystal structures

Authors: J. Skibinski, P. Caban, T. Wejrzanowski, K. J. Kurzydlowski

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In the present study numerical simulations of epitaxial growth of gallium nitride in Metal Organic Vapor Phase Epitaxy reactor AIX-200/4RF-S are addressed. The aim of this study was to design the optimal fluid flow and thermal conditions for obtaining the most homogeneous product. Since there are many agents influencing reactions on the crystal growth area such as temperature, pressure, gas flow or reactor geometry, it is difficult to design optimal process. Variations of process pressure and hydrogen mass flow rates have been considered. According to the fact that it’s impossible to determine experimentally the exact distribution of heat and mass transfer inside the reactor during crystal growth, detailed 3D modeling has been used to get an insight of the process conditions. Numerical simulations allow to understand the epitaxial process by calculation of heat and mass transfer distribution during growth of gallium nitride. Including chemical reactions in the numerical model allows to calculate the growth rate of the substrate. The present approach has been applied to enhance the performance of AIX-200/4RF-S reactor.

Keywords: computational fluid dynamics, finite volume method, epitaxial growth, gallium nitride

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Authors: Karen B. Ghazaryan

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Recently, the propagation of coupled electromagnetic and elastic waves in magneto-electro-elastic (MEE) structures attracted much attention due to the wide range of application of these materials in smart structures. MEE materials are a class of new artificial composites that consist of simultaneous piezoelectric and piezomagnetic phases. Magneto-electro-elastic composites are built up by combining piezoelectric and piezomagnetic phases to obtain a smart composite that presents not only the electromechanical and magneto-mechanical coupling but also a strong magnetoelectric coupling, which makes such materials highly valuable in technological usage. In the framework of quasi-static approach shear surface and localized waves are considered in magneto-electro-elastic piezo-active structure consisting of functionally graded 6mm hexagonal symmetry group crystals. Assuming that in a functionally graded material the elastic and electromagnetic properties vary in the same proportion in direction perpendicular to the MEE polling direction, special classes of inhomogeneity functions were found, admitting exact solutions for coupled electromagnetic and elastic wave fields. Based on these exact solutions, defining the coupled shear wave field in magneto-electro-elastic composites several modal problems are considered: shear surface waves propagation along surface of a MEE half-space, interfacial wave propagation in a MEE oppositely polarized bi-layer, Love type waves in a functionally graded MEE layer overlying a homogeneous elastic half-space. For the problems under consideration corresponding dispersion equations are deduced analytically in an explicit form and for the BaTiO₃–CoFe₂O₄ crystal numerical results estimating effects of inhomogeneity and piezo effect are carried out.

Keywords: surface shear waves, magneto-electro-elastic composites, piezoactive crystals, functionally graded elastic materials

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Authors: Mustafa Gülen, Eylem Güzel, Soner Guler

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The studies concentrated on the historical background of Van show the fact that Van has had a significant position as a settlement since ancient times and that it has hosted many civilizations during history. With the dominance of Ottoman Empire in 16th century, the region had been re-constructed by building new walls at the southern side of Van Castle. These construction activities had mostly been fulfilled by the usage of adobe which had been a fundamental material for thousands of years. As a result of natural disasters, battles and the move at the threshold of 20th century to the new settlement which is 9 kilometers away from the Ancient City Van is an open-air museum with the ruins of churches, mosques and baths. In this study, the usage of adobe in historical structures of Van city is evaluated in detail.

Keywords: historical structures, adobe, Van city, adobe

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Authors: Nour Eldin Afyouni, Hassan Assoum, Kamel Abed-Meraim, Anas Sakout

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The acoustic of an impinging jet holds significant importance in the engineering field. In HVAC systems, the jet impingement, in some cases, generates noise that destroys acoustic comfort. This paper presents an experimental study of a rectangular air jet impinging on a slotted plate to investigate the correlation between sound emission and turbulence dynamics. The experiment was conducted with an impact ratio L/H = 4 and a Reynolds number Re = 4700. The survey shows that coherent structures within the impinging jet are responsible for self-sustaining tone production. To achieve this, a specific experimental setup consisting of two simultaneous Stereoscopic Particle Image Velocimetry (S-PIV) measurements was developed to track vortical structures both before and after the plate, in addition to acoustic measurements. The results reveal a significant correlation between acoustic waves and the passage of coherent structures. Variations in the arrangement of vortical structures between the upstream and downstream sides of the plate were observed. This analysis of flow dynamics can enhance our understanding of slot noise.

Keywords: impinging jet, coherent structures, SPIV, aeroacoustics

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Authors: Reza Behboodian

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Monitoring the structural health and diagnosing their damage in the early stages has always been one of the topics of concern. Nowadays, research on structural damage detection methods based on vibration analysis is very extensive. Moreover, these methods can be used as methods of permanent and timely inspection of structures and prevent further damage to structures. Non-destructive methods are the low-cost and economical methods for determining the damage of structures. In this research, a non-destructive method for detecting and identifying the failure location in structures based on dynamic responses resulting from time history analysis is proposed. When the structure is damaged due to the reduction of stiffness, and due to the applied loads, the displacements in different parts of the structure were increased. In the proposed method, the damage position is determined based on the calculation of the strain energy difference in each member of the damaged structure and the healthy structure at any time. Defective members of the structure are indicated by the amount of strain energy relative to the healthy state. The results indicated that the proper accuracy and performance of the proposed method for identifying failure in structures.

Keywords: failure, time history analysis, dynamic response, strain energy

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Authors: Hong Zhang

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Photocatalytic degradation is an appealing process to remove organic contaminants from industrial wastewater, but usually impeded by less effective photocatalysts. Here, we successfully synthesized Ag doped La₂Ti₂O₇ via a simple sol-gel route for photocatalytic methyl orange (MO) degradation. Their crystal structures, morphology, surface area and optical absorption activity were systematically characterized by X-ray diffraction, scanning electron microscope, BET N₂ adsorption-desorption study, and UV-vis diffuse reflectance spectra. The photocatalytic activity was evaluated by MO photodegradation under a 300 W xenon lamp. The results indicate that the doping of Ag has effectively narrowed the band gap, increased the specific area of La2Ti2O7, and supressed the recombination of photogenerated carriers. Compared with the pristine La₂Ti₂O₇, La₁.₉Ag₀.₁Ti₂O₇-δ revealed a superior performance for MO degradation with a degradation rate of 97% in only 60 min. Also, the pseudo-first order kinetic constant for La₁.₉Ag₀.₁Ti₂O₇-δ is ~ 11 times higher than that of undoped sample. The outstanding performance of Ag modified La₂Ti₂O₇ is probably attributed to the integrated factors. Active species trapping experiments indicated that h+ plays a critical role in MO degradation, while •O₂− has slight effect on the photocatalytic activity and the function of •OH can almost be neglected.

Keywords: Ag doped La₂Ti₂O₇, methyl orange, photodegradation, surface plasmon resonance

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Authors: J.R.S.S. Kumara, M.A.R.M. Fernando, S.Venkatesh, D.K. Jayaratne

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Protection of heritage monuments against lightning has become extremely important as far as their historical values are concerned. When such structures are large and tall, the risk of lightning initiated from both cloud and ground can be high. This paper presents a lightning risk analysis of three giant stupas in Anuradhapura era (fourth century BC onwards) in Sri Lanka. The three stupas are Jethawaaramaya (269-296 AD), Abayagiriya (88-76 BC) and Ruwanweliseya (161-137 BC), the third, fifth and seventh largest ancient structures in the world. These stupas are solid brick structures consisting of a base, a near hemispherical dome and a conical spire on the top. The ancient stupas constructed with a dielectric crystal on the top and connected to the ground through a conducting material, was considered as the hypothesis for their original lightning protection technique. However, at present, all three stupas are protected with Franklin rod type air termination systems located on top of the spire. First, a risk analysis was carried out according to IEC 62305 by considering the isokeraunic level of the area and the height of the stupas. Then the standard protective angle method and rolling sphere method were used to locate the possible touching points on the surface of the stupas. The study was extended to estimate the critical current which could strike on the unprotected areas of the stupas. The equations proposed by (Uman 2001) and (Cooray2007) were used to find the striking distances. A modified version of rolling sphere method was also applied to see the effects of upward leaders. All these studies were carried out for two scenarios: with original (i.e. ancient) lightning protection system and with present (i.e. new) air termination system. The field distribution on the surface of the stupa in the presence of a downward leader was obtained using finite element based commercial software COMSOL Multiphysics for further investigations of lightning risks. The obtained results were analyzed and compared each other to evaluate the performance of ancient and new lightning protection methods and identify suitable methods to design lightning protection systems for stupas. According to IEC standards, all three stupas with new and ancient lightning protection system has Level IV protection as per protection angle method. However according to rolling sphere method applied with Uman’s equation protection level is III. The same method applied with Cooray’s equation always shows a high risk with respect to Uman’s equation. It was found that there is a risk of lightning strikes on the dome and square chamber of the stupa, and the corresponding critical current values were different with respect to the equations used in the rolling sphere method and modified rolling sphere method.

Keywords: Stupa, heritage, lightning protection, rolling sphere method, protection level

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Authors: Sherine A. El Baradei

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Global warming and climatic change are very important topics that are being studied and investigated nowadays as they have lots of diverse impacts on mankind, water quality, aquatic life, wildlife,…etc. Also, many water and hydraulics structures like dams and barrages are being built every day to satisfy water consumption needs, irrigation purposes and power generating purposes. Each of global warming and water structures alone has diversity of impacts on water quality and aquatic life in rivers. This research is investigating the dual combined effect of both water structures and global warming on the water quality and aquatic life through mathematical modeling. A case study of the Esna Barrage on the Nile River in Egypt is being studied. This research study is taking into account the effects of both seasons; namely, winter and summer and their effects on air and hence water temperature of the Nile reach under study. To do so, the study is conducted on the last 23 years to investigate the effect of global warming and climatic change on the studied river water. The mathematical model is then combining the dual effect of the Esna barrage and the global warming on the water quality; as well as, on aquatic life of the Nile reach under study. From the results of the mathematical model, it could be concluded that the dual effect of water structures and global warming is very negative on the water quality and the aquatic life in rivers upstream those structures.

Keywords: aquatic life, barrages, climatic change, dissolved oxygen, global warming, river, water quality, water structures

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Authors: Duy M. P. Vo, Cornelia Sennewald, Gerald Hoffmann, Chokri Cherif

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The development of solutions to improve the resistance of buildings to short-term dynamic loads, particularly impact load, is driven by the urgent demand worldwide on securing human life and critical infrastructures. The research training group GRK 2250/1 aims to develop mineral-bonded composites that allow the fabrication of thin-layered strengthening layers providing available concrete members with enhanced impact resistance. This paper presents the development of 3D woven wire cellular structures that can be used as innovative reinforcement for targeted composites. 3D woven wire cellular structures are truss-like architectures that can be fabricated in an automatized process with a great customization possibility. The specific architecture allows this kind of structures to have good load bearing capability and forming behavior, which is of great potential to give strength against impact loading. An appropriate combination of topology and material enables an optimal use of thin-layered reinforcement in concrete constructions.

Keywords: 3D woven cellular structures, ductile behavior, energy absorption, fiber-based reinforced concrete, impact resistant

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Authors: Vera Varazashvili, Murman Tsarakhov, Tamar Mirianashvili, Teimuraz Pavlenishvili, Tengiz Machaladze, Mzia Khundadze

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Standard Gibbs energy of formation ΔGfor(298.15) of lanthanide-iron double oxides of garnet-type crystal structure R3Fe5O12 - RIG (R – are rare earth ions) from initial oxides are evaluated. The calculation is based on the data of standard entropies S298.15 and standard enthalpies ΔH298.15 of formation of compounds which are involved in the process of garnets synthesis. Gibbs energy of formation is presented as temperature function ΔGfor(T) for the range 300-1600K. The necessary starting thermodynamic data were obtained from calorimetric study of heat capacity and by using the semi-empirical method for calculation of ΔH298.15 (formation). Thermodynamic functions for standard temperature – enthalpy, entropy and Gibbs energy - are recommended as reference data for technological evaluations. Through the isostructural series of rare earth-iron garnets the correlation between thermodynamic properties and characteristics of lanthanide ions are elucidated.

Keywords: calorimetry, entropy, heat capacity, Gibbs energy of formation, rare earth iron garnets

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Authors: Rui Magalhães, Sohel Rana, Raul Fangueiro, Clara Gonçalves, Pedro Nunes, Gustavo Dias

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Auxetic fibrous structures and composites with negative Poisson’s ratio (NPR) have huge potential for application in ballistic protection due to their high energy absorption and excellent impact resistance. In the present research, re-entrant lozenge auxetic fibrous structures were produced through weft knitting technology using high performance polyamide and para-aramid fibres. Fabric structural parameters (e.g. loop length) and machine parameters (e.g. take down load) were varied in order to investigate their influence on the auxetic behaviours of the produced structures. These auxetic structures were then impregnated with two types of polymeric resins (epoxy and polyester) to produce composite materials, which were subsequently characterized for the auxetic behaviour. It was observed that the knitted fabrics produced using the polyamide yarns exhibited NPR over a wide deformation range, which was strongly dependant on the loop length and take down load. The polymeric composites produced from the auxetic fabrics also showed good auxetic property, which was superior in case of the polyester matrix. The experimental results suggested that these composites made from the auxetic fibrous structures can be properly designed to find potential use in the body amours for personal protection applications.

Keywords: auxetic fabrics, high performance, composites, energy absorption, impact resistance

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Authors: Pavlo Selyshchev

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A theoretical approach to describe kinetic of heat transfer between an irradiated sample and environment is developed via formalism of the Complex systems and kinetic equations. The irradiated material is a metastable system with non-linear feedbacks, which can give rise to different regimes of buildup and annealing of radiation-induced defects, heating and heat transfer with environment. Irradiation with energetic particles heats the sample and produces defects of the crystal lattice of the sample. The crystal with defects accumulates extra (non-thermal) energy, which is transformed into heat during the defect annealing. Any increase of temperature leads to acceleration of defect annealing, to additional transformation of non-thermal energy into heat and to further growth of the temperature. Thus a non-linear feedback is formed. It is shown that at certain conditions of irradiation this non-linear feedback leads to self-oscillations of the defect density, the temperature of the irradiated sample and the heat transfer between the sample and environment. Simulation and analysis of these phenomena is performed. The frequency of the self-oscillations is obtained. It is determined that the period of the self-oscillations is varied from minutes to several hours depending on conditions of irradiation and properties of the sample. Obtaining results are compared with experimental ones.

Keywords: irradiation, heat transfer, non-linear feed-back, self-oscillations

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Authors: Balthazar Temu, Zhao Yan, Bogdan-Petrin Ratiu, Sang Soon Oh, Qiang Li

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Nanowire based Photonic Crystal Surface Emitting Lasers (PCSELs) reported in the literature have been designed using a triangular, square or honeycomb patterns. The triangular and square pattern PCSELs have limited degrees of freedom in tuning the design parameters which hinders the ability to design high quality factor (Q-factor) devices. Nanowire based PCSELs designed using triangular and square patterns have been reported with the lasing thresholds of 130 kW/〖cm〗^2 and 7 kW/〖cm〗^2 respectively. On the other hand the honeycomb pattern gives more degrees of freedom in tuning the design parameters, which can allow one to design high Q-factor devices. A deformed honeycomb pattern device was reported with lasing threshold of 6.25 W/〖cm〗^2 corresponding to a simulated Q-factor of 5.84X〖10〗^5.Despite this achievement, the design principles which can lead to realization of even higher Q-factor honeycomb pattern PCSELs have not yet been investigated. In this work we show that through deforming the honeycomb pattern and tuning the heigh and lattice constants of the nanowires, it is possible to achieve even higher Q-factor devices. Considering three different band edge modes, we investigate how the resonance wavelength changes as the device is deformed, which is useful in designing high Q-factor devices in different wavelength bands. We eventually establish the design and simulation of honeycomb PCSELs operating around the wavelength of 960nm , in the O and the C band with Q-factors up to 7X〖10〗^7. We also investigate the Q-factors of undeformed device, and establish that the mode at the band edge close to 960nm can attain highest Q-factor of all the modes when the device is undeformed and the Q-factor degrades as the device is deformed. This work is a stepping stone towards the fabrication of very high Q-factor, nanowire based honey comb PCSELs, which are expected to have very low lasing threshold.

Keywords: designing nanowire PCSEL, designing PCSEL on silicon substrates, low threshold nanowire laser, simulation of photonic crystal lasers

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Authors: Temami Oussama, Bessais Lakhdar, Hamadi Djamal, Abderrahmani Sifeddine

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The analysis of complex structures encourages the engineer to make simplifying assumptions, sometimes attempting the analysis of the whole structure as complex as it is, and it can be done using the finite element method (FEM). In the modeling of complex structures by finite elements, various elements can be used: beam element, membrane element, solid element, plates and shells elements. These elements formulated according to the classical formulation and do not generally share the same nodal degrees of freedom, which complicates the development of a compatible model. The compatibility of the elements with each other is often a difficult problem for modeling complicated structure. This compatibility is necessary to ensure the convergence. To overcome this problem, we have proposed finite elements with a rotational degree of freedom. The study used is based on the strain approach formulation with 2D and 3D formulation with different degrees of freedom at each node. For the comparison and confrontation of results; the finite elements available in ABAQUS/Standard are used.

Keywords: compatibility requirement, complex structures, finite elements, modeling, strain approach

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Authors: Annarita Zarrillo

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This research is part of adaptive architecture, reflecting the evolution that the world of architectural design is going through. Today's architecture is no longer seen as a static system but, conversely, as a dynamic system that changes in response to the environment and the needs of users. One of the major forms of adaptivity is represented by kinetic structures. This study aims to underline the importance of experimentation on physical scale models for the study of dynamic structures and to present the case study of a modular kinetic structure designed through the use of parametric design software and created as a prototype in the laboratories of the Royal Danish Academy in Copenhagen.

Keywords: adaptive architecture, architectural application, kinetic structures, modular prototype

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Authors: Azam Fazelpour, Saeed R. Dehghani, Vlastimil Masek, Yuri S. Muzychka

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This study employs a method based on image analyses and structure information to detect accumulated ice on known structures. The icing of marine vessels and offshore structures causes significant reductions in their efficiency and creates unsafe working conditions. Image processing methods are used to measure ice loads automatically. Most image processing methods are developed based on captured image analyses. In this method, ice loads on structures are calculated by defining structure coordinates and processing captured images. A pyramidal structure is designed with nine cylindrical bars as the known structure of experimental setup. Unsymmetrical ice accumulated on the structure in a cold room represents the actual case of experiments. Camera intrinsic and extrinsic parameters are used to define structure coordinates in the image coordinate system according to the camera location and angle. The thresholding method is applied to capture images and detect iced structures in a binary image. The ice thickness of each element is calculated by combining the information from the binary image and the structure coordinate. Averaging ice diameters from different camera views obtains ice thicknesses of structure elements. Comparison between ice load measurements using this method and the actual ice loads shows positive correlations with an acceptable range of error. The method can be applied to complex structures defining structure and camera coordinates.

Keywords: camera calibration, ice detection, ice load measurements, image processing

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Authors: Yunus Onur Yildiz, Mesut Kirca

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In this study, mechanical properties of a nanoporous metal coated with a different metallic material are studied through a new atomistic modelling technique and molecular dynamics (MD) simulations. This new atomistic modelling technique is based on the Voronoi tessellation method for the purpose of geometric representation of the ligaments. With the proposed technique, atomistic models of nanoporous metals which have randomly oriented ligaments with non-uniform mass distribution along the ligament axis can be generated by enabling researchers to control both ligament length and diameter. Furthermore, by the utilization of this technique, atomistic models of coated nanoporous materials can be numerically obtained for further mechanical or thermal characterization. In general, this study consists of two stages. At the first stage, we use algorithms developed for generating atomic coordinates of the coated nanoporous material. In this regard, coordinates of randomly distributed points are determined in a controlled way to be employed in the establishment of the Voronoi tessellation, which results in randomly oriented and intersected line segments. Then, line segment representation of the Voronoi tessellation is transformed to atomic structure by a special process. This special process includes generation of non-uniform volumetric core region in which atoms can be generated based on a specific crystal structure. As an extension, this technique can be used for coating of nanoporous structures by creating another volumetric region encapsulating the core region in which atoms for the coating material are generated. The ultimate goal of the study at this stage is to generate atomic coordinates that can be employed in the MD simulations of randomly organized coated nanoporous structures. At the second stage of the study, mechanical behavior of the coated nanoporous models is investigated by examining deformation mechanisms through MD simulations. In this way, the effect of coating on the mechanical behavior of the selected material couple is investigated.

Keywords: atomistic modelling, molecular dynamic, nanoporous metals, voronoi tessellation

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Authors: M. Ezati Kooshki , H. Pourmohamad

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Leaf spring dampers are used for commercial vehicles and heavy tracks. The main function of this damper in these vehicles is protection against damage and providing comfort for drivers by creating suspension between road and vehicle. This paper presents a new device, circular leaf spring damper, which is frequently used on vehicles, aiming to gain seismic protection of structures. Finite element analyses were conducted on several one-story structures using finite element software (Abaqus, v6.10-1). The time history analysis was conducted on the records of Kobe (1995) and San Fernando (1971) ground motions to demonstrate the advantages of using leaf spring in structures as compared to simple bracing system. This paper also suggests extending the use of this damper in structures, considering its large control force despite high cycle fatigue properties and low prices.

Keywords: bracing system, finite element analysis, leaf spring, seismic protection, time history analysis

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Authors: Yanan Zhu

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Based on the previous work about the influence mechanism of the mobility difference of phenyl and thienyl substituent semiconductors, we have made further exploration towards to design high-performance organic thin-film transistors. The substituent groups effect plays a significant role in materials properties and device performance as well. For the theoretical study, simulation of materials property and crystal packing can supply scientific guidance for materials synthesis in experiments. This time, we have taken the computational methods to design a new material substituent with furan groups, which are the potential to be used in organic thin-film transistors and organic single-crystal transistors. The reorganization energy has been calculated and much lower than 2,6-diphenyl anthracene (DPAnt), which performs large mobility as more than 30 cm²V⁻¹s⁻¹. Moreover, the other important parameter, charge transfer integral is larger than DPAnt, which suggested the furan substituent material may get a much better charge transport data. On the whole, the mechanism investigation based on phenyl and thienyl assisted in designing novel materials with furan substituent, which is predicted to be an outperformed organic field-effect transistors.

Keywords: theoretical calculation, mechanism, mobility, organic transistors

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Authors: K. V. Ramanaiah, R. Jagan, N. N. Murthy

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Trinuclear oxo-centered carboxylate-bridged iron complexes, [Fe3(µ3-O)(µ2-O2CR)L¬3]+/0 (where R = alkyl or aryl; L = H2O, ROH, Py, solvent) have attracted tremendous attention because of their interesting structural and magnetic properties, exhibit mixed-valent trapped and de-trapped states, and have bioinorganic relevance. The presence of a trinuclear iron binding center has been implicated in the formation of both bacterial and human iron storage protein, Ft. They are used as precursors for the synthesis of models for the active-site structures of non-heme proteins, hemerythrin (Hr), methane monooxygenase (MMO) and polyiron storage protein, ferritin (Ft). Used as important building blocks for the design and synthesis of supramolecules this can exhibit single molecular magnetism (SMM). Such studies have often employed simple and compact carboxylate ligands and the use of bulky carboxylates is scarce. In the present study, we employed two different type of sterically hindered carboxylates and synthesized a series of novel oxo-centered, carboxylate-bridged triiron complexes of general formula [Fe3(O)(O2CCPh3)6L3]X (L = H2O, 1; py, 2; 4-NMe2py, 3; X = ClO4; L = CH3CN, 4; X = FeCl4) and [Fe3(O)(O2C-anth)6L3]X (L = H2O, 5; X = ClO4; L = CH3OH, 6; X = Cl). Along with complex [Fe(OMe)2(O2CCPh3)]10, 7 was prepared by the self-assemble of anhydrous FeCl3, sodium triphenylacetate and sodium methoxide at ratio of 1:1:2 in CH3OH. The Electronic absorption spectra of these complexes 1-6, in CH2Cl2 display weak bands at near FTIR region (970-1135 nm, ε > 15M-1cm-1). For complex 7, one broad band centered at ~670nm and also an additional intense charge transfer (L→M or O→M) bands between 300 to 550nm observed for all the complexes. Paramagnetic 1H NMR is introduced as a good probe for the characterization of trinuclear oxo - cantered iron compounds in solution when the L ligand coordinated to iron varies as: H2O, py, 4-NMe2py, and CH3OH. The solution state magnetic moment values calculated by using Evans method for all the complexes and also solid state magnetic moment value of complex, 7 was calculated by VSM method, which is comparable with solution state value. These all magnetic moment values indicate there is a spin exchange process through oxo and carboxylate bridges in between two irons (d5). The ESI-mass data complement the data obtained from single crystal X-ray structure. Further purity of the compounds was confirmed by elemental analysis. Finally, structural determination of complexes 1, 3, 4, 5, 6 and 7 were unambiguously conformed by single crystal x-ray studies.

Keywords: decanuclear, paramagnetic NMR, trinuclear, uv-visible

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Authors: Kun Xue, Lvlan Miu, Jiarui Li

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Jetting structures are widely found in particle rings or shells dispersed by the central explosion. In contrast, some explosive dispersal of particles only results in a dispersed cloud without distinctive structures. Employing the coupling method of the compressible computational fluid mechanics and discrete element method (CCFD-DEM), we reveal the underlying physics governing the formation of the jetting structure, which is related to the competition between the shock compaction and gas infiltration, two major processes during the shock interaction with the granular media. If the shock compaction exceeds the gas infiltration, the discernable jetting structures are expected, precipitated by the agglomerates of fast-moving particles induced by the heterogenous network of force chains. Otherwise, particles are uniformly accelerated by the interstitial flows, and no distinguishable jetting structures are formed. We proceed to devise the phase map of the jetting formation in the space defined by two dimensionless parameters which characterize the timescales of the shock compaction and the gas infiltration, respectively.

Keywords: compressible multiphase flows, DEM, granular jetting, pattern formation

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Authors: Rayan B. M. Ameen, Ian P. Jones, Yu Lung Chiu

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Single alpha-beta colony micro-pillars have been manufactured from a polycrystalline commercial Ti-6Al-4V sample using Focused Ion Beam (FIB). Each pillar contained two alpha lamellae separated by a thin fillet of beta phase. A nano-indenter was then used to conduct uniaxial micro-compression tests on Ti alloy single crystals, using a diamond flat tip as a compression platen. By controlling the crystal orientation along the micro-pillar using Electron back scattering diffraction (EBSD) different slip systems have been selectively activated. The advantage of the micro-compression method over conventional mechanical testing techniques is the ability to localize a single crystal volume which is characterizable after deformation. By matching the stress-strain relations resulting from micro-compression experiments to TEM (Transmission Electron Microscopy) studies of slip transmission mechanisms through the α-β interfaces, some proper constitutive material parameters such as the role of these interfaces in determining yield, strain-hardening behaviour, initial dislocation density and the critical resolved shear stress are suggested.

Keywords: α/β-Ti alloy, focused ion beam, micro-mechanical test, nano-indentation, transmission electron diffraction, plastic flow

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Authors: Hassiba Bougueria, Nesrine Benarous, Souheyla Chetioui

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Azo dyes are one of the most widely used compounds in organic chemistry, primarily due to their relatively simple preparation methods. They have therefore been widely used, in particular as colorants for textiles, printing inks, cosmetics, and food additives. In addition to their use as dyes, azo compounds have attracted much attention from chemists as their potential applications are important in coordination chemistry, metal-organic frameworks (MOF) structures, COF (covalent-organic frameworks), and catalysis. Moreover, they have found many applications in different fields, such as nonlinear optics, optical storage, photoluminescence, and magnetism. The compound bis{(E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate, the CuII atom is tetracoordinate with a square-planar geometry, surrounded by two bidentate (E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalene-2-olate ligands via two N atoms and two O atoms. The O-Cu-O angles and N-Cu-N are of the order of 177.90(16)° and 177.8(2)°, respectively. The distances Cu-O and Cu- N are 1.892(4) Å and 1.976(4) Å, respectively. The cohesion of the crystal is ensured by hydrogen bonds of the C—H…O type and by π=π staking interactions [centroid–centroid distance = 3.679(4)Å]. The DMSO solvent molecule is disordered at two positions with occupancy rates of 0.70 and 0.30.

Keywords: azo dyes, DRX, structural characterization, biological activity

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Authors: Abouzar Kaboudian, Ravi Chaithanya Mysa, Boo Cheong Khoo, Rajeev Kumar Jaiman

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Vortex induced vibrations can significantly affect the effectiveness of structures in aerospace as well as offshore marine industries. The oscillatory nature of the forces resulting from the vortex shedding around bluff bodies can result in undesirable effects such as increased loading, stresses, deflections, vibrations and noise in the structures, and also reduced fatigue life of the structures. To date, most studies concentrate on either the free oscillations or the prescribed motion of the bluff bodies. However, the structures in operation are usually subject to the external oscillatory forces (e.g. due to the platform motions in offshore industries). In this work, we present the effects of the external cross-flow forces on the vortex-induced vibrations of an oscillating cylinder. The effects of the amplitude, as well as the frequency of the external force on the fluid-forces on the oscillating cylinder are carefully studied and presented. Moreover, we present the transition of the response to be dominated by the vortex-induced-vibrations to the range where it is mostly dictated by the external oscillatory forces. Furthermore, we will discuss how the external forces can affect the flow structures around a cylinder. All results are compared against free oscillations of the cylinder.

Keywords: circular cylinder, external force, vortex-shedding, VIV

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Authors: Zone-Ching Lin, Hao-Yuan Jheng, Zih-Wun Jhang

Abstract:

The paper innovatively proposes using the concept of specific down force energy (SDFE) and AFM machine to establish a machining method of cross-shape nanochannel on single-crystal silicon substrate. As for machining a cross-shape nanochannel by AFM machine, the paper develop a method of machining cross-shape nanochannel groove at a fixed down force by using SDFE theory and combining the planned cutting path of cross-shape nanochannel up to 5th machining layer it finally achieves a cross-shape nanochannel at a cutting depth of around 20nm. Since there may be standing burr at the machined cross-shape nanochannel edge, the paper uses a smaller down force to cut the edge of the cross-shape nanochannel in order to lower the height of standing burr and converge the height of standing burr at the edge to below 0.54nm as set by the paper. Finally, the paper conducts experiments of machining cross-shape nanochannel groove on single-crystal silicon by AFM probe, and compares the simulation and experimental results. It is proved that this proposed machining method of cross-shape nanochannel is feasible.

Keywords: atomic force microscopy (AFM), cross-shape nanochannel, silicon substrate, specific down force energy (SDFE)

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Authors: Davood Mousanezhad, Ashkan Vaziri

Abstract:

As a traditional cellular structure, hexagonal honeycombs are known for their high strength-to-weight ratio. Here, we introduce a class of fractal-appearing hierarchical metamaterials by replacing the vertices of the original non-hierarchical hexagonal grid with smaller hexagons and iterating this process to achieve higher levels of hierarchy. It has been recently shown that the isotropic in-plane Young's modulus of this hierarchical structure at small deformations becomes 25 times greater than its regular counterpart with the same mass. At large deformations, we find that hierarchy-dependent elastic buckling introduced at relatively early stages of deformation decreases the value of Poisson's ratio as the structure is compressed uniaxially leading to auxeticity (i.e., negative Poisson's ratio) in subsequent stages of deformation. We also show that the topological hierarchical architecture and instability-induced pattern transformations of the structure under compression can be effectively used to tune the propagation of elastic waves within the structure. We find that the hierarchy tends to shift the existing phononic bandgaps (defined as frequency ranges of strong wave attenuation) to lower frequencies while opening up new bandgaps. Deformation is also demonstrated as another mechanism for opening more bandgaps in hierarchical structures. The results provide new insights into the role of structural organization and hierarchy in regulating mechanical properties of materials at both the static and dynamic regimes.

Keywords: cellular structures, honeycombs, hierarchical structures, metamaterials, multifunctional structures, phononic crystals, auxetic structures

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Authors: V. Swarnalatha, A. V. Narasimha Rao, P. Pal

Abstract:

The present research reports the investigation of fast etching of silicon for the fabrication of microelectromechanical systems (MEMS) structures using silicon wet bulk micromachining. Low concentration tetramethyl-ammonium hydroxide (TMAH) and hydroxylamine (NH₂OH) are used as main etchant and additive, respectively. The concentration of NH₂OH is varied to optimize the composition to achieve best etching characteristics such as high etch rate, significantly high undercutting at convex corner for the fast release of the microstructures from the substrate, and improved etched surface morphology. These etching characteristics are studied on Si{100} and Si{110} wafers as they are most widely used in the fabrication of MEMS structures as wells diode, transistors and integrated circuits.

Keywords: KOH, MEMS, micromachining, silicon, TMAH, wet anisotropic etching

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Authors: I. Shuro

Abstract:

The crystal structure of Tin Sulfide prepared by certain chemical methods is investigated using High-Resolution Transmission Electron Microscopy (HRTEM), Scanning Electron Microscopy (SEM), and X-ray diffraction (XRD) methods. An anomalous HRTEM Fast Fourier Transform (FFT) exhibited a central scatter of diffraction spots, which is surrounded by secondary clusters of spots arranged in a hexagonal pattern around the central cluster was observed. FFT analysis has revealed a long lattice parameter and mostly viewed along a hexagonal axis where there many columns of atoms slightly displaced from one another. This FFT analysis has revealed that the metal sulfide has a long-range order interwoven chain of atoms in its crystal structure. The observed crystalline structure is inconsistent with commonly observed FFT patterns of chemically synthesized Tin Sulfide nanocrystals and thin films. SEM analysis showed the morphology of a myriad of multi-shaped crystals ranging from hexagonal, cubic, and spherical micro to nanostructured crystals. This study also investigates the presence of quasi-crystals as reflected by the presence of mixed local symmetries.

Keywords: fast fourier transform, high resolution transmission electron microscopy, tin sulfide, crystalline structure

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Authors: Rafael do Amaral Teodoro, Leandro Augusto da Silva

Abstract:

Originated from graphite, graphene is a two-dimensional (2D) material that promises to revolutionize technology in many different areas, such as energy, telecommunications, civil construction, aviation, textile, and medicine. This is possible because its structure, formed by carbon bonds, provides desirable optical, thermal, and mechanical characteristics that are interesting to multiple areas of the market. Thus, several research and development centers are studying different manufacturing methods and material applications of graphene, which are often compromised by the scarcity of more agile and accurate methodologies to characterize the material – that is to determine its composition, shape, size, and the number of layers and crystals. To engage in this search, this study proposes a computational methodology that applies deep learning to identify graphene oxide crystals in order to characterize samples by crystal sizes. To achieve this, a fully convolutional neural network called U-net has been trained to segment SEM graphene oxide images. The segmentation generated by the U-net is fine-tuned with a standard deviation technique by classes, which allows crystals to be distinguished with different labels through an object delimitation algorithm. As a next step, the characteristics of the position, area, perimeter, and lateral measures of each detected crystal are extracted from the images. This information generates a database with the dimensions of the crystals that compose the samples. Finally, graphs are automatically created showing the frequency distributions by area size and perimeter of the crystals. This methodological process resulted in a high capacity of segmentation of graphene oxide crystals, presenting accuracy and F-score equal to 95% and 94%, respectively, over the test set. Such performance demonstrates a high generalization capacity of the method in crystal segmentation, since its performance considers significant changes in image extraction quality. The measurement of non-overlapping crystals presented an average error of 6% for the different measurement metrics, thus suggesting that the model provides a high-performance measurement for non-overlapping segmentations. For overlapping crystals, however, a limitation of the model was identified. To overcome this limitation, it is important to ensure that the samples to be analyzed are properly prepared. This will minimize crystal overlap in the SEM image acquisition and guarantee a lower error in the measurements without greater efforts for data handling. All in all, the method developed is a time optimizer with a high measurement value, considering that it is capable of measuring hundreds of graphene oxide crystals in seconds, saving weeks of manual work.

Keywords: characterization, graphene oxide, nanomaterials, U-net, deep learning

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Authors: Mustafa Gulen, Eylem Guzel, Soner Guler

Abstract:

The studies concentrated on the historical background of Van city show the fact that Van city has had a significant position as a settlement since ancient times and that it has hosted many civilizations during history. With the dominance of Ottoman Empire in 16th century, the region had been re-constructed by building new walls at the southern side of Van Castle. These construction activities had mostly been fulfilled by the usage of mudbrick which had been a fundamental material for thousands of years. As a result of natural disasters, battles and the move at the threshold of 20th century to the new settlement which is 9 kilometers away from the Ancient City Van is an open-air museum with the ruins of churches, mosques and baths. In this study, the usage of mudbrick from past till today in historical structures of Van city is evaluated in detail.

Keywords: historical structures, history, mudbrick, Van city

Procedia PDF Downloads 534