Search results for: crystal structure

Authors: V. Marzal, J. C. Torres, B. Garcia-Camara, Manuel Cano-Garcia, Xabier Quintana, I. Perez Garcilopez, J. M. Sanchez-Pena

Abstract:

At the present time, the use of nanostructures in complex media, like liquid crystals, is widely extended to manipulate their properties, either electrical or optical. In addition, these media can also be used to control the optical properties of the nanoparticles, for instance when they are resonant. In this work, the change on electrical properties of a liquid crystal cell by adding TiO₂ nanoparticles on one of the alignment layers has been analyzed. These nanoparticles, with a diameter of 100 nm and spherical shape, were deposited in one of the substrates (ITO + polyimide) by spin-coating in order to produce a homogeneous layer. These substrates were checked using an optical microscope (objective x100) to avoid potential agglomerates. The liquid crystal cell is then fabricated, using one of these substrates and another without nanoparticles, and filled with E7. The study of the electrical response was done through impedance measurements in a long range of frequencies (3 Hz- 6 MHz) and at ambient temperature. Different nanoparticle concentrations were considered, as well as pure E7 and an empty cell for comparison purposes. Results about the effective dielectric permittivity and conductivity are presented along with models of equivalent electric circuits and its physical interpretation. As a summary, it has been observed the clear influence of the presence of the nanoparticles, strongly modifying the electric response of the device. In particular, a variation of both the effective permittivity and the conductivity of the device have been observed. This result requires a deep analysis of the effect of these nanoparticles on the trapping of free ions in the device, allowing a controlled manipulation and frequency tuning of the electrical response of these devices.

Keywords: alignment layer, electrical behavior, liquid crystal, TiO₂ nanoparticles

Procedia PDF Downloads 175

Authors: M. Simchi, M. Amiri, E. Rezvani, I. Mirzaei, M. Berahman, A. Simchi, M. Fardmanesh

Abstract:

Graphene is a single-atomic two-dimensional crystal of carbon atoms that has considerable properties due to its unique structure and physics with applications in different fields. Graphene has sensitive electrical properties due to its atomic-thin structure. Along with the substrate materials and their influence on the transport properties in graphene, design and fabrication of graphene-based devices for biomedical and biosensor applications are challenging. In this work, large-area high-quality graphene nanosheets were prepared by low pressure chemical vapor deposition using methane gas as carbon source on copper foil and transferred on the biocompatible substrates. Through deposition of titanium and gold contacts, current-voltage response of the transferred graphene on four biocompatible substrates, including PDMS, SU-8, Nitrocellulose, and Kapton (Fig. 2) were experimentally determined. The considerable effect of the substrate type on the electrical properties of graphene is shown. The sheet resistance of graphene is changed from 0.34 to 14.5 kΩ/sq, depending on the substrate.

Keywords: biocompatible substrates, electrical properties, graphene, sheet resistance

Procedia PDF Downloads 105

Authors: Indu Verma, Santanu Kumar Pal

Abstract:

Interactions between DNA and adsorbed Poly (L-lysine) (PLL) on liquid crystal (LC) droplets were investigated using polarizing optical microcopy (POM) and epi-fluorescence microscopy. Earlier, we demonstrated that adsorption of PLL to the LC/aqueous interface resulted in homeotropic orientation of the LC and thus exhibited a radial configuration of the LC confined within the droplets. Subsequent adsorption of DNA (single stranded DNA/double stranded DNA) at PLL coated LC droplets was found to trigger a LC reorientation within the droplets leading to pre-radial/bipolar configuration of those droplets. To our surprise, subsequent exposure of complementary ssDNA (c-ssDNA) to ssDNA/ adsorbed PLL modified LC droplets did not cause the LC reorientation. This is likely due to the formation of polyplexes (DNA-PLL complex) as confirmed by fluorescence microscopy and atomic force microscopy. In addition, dsDNA adsorbed PLL droplets have been found to be effectively used to displace (controlled release) propidium iodide (a model drug) encapsulated within dsDNA over time. These observations suggest the potential for a label free droplet based LC detection system that can respond to DNA and may provide a simple method to develop DNA-based drug nano-carriers.

Keywords: DNA biosensor, drug delivery, interfaces, liquid crystal droplets

Procedia PDF Downloads 266

Authors: Juntao Li

Abstract:

The metasurfaces for beam deflecting with gradient silicon posts in the square lattices were fabricated on the thin film crystal silicon with quartz substrate. By using the crystals silicon with high refractive index and high transmission to control the phase over 2π coverage, we demonstrated the polarization independent beam deflecting at wavelength of 532nm with 45% transmission in experiment and 70% in simulation into the desired angle. This simulation efficiency is almost close to the TiO2 metasurfaces but has higher refractive index and lower aspect ratio to reduce fabrication complexity. The result can extend the application of silicon metalsurfaces from 700 nm to 500 nm hence open a new way to use metasurfaces efficiently in visible light regime.

Keywords: metasurfaces, crystal silicon, light deflection, visible light

Procedia PDF Downloads 253

Authors: F. Yılmaz, Y. Saylan, A. Derazshamshir, S. Atay, A. Denizli

Abstract:

Quartz crystal microbalance (QCM), high-resolution mass-sensing technique, measures changes in mass on oscillating quartz crystal surface by measuring changes in oscillation frequency of crystal in real time. Protein adsorption techniques via hydrophobic interaction between protein and solid support, called hydrophobic interaction chromatography (HIC), can be favorable in many cases. Some nanoparticles can be effectively applied for HIC. HIC takes advantage of the hydrophobicity of proteins by promoting its separation on the basis of hydrophobic interactions between immobilized hydrophobic ligands and nonpolar regions on the surface of the proteins. Lysozyme is found in a variety of vertebrate cells and secretions, such as spleen, milk, tears, and egg white. Its common applications are as a cell-disrupting agent for extraction of bacterial intracellular products, as an antibacterial agent in ophthalmologic preparations, as a food additive in milk products and as a drug for treatment of ulcers and infections. Lysozyme has also been used in cancer chemotherapy. The aim of this study is the synthesis of hydrophobic nanoparticles for Lysozyme detection. For this purpose, methacryoyl-L-phenylalanine was chosen as a hydrophobic matrix. The hydrophobic nanoparticles were synthesized by micro-emulsion polymerization method. Then, hydrophobic QCM nanosensor was characterized by Attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, atomic force microscopy (AFM) and zeta size analysis. Hydrophobic QCM nanosensor was tested for real-time detection of Lysozyme from aqueous solution. The kinetic and affinity studies were determined by using Lysozyme solutions with different concentrations. The responses related to a mass (Δm) and frequency (Δf) shifts were used to evaluate adsorption properties.

Keywords: nanosensor, HIC, lysozyme, QCM

Procedia PDF Downloads 320

Authors: M. Y. Ismail, M. Inam

Abstract:

This paper presents the design and analysis of Liquid Crystal (LC) based tunable reflectarray antenna with slot embedded patch element configurations within X-band frequency range. The slots are shown to modify the surface current distribution on the patch element of reflectarray which causes the resonant patch element to provide different resonant frequencies depending on the slot dimensions. The simulated results are supported and verified by waveguide scattering parameter measurements of different reflectarray unit cells. Different rectangular slots on patch element have been fabricated and a change in resonant frequency from 10.46GHz to 8.78GHz has been demonstrated as the width of the rectangular slot is varied from 0.2W to 0.6W. The rectangular slot in the center of the patch element has also been utilized for the frequency tunable reflectarray antenna design based on K-15 Nematic LC. For the active reflectarray antenna design, a frequency tunability of 1.2% from 10GHz to 9.88GHz has been demonstrated with a dynamic phase range of 103° provided by the measured scattering parameter results. Time consumed by liquid crystals for reconfiguration, which is one of the drawback of LC based design, has also been disused in this paper.

Keywords: liquid crystal, tunable reflectarray, frequency tunability, dynamic phase range

Procedia PDF Downloads 304

Authors: V. K. Srivastava

Abstract:

Graphene has recently attracted an increasing attention in nanocomposites applications because it has 200 times greater strength than steel, making it the strongest material ever tested. Graphene, as the fundamental two-dimensional (2D) carbon structure with exceptionally high crystal and electronic quality, has emerged as a rapidly rising star in the field of material science. Graphene, as defined, as a 2D crystal, is composed of monolayers of carbon atoms arranged in a honeycombed network with six-membered rings, which is the interest of both theoretical and experimental researchers worldwide. The name comes from graphite and alkene. Graphite itself consists of many graphite-sheets stacked together by weak van der Waals forces. This is attributed to the monolayer of carbon atoms densely packed into honeycomb structure. Due to superior inherent properties of graphene nanoplatelets (GnP) over other nanofillers, GnP particles were added in epoxy resin with the variation of weight percentage. It is indicated that the DMA results of storage modulus, loss modulus and tan δ, defined as the ratio of elastic modulus and imaginary (loss) modulus versus temperature were affected with addition of GnP in the epoxy resin. In epoxy resin, damping (tan δ) is usually caused by movement of the molecular chain. The tan δ of the graphene nanoplatelets/epoxy resin composite is much lower than that of epoxy resin alone. This finding suggests that addition of graphene nanoplatelets effectively impedes movement of the molecular chain. The decrease in storage modulus can be interpreted by an increasing susceptibility to agglomeration, leading to less energy dissipation in the system under viscoelastic deformation. The results indicates the tan δ increased with the increase of temperature, which confirms that tan δ is associated with magnetic field strength. Also, the results show that the nanohardness increases with increase of elastic modulus marginally. GnP filled epoxy resin gives higher value than the epoxy resin, because GnP improves the mechanical properties of epoxy resin. Debonding of GnP is clearly observed in the micrograph having agglomeration of fillers and inhomogeneous distribution. Therefore, DMA and nanohardness studies indiacte that the elastic modulus of epoxy resin is increased with the addition of GnP fillers.

Keywords: agglomeration, elastic modulus, epoxy resin, graphene nanoplatelet, loss modulus, nanohardness, storage modulus

Procedia PDF Downloads 239

Authors: M. Kotobuki, M. Koishi

Abstract:

Li1.5Al0.5Ti1.5 (PO4)3(LATP) has received much attention as a solid electrolyte for lithium batteries. In this study, the LATP solid electrolyte is prepared by the co-precipitation method using Li3PO4 as a Li source. The LATP is successfully prepared and the Li ion conductivities of bulk (inner crystal) and total (inner crystal and grain boundary) are 1.1 × 10-3 and 1.1 × 10-4 S cm-1, respectively. These values are comparable to the reported values, in which Li2C2O4 is used as the Li source. It is conclude that the LATP solid electrolyte can be prepared by the co-precipitation method using Li3PO4 as the Li source and this procedure has an advantage in mass production over previous procedure using Li2C2O4 because Li3PO4 is lower price reagent compared with Li2C2O4.

Keywords: co-precipitation method, lithium battery, NASICON-type electrolyte, solid electrolyte

Procedia PDF Downloads 321

Authors: Phyo Wai Aung, Sysoev Oleg Evgenevich, Boris Necolavet Maryin

Abstract:

The article deals with theoretical problems of correlation of processes of microstructure changes of structural materials under cyclic loading and acoustic emission. The ways of the evolution of a microstructure under the influence of cyclic loading are shown depending on the structure of the initial crystal structure of the material. The spectra of the frequency characteristics of acoustic emission signals are experimentally obtained when testing titanium samples for cyclic loads. Changes in the fractal dimension of the acoustic emission signals in the selected frequency bands during the evolution of the microstructure of structural materials from the action of cyclic loads, as well as in the destruction of samples, are studied. The experimental samples were made of VT-20 structural material widely used in aircraft and rocket engineering. The article shows the striving of structural materials for synergistic stability and reduction of the fractal dimension of acoustic emission signals, in accordance with the degradation of the microstructure, which occurs as a result of fatigue processes from the action of low cycle loads. As a result of the research, the frequency range of acoustic emission signals of 100-270 kHz is determined, in which the fractal dimension of the signals, it is possible to most reliably predict the durability of structural materials.

Keywords: cyclic loadings, material structure changing, acoustic emission, fractal dimension

Procedia PDF Downloads 226

Authors: M. Y. Ismail, M. Inam

Abstract:

This paper presents equivalent circuit modeling of active planar reflectors which can be used for the detailed analysis and characterization of reflector performance in terms of lumped components. Equivalent circuit representation has been proposed for PIN diodes and liquid crystal based active planar reflectors designed within X-band frequency range. A very close agreement has been demonstrated between equivalent circuit results, 3D EM simulated results as well as measured scattering parameter results. In the case of measured results, a maximum discrepancy of 1.05dB was observed in the reflection loss performance, which can be attributed to the losses occurred during measurement process.

Keywords: Equivalent circuit modelling, planar reflectors, reflectarray antenna, PIN diode, liquid crystal

Procedia PDF Downloads 251

Authors: Juiwen Liang, Choliang Chung

Abstract:

In this study, the silicon-base oxide nanofibers with hollow structure were prepared using single-nozzle electrospinning and heat treatment. Firstly, precursor solution was prepared: the Polyvinylpyrrolidone (PVP) and Tetraethyl orthosilicate (TEOS) dissolved in ethanol and to make sure the concentration of solution in appropriate using single-nozzle electrospinning to produce the nanofibers. Secondly, control morphology of the electrostatic spinning nanofibers was conducted, and design the temperature profile to created hollow nanofibers, exploring the morphology and properties of nanofibers. The characterized of nanofibers, following instruments were used: Atomic force microscopy (AFM), Field Emission Scanning Electron Microscope (FE-SEM), Transmission electron microscopy (TEM), Photoluminescence (PL), X-ray Diffraction (XRD). The AFM was used to scan the nanofibers, and 3D Graphics were applied to explore the surface morphology of fibers. FE-SEM and TEM were used to explore the morphology and diameter of nanofibers and hollow nanofiber. The excitation and emission spectra explored by PL. Finally, XRD was used for identified crystallization of ceramic nanofibers. Using electrospinning technique followed by subsequent heat treatment, we have successfully prepared silicon-base oxide nanofibers with hollow structure. Thus, the microstructure and morphology of electrostatic spinning silicon-base oxide hollow nanofibers were explored. Major characteristics of the nanofiber in terms of crystalline, optical properties and crystal structure were identified.

Keywords: electrospinning, single-nozzle, hollow, nanofibers

Procedia PDF Downloads 323

Authors: Kleiner Marques Marra, Tércio Pedrosa

Abstract:

This paper reports the production of uranium-molybdenum alloys, which have been considered promising fuel for test and research nuclear reactors. U-Mo alloys were produced in three molybdenum contents: 5 wt.%, 7 wt.%, and 10 wt.%, using an electric vacuum induction furnace. A boron nitride-coated graphite crucible was employed in the production of the alloys and, after melting, the material was immediately poured into a boron nitride-coated graphite mold. The incorporation of carbon was observed, but it happened in a lower intensity than in the case of the non-coated crucible/mold. It is observed that the carbon incorporation increased and alloys density decreased with Mo addition. It was also noticed that the increase in the carbon or molybdenum content did not seem to change the as-cast structure in terms of granulation. The three alloys presented body-centered cubic crystal structure (g phase), after solidification, besides a seeming negative microsegregation of molybdenum, from the center to the periphery of the grains. There were signs of macrosegregation, from the base to the top of the ingots.

Keywords: uranium-molybdenum alloys, incorporation of carbon, solidification, macrosegregation and microsegregation

Procedia PDF Downloads 112

Authors: Daniela Ailincai, Bogdan C. Simionescu, Luminita Marin

Abstract:

Polymer dispersed liquid crystals (PDLC) represent an interesting class of materials which combine the ability of polymers to form films and their mechanical strength with the opto-electronic properties of liquid crystals. The proper choice of the two components - the liquid crystal and the polymeric matrix - leads to materials suitable for a large area of applications, from electronics to biomedical devices. The objective of our work was to obtain PDLC films with potential applications in the biomedical field, using poly vinyl alcohol boric acid (PVAB) as a polymeric matrix for the first time. Presenting all the tremendous properties of poly vinyl alcohol (such as: biocompatibility, biodegradability, water solubility, good chemical stability and film forming ability), PVAB brings the advantage of containing the electron deficient boron atom, and due to this, it should promote the liquid crystal anchoring and a narrow liquid crystal droplets polydispersity. Two different PDLC systems have been obtained, by the use of two liquid crystals, a nematic commercial one: 4-cyano-4’-penthylbiphenyl (5CB) and a new smectic liquid crystal, synthesized by us: buthyl-p-[p’-n-octyloxy benzoyloxy] benzoate (BBO). The PDLC composites have been obtained by the encapsulation method, working with four different ratios between the polymeric matrix and the liquid crystal, from 60:40 to 90:10. In all cases, the composites were able to form free standing, flexible films. Polarized light microscopy, scanning electron microscopy, differential scanning calorimetry, RAMAN- spectroscopy and the contact angle measurements have been performed, in order to characterize the new composites. The new smectic liquid crystal has been characterized using 1H-NMR and single crystal X-ray diffraction and its thermotropic behavior has been established using differential scanning calorimetry and polarized light microscopy. The polarized light microscopy evidenced the formation of round birefringent droplets, anchored homeotropic in the first case and planar in the second, with a narrow dimensional polydispersity, especially for the PDLC containing the largest amount of liquid crystal, fact evidenced by SEM, also. The obtained values for the water to air contact angle showed that the composites have a proper hydrophilic-hydrophobic balance, making them potential candidates for bioapplications. More than this, our studies demonstrated that the water to air contact angle varies as a function of PVAB matrix crystalinity degree, which can be controled as a function of time. This fact allowed us to conclude that the use of PVAB as matrix for PDLCs obtaining offers the possibility to modulate their properties for specific applications.

Keywords: 4-cyano-4’-penthylbiphenyl, buthyl-p-[p’-n-octyloxy benzoyloxy] benzoate, contact angle, polymer dispersed liquid crystals, poly vinyl alcohol boric acid

Procedia PDF Downloads 422

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

Procedia PDF Downloads 132

Authors: Moustafa Shawkey, Ahmed G. El-Deen, H. M. Mahmoud, M. M. Rashad

Abstract:

Piezoelectric based cement nanocomposite is a promising technology for generating an electric charge upon mechanical stress of concrete structure. Moreover, piezoelectric nanomaterials play a vital role for providing accurate system of structural health monitoring (SHM) of the concrete structure. In light of increasing awareness of environmental protection and energy crises, generating renewable and green energy form cement based on piezoelectric nanomaterials attracts the attention of the researchers. Herein, we introduce a facial synthesis for bismuth ferrite nanoparticles (BiFeO3 NPs) as piezoelectric nanomaterial via sol gel strategy. The fabricated piezoelectric nanoparticles are uniformly distributed to cement-based nanomaterials with different ratios. The morphological shape was characterized by field emission scanning electron microscopy (FESEM) and high-resolution transmission electron microscopy (HR-TEM) as well as the crystal structure has been confirmed using X-ray diffraction (XRD). The ferroelectric and magnetic behaviours of BiFeO3 NPs have been investigated. Then, dielectric constant for the prepared cement samples nanocomposites (εr) is calculated. Intercalating BiFeO3 NPs into cement materials achieved remarkable results as piezoelectric cement materials, distinct enhancement in ferroelectric and magnetic properties. Overall, this present study introduces an effective approach to improve the electrical properties based cement applications.

Keywords: piezoelectric nanomaterials, cement technology, bismuth ferrite nanoparticles, dielectric

Procedia PDF Downloads 214

Authors: Y. Saylan, F. Yılmaz, A. Denizli

Abstract:

Rheumatoid arthritis (RA) which is the most common autoimmune disorder of the body's own immune system attacking healthy cells. RA has both articular and systemic effects.Until now romatiod factor (RF) assay is used the most commonly diagnosed RA but it is not specific. Anti-cyclic citrullinated peptide (anti-CCP) antibodies are IgG autoantibodies which recognize citrullinated peptides and offer improved specificity in early diagnosis of RA compared to RF. Anti-CCP antibodies have specificity for the diagnosis of RA from 91 to 98% and the sensitivity rate of 41-68%. Molecularly imprinted polymers (MIP) are materials that are easy to prepare, less expensive, stable have a talent for molecular recognition and also can be manufactured in large quantities with good reproducibility. Molecular recognition-based adsorption techniques have received much attention in several fields because of their high selectivity for target molecules. Quartz crystal microbalance (QCM) is an effective, simple, inexpensive approach mass changes that can be converted into an electrical signal. The applications for specific determination of chemical substances or biomolecules, crystal electrodes, cover by the thin films for bind or adsorption of molecules. In this study, we have focused our attention on combining of molecular imprinting into nanofilms and QCM nanosensor approaches and producing QCM nanosensor for anti-CCP, chosen as a model protein, using anti-CCP imprinted nanofilms. For this aim, anti-CCP imprinted QCM nanosensor was characterized by Fourier transform infrared spectroscopy, atomic force microscopy, contact angle measurements and ellipsometry. The non-imprinted nanosensor was also prepared to evaluate the selectivity of the imprinted nanosensor. Anti-CCP imprinted QCM nanosensor was tested for real-time detection of anti-CCP from aqueous solution. The kinetic and affinity studies were determined by using anti-CCP solutions with different concentrations. The responses related with mass shifts (Δm) and frequency shifts (Δf) were used to evaluate adsorption properties and to calculate binding (Ka) and dissociation (Kd) constants. To show the selectivity of the anti-CCP imprinted QCM nanosensor, competitive adsorption of anti-CCP and IgM was investigated.The results indicate that anti-CCP imprinted QCM nanosensor has a higher adsorption capabilities for anti-CCP than for IgM, due to selective cavities in the polymer structure.

Keywords: anti-CCP, molecular imprinting, nanosensor, rheumatoid arthritis, QCM

Procedia PDF Downloads 333

Authors: Saleh Gorji, Sahil Gulati, Ana Pakzad

Abstract:

Continuous electron diffraction tomography, also known as microcrystal electron diffraction (MicroED) or three-dimensional electron diffraction (3DED), is a powerful technique, which in combination with cryo-electron microscopy (cryo-ED), can provide atomic-scale 3D information about the crystal structure and composition of different classes of crystalline materials such as proteins, peptides, and small molecules. Unlike the well-established X-ray crystallography method, 3DED does not require large single crystals and can collect accurate electron diffraction data from crystals as small as 50 – 100 nm. This is a critical advantage as growing larger crystals, as required by X-ray crystallography methods, is often very difficult, time-consuming, and expensive. In most cases, specimens studied via 3DED method are electron beam sensitive, which means there is a limitation on the maximum amount of electron dose one can use to collect the required data for a high-resolution structure determination. Therefore, collecting data using a conventional scintillator-based fiber coupled camera brings additional challenges. This is because of the inherent noise introduced during the electron-to-photon conversion in the scintillator and transfer of light via the fibers to the sensor, which results in a poor signal-to-noise ratio and requires a relatively higher and commonly specimen-damaging electron dose rates, especially for protein crystals. As in other cryo-EM techniques, damage to the specimen can be mitigated if a direct detection camera is used which provides a high signal-to-noise ratio at low electron doses. In this work, we have used two classes of such detectors from Gatan, namely the K3® camera (a monolithic active pixel sensor) and Stela™ (that utilizes DECTRIS hybrid-pixel technology), to address this problem. The K3 is an electron counting detector optimized for low-dose applications (like structural biology cryo-EM), and Stela is also a counting electron detector but optimized for diffraction applications with high speed and high dynamic range. Lastly, data collection workflows, including crystal screening, microscope optics setup (for imaging and diffraction), stage height adjustment at each crystal position, and tomogram acquisition, can be one of the other challenges of the 3DED technique. Traditionally this has been all done manually or in a partly automated fashion using open-source software and scripting, requiring long hours on the microscope (extra cost) and extensive user interaction with the system. We have recently introduced Latitude® D in DigitalMicrograph® software, which is compatible with all pre- and post-energy-filter Gatan cameras and enables 3DED data acquisition in an automated and optimized fashion. Higher quality 3DED data enables structure determination with higher confidence, while automated workflows allow these to be completed considerably faster than before. Using multiple examples, this work will demonstrate how to direct detection electron counting cameras enhance 3DED results (3 to better than 1 Angstrom) for protein and small molecule structure determination. We will also show how Latitude D software facilitates collecting such data in an integrated and fully automated user interface.

Keywords: continuous electron diffraction tomography, direct detection, diffraction, Latitude D, Digitalmicrograph, proteins, small molecules

Procedia PDF Downloads 54

Authors: Anatoly A. Kuznetsov, Pavel G. Berezhko, Sergey M. Kunavin, Eugeny V. Zhilkin, Maxim V. Tsarev, Vyacheslav V. Yaroshenko, Valery V. Mokrushin, Olga Y. Yunchina, Sergey A. Mityashin

Abstract:

The acoustic emission is caused by short-time propagation of elastic waves that are generated as a result of quick energy release from sources localized inside some material. In particular, the acoustic emission phenomenon lies in the generation of acoustic waves resulted from the reconstruction of material internal structures. This phenomenon is observed at various physicochemical transformations, in particular, at those accompanying hydrogenation processes of metals or intermetallic compounds that make it possible to study parameters of these transformations through recording and analyzing the acoustic signals. It has been known that at the interaction between metals or inter metallides with hydrogen the most intensive acoustic signals are generated as a result of cracking or crumbling of an initial compact powder sample as a result of the change of material crystal structure under hydrogenation. This work is dedicated to the study into changes occurring in metallic titanium samples at their interaction with hydrogen and followed by acoustic emission signals. In this work the subjects for investigation were specimens of metallic titanium in two various initial forms: titanium sponge and fine titanium powder made of this sponge. The kinetic of the interaction of these materials with hydrogen, the acoustic emission signals accompanying hydrogenation processes and the structure of the materials before and after hydrogenation were investigated. It was determined that in both cases interaction of metallic titanium and hydrogen is followed by acoustic emission signals of high amplitude generated on reaching some certain value of the atomic ratio [H]/[Ti] in a solid phase because of metal cracking at a macrolevel. The typical sizes of the cracks are comparable with particle sizes of hydrogenated specimens. The reasons for cracking are internal stresses initiated in a sample due to the increasing volume of a solid phase as a result of changes in a material crystal lattice under hydrogenation. When the titanium powder is used, the atomic ratio [H]/[Ti] in a solid phase corresponding to the maximum amplitude of an acoustic emission signal are, as a rule, higher than when titanium sponge is used.

Keywords: acoustic emission signal, cracking, hydrogenation, titanium specimen

Procedia PDF Downloads 350

Authors: Wen-Shyong Tzou, Chih-Ching Huang, Chin-Hwa Hu, Ying-Tsang Lo, Tun-Wen Pai, Chia-Yin Chiang, Chung-Hao Li, Hong-Jyuan Jian

Abstract:

Plasmin plays an important role in the human circulatory system owing to its catalytic ability of fibrinolysis. The immediate injection of plasmin in patients of strokes has intrigued many scientists to design vectors that can transport plasmin to the desired location in human body. Here we predict the structure of human plasmin and investigate the interaction of plasmin with the gold-nanoparticle. Because the crystal structure of plasminogen has been solved, we deleted N-terminal domain (Pan-apple domain) of plasminogen and generate a mimic of the active form of this enzyme (plasmin). We conducted a simulated annealing process on plasmin and discovered a very large conformation occurs. Kringle domains 1, 4 and 5 had been observed to leave its original location relative to the main body of the enzyme and the original doughnut shape of this enzyme has been transformed to a V-shaped by opening its two arms. This observation of conformational change is consistent with the experimental results of neutron scattering and centrifugation. We subsequently docked the plasmin on the simulated gold surface to predict their interaction. The V-shaped plasmin could utilize its Kringle domain and catalytic domain to contact the gold surface. Our findings not only reveal the flexibility of plasmin structure but also provide a guide for the design of a plasmin-gold nanoparticle.

Keywords: docking, gold nanoparticle, molecular simulation, plasmin

Procedia PDF Downloads 447

Authors: Shabbir Chowdhury

Abstract:

A signal is broadened when it is gone through a channel, this phenomenon is known as dispersion. And dispersion is different for different wavelength. So bandwidth become limited. Research have tried to design an optical fiber with flattened dispersion to use more bandwidth and also for wavelength division multiplexing. In this paper, a single mode photonic crystal fiber with a flattened dispersion and less effective area has been proposed where silica is used as fiber materials. The effective dispersion varies from -1.996 to 0.1783 [ps/(nm-km)] for enter E-band to U-band. This fiber will take only 3.048 [micrometer^2] (for 1.75 micrometer wavelength). Silica is being used as the fiber material.

Keywords: photonic crystal fiber, dispersion, bandwidth, chromatic dispersion, effective dispersion, dispersion compensation, effective area, effective refractive index

Procedia PDF Downloads 377

Authors: Jae Moon Im, Kwang Bok Shin, Sang Woo Lee

Abstract:

In this paper, evaluation of structural integrity for composite lattice structure was conducted by compressive test. Composite lattice structure was manufactured by carbon fiber using filament winding method. In order to evaluate the structural integrity of composite lattice structure, compressive test was done using anti-buckling fixture. The delamination occurred 84 Tons of compressive load. It was found that composite lattice structure satisfied the design requirements.

Keywords: composite material, compressive test, lattice structure, structural integrity

Procedia PDF Downloads 458

Authors: Wen-Jay Lee, Kuo-Ning Chiang

Abstract:

The graphene binding with silicon substrate has apparently Schottky barriers property, which can be used in the application of solar cell and light source. Because graphene has only one atom layer, the atomistic structure of graphene binding with the silicon surface plays an important role to affect the properties of graphene. In this work, temperature effect on the morphology of graphene sheet attached on different crystal planes of silicon substrates are investigated by Molecular dynamics (MD) (LAMMPS, developed by Sandia National Laboratories). The results show that the covered graphene sheet would cause the structural deformation of the surface Si atoms of stubtrate. To achieve a stable state in the binding process, the surface Si atoms would adjust their position and fit the honeycomb structure of graphene after the graphene attaches to the Si surface. The height contour of graphene on different plane of silicon surfaces presents different pattern, leading the local residual stress at the interface. Due to the high density of dangling bond on the Si (111)7x7 surface, the surface of Si(111)7x7 is not matching with the graphene so well in contrast with Si(100)2x1and Si(111)2x1. Si(111)7x7 is found that only partial silicon adatoms are rearranged on surface after the attachment when the temperature is lower than 200K, As the temperature gradually increases, the deformation of surface structure becomes significant, as well as the residue stress. With increasing temperature till the 815K, the graphene sheet begins to destroy and mixes with the silicon atoms. For the Si(100)2x1 and Si(111)2x1, the silicon surface structure keep its structural arrangement with a higher temperature. With increasing temperature, the residual stress gradually decrease till a critical temperatures. When the temperature is higher than the critical temperature, the residual stress gradually increases and the structural deformation is found on the surface of the Si substrates.

Keywords: molecular dynamics, graphene, silicon, Schottky barriers, interface

Procedia PDF Downloads 288

Authors: B. Bahloul, K. Babesse, A. Dkhira, Y. Bahloul, L. Amirouche

Abstract:

Structural and electronic properties of the rock-salt BaxSr1−xS are calculated using the first-principles calculations based on the density functional theory (DFT) within the generalized gradient approximation (GGA), the local density approximation (LDA) and the virtual-crystal approximation (VCA). The calculated lattice parameters at equilibrium volume for x=0 and x=1 are in good agreement with the literature data. The BaxSr1−xS alloys are found to be an indirect band gap semiconductor. Moreoever, for the composition (x) ranging between [0-1], we think that our results are well discussed and well predicted.

Keywords: semiconductor, Ab initio calculations, rocksalt, band structure, BaxSr1−xS

Procedia PDF Downloads 362

Authors: R. Furutani, G. Kikuchi

Abstract:

Generally, the optical interferometer system is too complicated and difficult to change the measurement items, pitch, yaw, and row, etc. In this article, the optical interferometer system using the transmissive Liquid Crystal Device (LCD) as the switch of the optical path was proposed. At first, the normal optical interferometer, Michelson interferometer, was constructed to measure the pitch angle and the yaw angle. In this optical interferometer, the ball lenses with the refractive indices of 2.0 were used as the retroreflectors. After that, the transmissive LCD was introduced as the switch to select the adequate optical path. In this article, these optical systems were constructed. Pitch measurement interferometer and yaw measurement interferometer were switched by the transmissive LCD. When the LCD was open for the yaw measurement, the yaw was sufficiently measured and optical path for the pitch measurement was blocked. On the other hand, when the LCD was open for the pitch measurement, the pitch was measured and the optical path for the yaw measurement was also blocked. In this article, the results of both of pitch measurement and yaw measurement were shown, and the result of blocked yaw measurement and pitch measurement were shown. As this measurement system was based on Michelson interferometer, the other measuring items, the deviation along the optical axis, the vertical deviation to the optical axis and row angle, could be measured by the additional ball lenses and the additional switching in future work.

Keywords: any direction angle, ball lens, laser interferometer, transmissive liquid crystal device

Procedia PDF Downloads 116

Authors: Tabrej Khan

Abstract:

Examination Scheduling System (ESS) is a scheduling system that targets as an exam committee in any academic institute to help them in managing the exams automatically. We present an algorithm for Examination Scheduling System. Nowadays, many universities have challenges with creating examination schedule fast with less confliction compared to hand works. Our aims are to develop a computerized system that can be used in examination scheduling in an academic institute versus available resources (Time, Hall, Invigilator and instructor) with no contradiction and achieve fairness among students. ESS was developed using HTML, C# language, Crystal Report and ASP.NET through Microsoft Visual Studio 2010 as developing tools with integrated SQL server database. This application can produce some benefits such as reducing the time spent in creating an exam schedule and achieving fairness among students

Keywords: examination scheduling system (ESS), algorithm, ASP.NET, crystal report

Procedia PDF Downloads 360

Authors: Redrisse Djoumessi Fobasso, Baidyanath Sahu, Andre M. Strydom

Abstract:

The R₂TX₃ (R = rare-earth, T = transition, and X = s and p block element) series of compounds are interesting owing to their fascinating structural and magnetic properties. In this present work, we have studied the magnetic and physical properties of the new Gd₂AgSi₃ polycrystalline compound. The sample was synthesized by the arc-melting method and confirmed to crystallize in the tetragonal α-ThSi₂-type crystal structure with space group I4/amd. Dc– and ac–magnetic susceptibility, specific heat, electrical resistivity, and magnetoresistance measurements were performed on the new compound. The structure provides a unique position in the unit cell for the magnetic trivalent Gd ion. Two magnetic phase transitions were consistently found in dc- and ac-magnetic susceptibility, heat capacity, and electrical resistivity at temperatures Tₙ₁ = 11 K and Tₙ₂ = 20 K, which is an indication of the complex magnetic behavior in this compound. The compound is found to be metamagnetic over a range of temperatures below and above Tₙ₁. From field-dependent electrical resistivity, it is confirmed that the compound shows unusual negative magnetoresistance in the antiferromagnetically ordered region. These results contribute to a better understanding of this class of materials.

Keywords: complex magnetic behavior, metamagnetic, negative magnetoresistance, two magnetic phase transitions

Procedia PDF Downloads 83

Authors: Ghazala Anjum, Farooq Hussain Bhat, Ravi Kumar

Abstract:

Multiferroic materials are vital for new application and memory devices, not only because of the presence of multiple types of domains but also as a result of cross correlation between coexisting forms of magnetic and electrical orders. In spite of wide studies done on multiferroic bulk ceramic materials their realization in thin film form is yet limited due to some crucial problems. During the last few years, special attention has been devoted to synthesis of thin films like of BiFeO₃. As they allow direct integration of the material into the device technology. Therefore owing to the process of exploration of new multiferroic thin films, preparation, and characterization of La₀.₈Bi₀.₂Fe₀.₇Mn₀.₃O₃ (LBFMO3) thin film on LaAlO₃ (LAO) substrate with LaNiO₃ (LNO) being the buffer layer has been done. The fact that all the electrical and magnetic properties are closely related to the electronic structure makes it inevitable to study the electronic structure of system under study. Without the knowledge of this, one may never be sure about the mechanism responsible for different properties exhibited by the thin film. Literature review reveals that studies on change in atomic and the hybridization state in multiferroic samples are still insufficient except few. The technique of x-ray absorption (XAS) has made great strides towards the goal of providing such information. It turns out to be a unique signature to a given material. In this milieu, it is time honoured to have the electronic structure study of the elements present in the LBFMO₃ multiferroic thin film on LAO substrate with buffer layer of LNO synthesized by RF sputtering technique. We report the electronic structure studies of well characterized LBFMO3 multiferroic thin film on LAO substrate with LNO as buffer layer using near-edge X-ray absorption fine structure (NEXAFS). Present exploration has been performed to find out the valence state and crystal field symmetry of ions present in the system. NEXAFS data of O K- edge spectra reveals a slight shift in peak position along with growth in intensities of low energy feature. Studies of Mn L₃,₂- edge spectra indicates the presence of Mn³⁺/Mn⁴⁺ network apart from very small contribution from Mn²⁺ ions in the system that substantiates the magnetic properties exhibited by the thin film. Fe L₃,₂- edge spectra along with spectra of reference compound reveals that Fe ions are present in +3 state. Electronic structure and valence state are found to be in accordance with the magnetic properties exhibited by LBFMO/LNO/LAO thin film.

Keywords: magnetic, multiferroic, NEXAFS, x-ray absorption fine structure, XMCD, x-ray magnetic circular dichroism

Procedia PDF Downloads 122

Authors: Salima Tabti, Chaima Maouche, Tinhinene Louaileche, Amel Djedouani, Ismail Warad

Abstract:

Novel Schiff base ligand HL has been synthesized by condensation of aromatic amine and DHA. It was characterized by UV-Vis, FT-IR, SM, NMR (1H, 13C) and also by single-crystal X-ray diffraction. The crystal structure shows that compound crystallized in a triclinic system in P-1 space group and with a two unit per cell (Z = 2).The asymmetric unit, contains one independent molecules, the conformation is determined by an intermolecular N-H…O hydrogen bond with an S(6) ring motif. The molecule have an (E) conformation about the C=N bond. The dihedral angles between the phenyl and pyran ring planes is 89.37 (1), the two plans are approximately perpendicular. The catecholase activity of is situ copper complexes of this ligand has been investigated against catechol. The progress of the oxidation reactions was closely monitored over time following the strong peak of catechol using UV-Vis. Oxidation rates were determined from the initial slope of absorbance. time plots, then analyzed by Michaelis-Menten equations. Catechol oxidation reactions were realized using different concentrations of copper acetate and ligand (L/Cu: 1/1, 1/2, 2/1). The results show that all complexes were able to catalyze the oxidation of catechol. Acetate complexes have the highest activity. Catalysis is a branch of chemical kinetics that, more generally, studies the influence of all physical or chemical factors determining reaction rates. It solves a lot of problems in the chemistry reaction process, especially for a green, economic and less polluting chemistry. For this reason, the search for new catalysts for known organic reactions, occupies a very advanced place in the themes proposed by the chemists.

Keywords: dehydroacetic acid, catechol, copper, catecholase activity, x-ray

Procedia PDF Downloads 66

Authors: Bilal Saoud

Abstract:

In this paper, we propose a new method to find the community structure in networks. Our method is based on bee colony and the maximization of modularity to find the community structure. We use a bee colony algorithm to find the first community structure that has a good value of modularity. To improve the community structure, that was found, we merge communities until we get a community structure that has a high value of modularity. We provide a general framework for implementing our approach. We tested our method on computer-generated and real-world networks with a comparison to very known community detection methods. The obtained results show the effectiveness of our proposition.

Keywords: bee colony, networks, modularity, normalized mutual information

Procedia PDF Downloads 373

Authors: Ruby Priya, Om Parkash Pandey

Abstract:

Eu doped Gd₂O₃ phosphors are synthesized via co-precipitation method using ammonia as a precipitating agent. The concentration of the Eu was set as 4 mol% for all the samples. The effect of the surfactants (CTAB, PEG, and SDS) on the structural, morphological and luminescent properties has been studied in details. The as-synthesized phosphors were characterized by X-ray diffraction technique, Field emission scanning electron microscopy, Fourier transformed infrared spectroscopy and photoluminescence technique. It was observed that the surfactants have not changed the crystal structure, but influenced the morphology of as-synthesized phosphors to a great extent. The as-synthesized phosphors are expected to be promising candidates for optoelectronic devices, biosensors, MRI contrast agents and various biomedical applications.

Keywords: co-precipitation, Europium, photoluminescence, surfactants

Procedia PDF Downloads 150