Search results for: hcp crystal
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 667

Search results for: hcp crystal

667 Performances of the Double-Crystal Setup at CERN SPS Accelerator for Physics beyond Colliders Experiments

Authors: Andrii Natochii

Abstract:

We are currently presenting the recent results from the CERN accelerator facilities obtained in the frame of the UA9 Collaboration. The UA9 experiment investigates how a tiny silicon bent crystal (few millimeters long) can be used for various high-energy physics applications. Due to the huge electrostatic field (tens of GV/cm) between crystalline planes, there is a probability for charged particles, impinging the crystal, to be trapped in the channeling regime. It gives a possibility to steer a high intensity and momentum beam by bending the crystal: channeled particles will follow the crystal curvature and deflect on the certain angle (from tens microradians for LHC to few milliradians for SPS energy ranges). The measurements at SPS, performed in 2017 and 2018, confirmed that the protons deflected by the first crystal, inserted in the primary beam halo, can be caught and channeled by the second crystal. In this configuration, we measure the single pass deflection efficiency of the second crystal and prove our opportunity to perform the fixed target experiment at SPS accelerator (LHC in the future).

Keywords: channeling, double-crystal setup, fixed target experiment, Timepix detector

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666 Carbamazepine Co-crystal Screening with Dicarboxylic Acids Co-Crystal Formers

Authors: S. Abd Rahim, F. A. Rahman, E. M. Nasir, N. A. Ramle

Abstract:

Co-crystal is believed to improve the solubility and dissolution rates and thus, enhanced the bioavailability of poor water soluble drugs particularly during the oral route of administration. With the existing of poorly soluble drugs in pharmaceutical industry, the screening of co-crystal formation using carbamazepine (CBZ) as a model drug compound with dicarboxylic acids co-crystal formers (CCF) namely fumaric (FA) and succinic (SA) acids in ethanol has been studied. The co-crystal formations were studied by varying the mol ratio values of CCF to CBZ to access the effect of CCF concentration on the formation of the co-crystal. Solvent evaporation, slurry, and cooling crystallisations which representing the solution based method co-crystal screening were used. The product crystal from the screening was characterized using X-ray powder diffraction (XRPD). The XRPD pattern profile analysis has shown that the CBZ co-crystals with FA and SA were successfully formed for all ratios studied. The findings revealed that CBZ-FA co-crystal were formed in two different polymorphs. It was found that CBZ-FA form A and form B were formed from evaporation and slurry crystallisation methods respectively. On the other hand, in cooling crystallisation method, CBZ-FA form A was formed at lower mol ratio of CCF to CBZ and vice versa. This study disclosed that different methods and mol ratios during the co-crystal screening can affect the outcome of co-crystal produced such as polymorphic forms of co-crystal and thereof. Thus, it was suggested that careful attentions is needed during the screening since the co-crystal formation is currently one of the promising approach to be considered in research and development for pharmaceutical industry to improve the poorly soluble drugs.

Keywords: co-crystal, dicarboxylic acid, carbamazepine, industry

Procedia PDF Downloads 356
665 Model Predictive Control Using Thermal Inputs for Crystal Growth Dynamics

Authors: Takashi Shimizu, Tomoaki Hashimoto

Abstract:

Recently, crystal growth technologies have made progress by the requirement for the high quality of crystal materials. To control the crystal growth dynamics actively by external forces is useuful for reducing composition non-uniformity. In this study, a control method based on model predictive control using thermal inputs is proposed for crystal growth dynamics of semiconductor materials. The control system of crystal growth dynamics considered here is governed by the continuity, momentum, energy, and mass transport equations. To establish the control method for such thermal fluid systems, we adopt model predictive control known as a kind of optimal feedback control in which the control performance over a finite future is optimized with a performance index that has a moving initial time and terminal time. The objective of this study is to establish a model predictive control method for crystal growth dynamics of semiconductor materials.

Keywords: model predictive control, optimal control, process control, crystal growth

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664 A Closed-Form Solution and Comparison for a One-Dimensional Orthorhombic Quasicrystal and Crystal Plate

Authors: Arpit Bhardwaj, Koushik Roy

Abstract:

The work includes derivation of the exact-closed form solution for simply supported quasicrystal and crystal plates by using propagator matrix method under surface loading and free vibration. As a numerical example a quasicrystal and a crystal plate are considered, and after investigation, the variation of displacement and stress fields along the thickness of these two plates are presented. Further, it includes analyzing the displacement and stress fields for two plates having two different stacking arrangement, i.e., QuasiCrystal/Crystal/QuasiCrystal and Crystal/QuasiCrystal/Crystal and comparing their results. This will not only tell us the change in the behavior of displacement and stress fields in two different materials but also how these get changed after trying their different combinations. For the free vibration case, Crystal and Quasicrystal plates along with their different stacking arrangements are considered, and displacements are plotted in all directions for different Mode Shapes.

Keywords: free vibration, multilayered plates, surface loading, quasicrystals

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663 Texture Observation of Bending by XRD and EBSD Method

Authors: Takashi Sakai, Yuri Shimomura

Abstract:

The crystal orientation is a factor that affects the microscopic material properties. Crystal orientation determines the anisotropy of the polycrystalline material. And it is closely related to the mechanical properties of the material. In this paper, for pure copper polycrystalline material, two different methods; X-Ray Diffraction (XRD) and Electron Backscatter Diffraction (EBSD); and the crystal orientation were analyzed. In the latter method, it is possible that the X-ray beam diameter is thicker as compared to the former, to measure the crystal orientation macroscopically relatively. By measurement of the above, we investigated the change in crystal orientation and internal tissues of pure copper.

Keywords: bending, electron backscatter diffraction, X-ray diffraction, microstructure, IPF map, orientation distribution function

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662 The Catalytic Activity of CU2O Microparticles

Authors: Kanda Wongwailikhit

Abstract:

Copper (I) oxide microparticles with the morphology of cubic and hollow sphere were synthesized with the assistance of a surfactant as the shape controller. Both particles were then subjected to a study of the catalytic activity and the results of shape effects of catalysts on rate of catalytic reaction was observed. The decolorizing reaction of crystal violet and sodium hydroxide was chosen and the decrease of reactant with respect to time was measured using a spectrophotometer. The result revealed that morphology of the crystal had no effect on the catalytic activity for the crystal violet reaction but contributed to total surface area predominantly.

Keywords: copper (I) oxide, catalytic activity, crystal violet

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661 Applying the Crystal Model Approach on Light Nuclei for Calculating Radii and Density Distribution

Authors: A. Amar

Abstract:

A new model, namely the crystal model, has been modified to calculate the radius and density distribution of light nuclei up to ⁸Be. The crystal model has been modified according to solid-state physics, which uses the analogy between nucleon distribution and atoms distribution in the crystal. The model has analytical analysis to calculate the radius where the density distribution of light nuclei has obtained from analogy of crystal lattice. The distribution of nucleons over crystal has been discussed in a general form. The equation that has been used to calculate binding energy was taken from the solid-state model of repulsive and attractive force. The numbers of the protons were taken to control repulsive force, where the atomic number was responsible for the attractive force. The parameter has been calculated from the crystal model was found to be proportional to the radius of the nucleus. The density distribution of light nuclei was taken as a summation of two clusters distribution as in ⁶Li=alpha+deuteron configuration. A test has been done on the data obtained for radius and density distribution using double folding for d+⁶,⁷Li with M3Y nucleon-nucleon interaction. Good agreement has been obtained for both the radius and density distribution of light nuclei. The model failed to calculate the radius of ⁹Be, so modifications should be done to overcome discrepancy.

Keywords: nuclear physics, nuclear lattice, study nucleus as crystal, light nuclei till to ⁸Be

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660 Phase Diagram Including a Negative Pressure Region for a Thermotropic Liquid Crystal in a Metal Berthelot Tube

Authors: K. Hiro, T. Wada

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Thermodynamic properties of liquids under negative pressures are interesting and important in fields of scienceand technology. Here, phase transitions of a thermotropic liquid crystal are investigatedin a range from positive to negative pressures with a metal Berthelot tube using a commercial pressure transducer.Two co-existinglines, namely crystal (Kr) – nematic (N), and isotropic liquid (I) - nematic (N) lines, weredrawn in a pressure - temperature plane. The I-N line was drawn to ca. -5 (MPa).

Keywords: Berthelot method, liquid crystal, negative pressure, phase transitions

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659 Synthesis and Crystal Structure of a Cu(II) Complex of a Pyridine-Naphthoimidazole-Based Ligand

Authors: Shuang Zhao, Shintaro Ito, Yoshihiro Ohba, Hiroshi Katagiri

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We present the synthesis and single-crystal X-ray crystallography of a Cu(II) complex(bmn-bpy) of a pyridine-naphthoimidazole-based ligand containing two naphthoimidazoles as the chromophores and a vacant coordination site on Cu(II).

Keywords: synthesis, Cu(II) complex, single-crystal X-ray crystallography

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658 Applying the Crystal Model to Different Nuclear Systems

Authors: A. Amar

Abstract:

The angular distributions of the nuclear systems under consideration have been analyzed in the framework of the optical model (OM), where the real part was taken in the crystal model form. A crystal model (CM) has been applied to deuteron elastically scattered by ⁶,⁷Li and ⁹Be. A crystal model (CM) + distorted-wave Born approximation (DWBA) + dynamic polarization potential (DPP) potential has been applied to deuteron elastically scattered by ⁶,⁷Li and 9Be. Also, a crystal model has been applied to ⁶Li elastically scattered by ¹⁶O and ²⁸Sn in addition to the ⁷Li+⁷Li system and the ¹²C(alpha,⁸Be) ⁸Be reaction. The continuum-discretized coupled-channels (CDCC) method has been applied to the ⁷Li+⁷Li system and agreement between the crystal model and the continuum-discretized coupled-channels (CDCC) method has been observed. In general, the models succeeded in reproducing the differential cross sections at the full angular range and for all the energies under consideration.

Keywords: optical model (OM), crystal model (CM), distorted-wave born approximation (DWBA), dynamic polarization potential (DPP), the continuum-discretized coupled-channels (CDCC) method, and deuteron elastically scattered by ⁶, ⁷Li and ⁹Be

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657 Effect of Chemical Additive on Fixed Abrasive Polishing of LBO Crystal with Non-Water Based Slurry

Authors: Jun Li, Wenze Wang, Zhanggui Hu, Yongwei Zhu, Dunwen Zuo

Abstract:

Non-water based fixed abrasive polishing was adopted to manufacture LBO crystal for nano precision surface quality because of its deliquescent. Ethyl alcohol was selected as the non-water based slurry solvent and ethanediamine, lactic acid, hydrogen peroxide were add in the slurry as a chemical additive, respectively. Effect of different additives with non-water based slurry on material removal rate, surface topography, microscopic appearances and surface roughness were investigated in fixed abrasive polishing of LBO crystal. The results show the best surface quality of LBO crystal with surface roughness Sa 8.2 nm and small damages was obtained by non-water based slurry with lactic acid. Non-water based fixed abrasive polishing can achieve nano precision surface quality of LBO crystal with high material removal.

Keywords: non-water based slurry, LBO crystal, fixed abrasive polishing, surface roughness

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656 The Effect of the Crystal Field Interaction on the Critical Temperatures and the Sublattice Magnetizations of a Mixedspin-3/2 and Spin-5/2 Ferromagnetic System

Authors: Fathi Abubrig, Mohamed Delfag, Suad Abuzariba

Abstract:

The influence of the crystal field interactions on the mixed spin-3/2 and spin-5/2 ferromagnetic Ising system is considered by using the mean field theory based on Bogoliubov inequality for the Gibbs free energy. The ground-state phase diagram is constructed, the phase diagrams of the second-order critical temperatures are obtained, and the thermal variation of the sublattice magnetizations is investigated in detail. We find some interesting phenomena for the sublattice magnetizations at particular values of the crystal field interactions.

Keywords: crystal field, Ising system, ferromagnetic, magnetization, phase diagrams

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655 Sorption of Crystal Violet from Aqueous Solution Using Chitosan−Charcoal Composite

Authors: Kingsley Izuagbe Ikeke, Abayomi O. Adetuyi

Abstract:

The study investigated the removal efficiency of crystal violet from aqueous solution using chitosan-charcoal composite as adsorbent. Deproteination was carried out by placing 200g of powdered snail shell in 4% w/v NaOH for 2hours. The sample was then placed in 1% HCl for 24 hours to remove CaCO3. Deacetylation was done by boiling in 50% NaOH for 2hours. 10% Oxalic acid was used to dissolve the chitosan before mixing with charcoal at 55°C to form the composite. The composite was characterized by Fourier Transform Infra-Red and Scanning Electron Microscopy measurements. The efficiency of adsorption was evaluated by varying pH of the solution, contact time, initial concentration and adsorbent dose. Maximum removal of crystal violet by composite and activated charcoal was attained at pH10 while maximum removal of crystal violet by chitosan was achieved at pH 8. The results showed that adsorption of both dyes followed the pseudo-second-order rate equation and fit the Langmuir and Freundlich isotherms. The data showed that composite was best suited for crystal violet removal and also did relatively well in the removal of alizarin red. Thermodynamic parameters such as enthalpy change (ΔHº), free energy change (ΔGº) and entropy change (ΔSº) indicate that adsorption process of Crystal Violet was endothermic, spontaneous and feasible respectively.

Keywords: crystal violet, chitosan−charcoal composite, extraction process, sorption

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654 Propagation of Cos-Gaussian Beam in Photorefractive Crystal

Authors: A. Keshavarz

Abstract:

A physical model for guiding the wave in photorefractive media is studied. Propagation of cos-Gaussian beam as the special cases of sinusoidal-Gaussian beams in photorefractive crystal is simulated numerically by the Crank-Nicolson method in one dimension. Results show that the beam profile deforms as the energy transfers from the center to the tails under propagation. This simulation approach is of significant interest for application in optical telecommunication. The results are presented graphically and discussed.

Keywords: beam propagation, cos-Gaussian beam, numerical simulation, photorefractive crystal

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653 The Gradient Complex Protective Coatings for Single Crystal Nickel Alloys

Authors: Evgeniya Popova, Vladimir Lesnikov, Nikolay Popov

Abstract:

High yield complex coatings have been designed for thermally stressed cooled HP turbine blades from single crystal alloys ZHS32-VI-VI and ZHS36 with crystallographic orientation [001]. These coatings provide long-term protection of single crystal blades during operation. The three-layer coatings were prepared as follows: the diffusion barrier layer formation on the alloy surface, the subsequent deposition of the condensed bilayer coatings consisting of an inner layer based on Ni-Cr-Al-Y systems and an outer layer based on the alloyed β-phase. The structure, phase composition of complex coatings and reaction zone interaction with the single-crystal alloys ZHS32-VI and ZHS36-VI were investigated using scanning electron microscope (SEM). The effect of complex protective coatings on the properties of heat-resistant nickel alloys was studied.

Keywords: single crystal nickel alloys, complex heat-resistant coatings, structure, phase composition, properties

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652 A Crystal Plasticity Approach to Model Dynamic Strain Aging

Authors: Burak Bal, Demircan Canadinc

Abstract:

Dynamic strain aging (DSA), resulting from the reorientation of C-Mn clusters in the core of dislocations, can provide a strain hardening mechanism. In addition, in Hadfield steel, negative strain rate sensitivity is observed due to the DSA. In our study, we incorporated dynamic strain aging onto crystal plasticity computations to predict the local instabilities and corresponding negative strain rate sensitivity. Specifically, the material response of Hadfield steel was obtained from monotonic and strain-rate jump experiments under tensile loading. The strain rate range was adjusted from 10⁻⁴ to 10⁻¹s ⁻¹. The crystal plasticity modeling of the material response was carried out based on Voce-type hardening law and corresponding Voce hardening parameters were determined. The solute pinning effect of carbon atom was incorporated to crystal plasticity simulations at microscale level by computing the shear stress contribution imposed on an arrested dislocation by carbon atom. After crystal plasticity simulations with modifying hardening rule, which takes into account the contribution of DSA, it was seen that the model successfully predicts both the role of DSA and corresponding strain rate sensitivity.

Keywords: crystal plasticity, dynamic strain aging, Hadfield steel, negative strain rate sensitivity

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651 A Supramolecular Cocrystal of 2-Amino-4-Chloro-6-Methylpyrimidine with 4-Methylbenzoic Acid: Synthesis, Structural Determinations and Quantum Chemical Investigations

Authors: Nuridayanti Che Khalib, Kaliyaperumal Thanigaimani, Suhana Arshad, Ibrahim Abdul Razak

Abstract:

The 1:1 co-crystal of 2-amino-4-chloro-6-methylpyrimidine (2A4C6MP) with 4-methylbenzoic acid (4MBA) (I) has been prepared by slow evaporation method in methanol, which was crystallized in monoclinic C2/c space group, Z = 8, a = 28.431 (2) Å, b = 7.3098 (5) Å, c = 14.2622 (10) Å, and β = 109.618 (3)°. The presence of unionized –COOH functional group in co-crystal I was identified both by spectral methods (1H and 13C NMR, FTIR) and X-ray diffraction structural analysis. The 2A4C6MP molecule interact with the carboxylic group of the respective 4MBA molecule through N—H⋯O and O—H⋯N hydrogen bonds, forming a cyclic hydrogen –bonded motif R22(8). The crystal structure was stabilized by Npyrimidine-H⋯O=C and C=O-H⋯Npyrimidine types hydrogen bonding interactions. Theoretical investigations have been computed by HF and density function (B3LYP) method with 6-311+G(d,p) basis set. The vibrational frequencies together with 1H and 13C NMR chemical shifts have been calculated on the fully optimized geometry of co-crystal I. Theoretical calculations are in good agreement with the experimental results. Solvent-free formation of this co-crystal I is confirmed by powder X-ray diffraction analysis.

Keywords: supramolecular co-crystal, 2-amino-4-chloro-6-methylpyrimidine, Harthree-Fock and DFT studies, spectroscopic analysis

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650 Hybrid Method Development for the Removal of Crystal Violet Dye from Aqueous Medium

Authors: D. Nareshyadav, K. Anand Kishore, D. Bhagawan

Abstract:

Water scarcity is the much-identified issue all over the world. The available sources of water need to be reused to sustainable future. The present work explores the treatment of dye wastewater using combinative photocatalysis and ceramic nanofiltration membrane. Commercial ceramic membrane and TiO₂ catalyst were used in this study to investigate the removal of crystal violet dye from the aqueous solution. The effect of operating parameters such as inlet pressure, initial concentration of crystal violet dye, catalyst (TiO₂) loading, initial pH was investigated in the individual system as well as the combined system. In this study, 95 % of dye water was decolorized and 89 % of total organic carbon (TOC) was removed by the hybrid system for 500 ppm of dye and 0.75 g/l of TiO₂ concentrations at pH 9. The operation of the integrated photocatalytic reactor and ceramic membrane filtration has shown the maximum removal of crystal violet dye compared to individual systems. Hence this proposed method may be effective for the removal of Crystal violet dye from effluents.

Keywords: advanced oxidation process, ceramic nanoporous membrane, dye degradation/removal, hybrid system, photocatalysis

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649 Sensing Mechanism of Nano-Toxic Ions Using Quartz Crystal Microbalance

Authors: Chanho Park, Juneseok You, Kuewhan Jang, Sungsoo Na

Abstract:

Detection technique of nanotoxic materials is strongly imperative, because nano-toxic materials can harmfully influence human health and environment as their engineering applications are growing rapidly in recent years. In present work, we report the DNA immobilized quartz crystal microbalance (QCM) based sensor for detection of nano-toxic materials such as silver ions, Hg2+ etc. by using functionalization of quartz crystal with a target-specific DNA. Since the mass of a target material is comparable to that of an atom, the mass change caused by target binding to DNA on the quartz crystal is so small that it is practically difficult to detect the ions at low concentrations. In our study, we have demonstrated fast and in situ detection of nanotoxic materials using quartz crystal microbalance. We report the label-free and highly sensitive detection of silver ion for present case, which is a typical nano-toxic material by using QCM and silver-specific DNA. The detection is based on the measurement of frequency shift of Quartz crystal from constitution of the cytosine-Ag+-cytosine binding. It is shown that the silver-specific DNA measured frequency shift by QCM enables the capturing of silver ions below 100pM. The results suggest that DNA-based detection opens a new avenue for the development of a practical water-testing sensor.

Keywords: nano-toxic ions, quartz crystal microbalance, frequency shift, target-specific DNA

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648 A Regression Model for Predicting Sugar Crystal Size in a Fed-Batch Vacuum Evaporative Crystallizer

Authors: Sunday B. Alabi, Edikan P. Felix, Aniediong M. Umo

Abstract:

Crystal size distribution is of great importance in the sugar factories. It determines the market value of granulated sugar and also influences the cost of production of sugar crystals. Typically, sugar is produced using fed-batch vacuum evaporative crystallizer. The crystallization quality is examined by crystal size distribution at the end of the process which is quantified by two parameters: the average crystal size of the distribution in the mean aperture (MA) and the width of the distribution of the coefficient of variation (CV). Lack of real-time measurement of the sugar crystal size hinders its feedback control and eventual optimisation of the crystallization process. An attractive alternative is to use a soft sensor (model-based method) for online estimation of the sugar crystal size. Unfortunately, the available models for sugar crystallization process are not suitable as they do not contain variables that can be measured easily online. The main contribution of this paper is the development of a regression model for estimating the sugar crystal size as a function of input variables which are easy to measure online. This has the potential to provide real-time estimates of crystal size for its effective feedback control. Using 7 input variables namely: initial crystal size (Lo), temperature (T), vacuum pressure (P), feed flowrate (Ff), steam flowrate (Fs), initial super-saturation (S0) and crystallization time (t), preliminary studies were carried out using Minitab 14 statistical software. Based on the existing sugar crystallizer models, and the typical ranges of these 7 input variables, 128 datasets were obtained from a 2-level factorial experimental design. These datasets were used to obtain a simple but online-implementable 6-input crystal size model. It seems the initial crystal size (Lₒ) does not play a significant role. The goodness of the resulting regression model was evaluated. The coefficient of determination, R² was obtained as 0.994, and the maximum absolute relative error (MARE) was obtained as 4.6%. The high R² (~1.0) and the reasonably low MARE values are an indication that the model is able to predict sugar crystal size accurately as a function of the 6 easy-to-measure online variables. Thus, the model can be used as a soft sensor to provide real-time estimates of sugar crystal size during sugar crystallization process in a fed-batch vacuum evaporative crystallizer.

Keywords: crystal size, regression model, soft sensor, sugar, vacuum evaporative crystallizer

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647 Noncritical Phase-Matched Fourth Harmonic Generation of Converging Beam by Deuterated Potassium Dihydrogen Phosphate Crystal

Authors: Xiangxu Chai, Bin Feng, Ping Li, Deyan Zhu, Liquan Wang, Guanzhong Wang, Yukun Jing

Abstract:

In high power large-aperture laser systems, such as the inertial confinement fusion project, the Nd: glass laser (1053nm) is usually needed to be converted to ultraviolet (UV) light and the fourth harmonic generation (FHG) is one of the most favorite candidates to achieve UV light. Deuterated potassium dihydrogen phosphate (DKDP) crystal is an optimal choice for converting the Nd: glass radiation to the fourth harmonic laser by noncritical phase matching (NCPM). To reduce the damage probability of focusing lens, the DKDP crystal is suggested to be set before the focusing lens. And a converging beam enters the FHG crystal consequently. In this paper, we simulate the process of FHG in the scheme and the dependence of FHG efficiency on the lens’ F is derived. Besides, DKDP crystal with gradient deuterium is proposed to realize the NCPM FHG of the converging beam. At every position, the phase matching is achieved by adjusting the deuterium level, and the FHG efficiency increases as a result. The relation of the lens’ F with the deuterium gradient is investigated as well.

Keywords: fourth harmonic generation, laser induced damage, converging beam, DKDP crystal

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646 A Digital Representation of a Microstructure and Determining Its Mechanical Behavior

Authors: Burak Bal

Abstract:

Mechanical characterization tests might come with a remarkable cost of time and money for both companies and academics. The inquiry to transform laboratory experiments to the computational media is getting a trend; accordingly, the literature supplies many analytical ways to explain the mechanics of deformation. In our work, we focused on the crystal plasticity finite element modeling (CPFEM) analysis on various materials in various crystal structures to predict the stress-strain curve without tensile tests. For FEM analysis, which we used in this study was ABAQUS, a standard user-defined material subroutine (UMAT) was prepared. The geometry of a specimen was created via DREAM 3D software with the inputs of Euler angles taken by Electron Back-Scattered Diffraction (EBSD) technique as orientation, or misorientation angles. The synthetic crystal created with DREAM 3D is also meshed in a way the grains inside the crystal meshed separately, and the computer can realize interaction of inter, and intra grain structures. The mechanical deformation parameters obtained from the literature put into the Fortran based UMAT code to describe how material will response to the load applied from specific direction. The mechanical response of a synthetic crystal created with DREAM 3D agrees well with the material response in the literature.

Keywords: crystal plasticity finite element modeling, ABAQUS, Dream.3D, microstructure

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645 In-situ Observations Using SEM-EBSD for Bending Deformation in Single-Crystal Materials

Authors: Yuko Matayoshi, Takashi Sakai, Yin-Gjum Jin, Jun-ichi Koyama

Abstract:

To elucidate the material characteristics of single crystals of pure aluminum and copper, the respective relations between crystallographic orientations and micro structures were examined, along with bending and mechanical properties. The texture distribution was also analysed. Bending tests were performed in a SEM apparatus while its behaviors were observed. Some analytical results related to crystal direction maps, inverse pole figures, and textures were obtained from electron back scatter diffraction (EBSD) analyses.

Keywords: pure aluminum, pure copper, single crystal, bending, SEM-EBSD analysis, texture, microstructure

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644 Development of 420 mm Diameter Silicon Crystal Growth Using Continuous Czochralski Process

Authors: Ilsun Pang, Kwanghun Kim, Sungsun Baik

Abstract:

Large diameter Si wafer is used as semiconductor substrate. Large diameter Si crystal ingot should be needed in order to increase wafer size. To make convection of large silicon melt stable, magnetic field is normally applied, but magnetic field is expensive and it is not proper to stabilize the large Si melt. To solve the problem, we propose a continuous Czochralski process which can be applied to small melt without magnetic field. We used granule poly, which has size distribution of 1~3 mm and is easily supplied in double crucible during silicon ingot growth. As the result, we produced 420 mm diameter ingot. In this paper, we describe an experimental study on crystal growth of large diameter silicon by Continuous Czochralski process.

Keywords: Czochralski, ingot, silicon crystal, wafer

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

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

Abstract:

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

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

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642 Shaped Crystal Growth of Fe-Ga and Fe-Al Alloy Plates by the Micro Pulling down Method

Authors: Kei Kamada, Rikito Murakami, Masahiko Ito, Mototaka Arakawa, Yasuhiro Shoji, Toshiyuki Ueno, Masao Yoshino, Akihiro Yamaji, Shunsuke Kurosawa, Yuui Yokota, Yuji Ohashi, Akira Yoshikawa

Abstract:

Techniques of energy harvesting y have been widely developed in recent years, due to high demand on the power supply for ‘Internet of things’ devices such as wireless sensor nodes. In these applications, conversion technique of mechanical vibration energy into electrical energy using magnetostrictive materials n have been brought to attention. Among the magnetostrictive materials, Fe-Ga and Fe-Al alloys are attractive materials due to the figure of merits such price, mechanical strength, high magnetostrictive constant. Up to now, bulk crystals of these alloys are produced by the Bridgman–Stockbarger method or the Czochralski method. Using these method big bulk crystal up to 2~3 inch diameter can be grown. However, non-uniformity of chemical composition along to the crystal growth direction cannot be avoid, which results in non-uniformity of magnetostriction constant and reduction of the production yield. The micro-pulling down (μ-PD) method has been developed as a shaped crystal growth technique. Our group have reported shaped crystal growth of oxide, fluoride single crystals with different shape such rod, plate tube, thin fiber, etc. Advantages of this method is low segregation due to high growth rate and small diffusion of melt at the solid-liquid interface, and small kerf loss due to near net shape crystal. In this presentation, we report the shaped long plate crystal growth of Fe-Ga and Fe-Al alloys using the μ-PD method. Alloy crystals were grown by the μ-PD method using calcium oxide crucible and induction heating system under the nitrogen atmosphere. The bottom hole of crucibles was 5 x 1mm² size. A <100> oriented iron-based alloy was used as a seed crystal. 5 x 1 x 320 mm³ alloy crystal plates were successfully grown. The results of crystal growth, chemical composition analysis, magnetostrictive properties and a prototype vibration energy harvester are reported. Furthermore, continuous crystal growth using powder supply system will be reported to minimize the chemical composition non-uniformity along the growth direction.

Keywords: crystal growth, micro-pulling-down method, Fe-Ga, Fe-Al

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641 Terahertz Glucose Sensors Based on Photonic Crystal Pillar Array

Authors: S. S. Sree Sanker, K. N. Madhusoodanan

Abstract:

Optical biosensors are dominant alternative for traditional analytical methods, because of their small size, simple design and high sensitivity. Photonic sensing method is one of the recent advancing technology for biosensors. It measures the change in refractive index which is induced by the difference in molecular interactions due to the change in concentration of the analyte. Glucose is an aldosic monosaccharide, which is a metabolic source in many of the organisms. The terahertz waves occupies the space between infrared and microwaves in the electromagnetic spectrum. Terahertz waves are expected to be applied to various types of sensors for detecting harmful substances in blood, cancer cells in skin and micro bacteria in vegetables. We have designed glucose sensors using silicon based 1D and 2D photonic crystal pillar arrays in terahertz frequency range. 1D photonic crystal has rectangular pillars with height 100 µm, length 1600 µm and width 50 µm. The array period of the crystal is 500 µm. 2D photonic crystal has 5×5 cylindrical pillar array with an array period of 75 µm. Height and diameter of the pillar array are 160 µm and 100 µm respectively. Two samples considered in the work are blood and glucose solution, which are labelled as sample 1 and sample 2 respectively. The proposed sensor detects the concentration of glucose in the samples from 0 to 100 mg/dL. For this, the crystal was irradiated with 0.3 to 3 THz waves. By analyzing the obtained S parameter, the refractive index of the crystal corresponding to the particular concentration of glucose was measured using the parameter retrieval method. Refractive indices of the two crystals decreased gradually with the increase in concentration of glucose in the sample. For 1D photonic crystals, a gradual decrease in refractive index was observed at 1 THz. 2D photonic crystal showed this behavior at 2 THz. The proposed sensor was simulated using CST Microwave studio. This will enable us to develop a model which can be used to characterize a glucose sensor. The present study is expected to contribute to blood glucose monitoring.

Keywords: CST microwave studio, glucose sensor, photonic crystal, terahertz waves

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640 Ultra-Low Chromatic Dispersion, Low Confinement Loss, and Low Nonlinear Effects Index-Guiding Photonic Crystal Fiber

Authors: S. Olyaee, M. Seifouri, A. Nikoosohbat, M. Shams Esfand Abadi

Abstract:

Photonic Crystal Fibers (PCFs) can be used in optical communications as transmission lines. For this reason, the PCFs with low confinement loss, low chromatic dispersion, and low nonlinear effects are highly suitable transmission media. In this paper, we introduce a new design of index-guiding photonic crystal fiber (IG-PCF) with ultra-low chromatic dispersion, low nonlinearity effects, and low confinement loss. Relatively low dispersion is achieved in the wavelength range of 1200 to 1600 nm using the proposed design. According to the new structure of IG-PCF presented in this study, the chromatic dispersion slope is -30(ps/km.nm) and the confinement loss reaches below 10-7 dB/km. While in the wavelength range mentioned above at the same time an effective area of more than 50.2μm2 is obtained.

Keywords: optical communication systems, index-guiding, dispersion, confinement loss, photonic crystal fiber

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639 Low Nonlinear Effects Index-Guiding Nanostructured Photonic Crystal Fiber

Authors: S. Olyaee, M. Seifouri, A. Nikoosohbat, M. Shams Esfand Abadi

Abstract:

Photonic Crystal Fibers (PCFs) can be used in optical communications as transmission lines. For this reason, the PCFs with low confinement loss, low chromatic dispersion, and low nonlinear effects are highly suitable transmission media. In this paper, we introduce a new design of index-guiding nanostructured photonic crystal fiber (IG-NPCF) with ultra-low chromatic dispersion, low nonlinearity effects, and low confinement loss. Relatively low dispersion is achieved in the wavelength range of 1200 to 1600nm using the proposed design. According to the new structure of nanostructured PCF presented in this study, the chromatic dispersion slope is -30(ps/km.nm) and the confinement loss reaches below 10-7 dB/km. While in the wavelength range mentioned above at the same time an effective area of more than 50.2μm2 is obtained.

Keywords: optical communication systems, nanostructured, index-guiding, dispersion, confinement loss, photonic crystal fiber

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638 Synthesis, Crystal Structure Characterization, Hirshfeld Surface Analysis and Biological Activities of Two Schiff Base Polymorphs Derived From 2-Aminobenzonitrile

Authors: Nesrine Benarous, Hassiba Bougueria, Nabila Moussa Slimane, Aouatef Cherouana

Abstract:

Crystal polymorphism is important for the synthesis of more potent and bioactive pharmaceutical compounds, including their different properties, such as packing arrangement and conformation. In fact, polymorphism plays a vital role in drug development. Different parameters affect the crystallization and give their degree of freedom. Severalproperties affected polymorphism, like kinetics, thermodynamics, spectroscopy, and mechanical property. Various techniques are used for characterizing polymorphs, are crystallography, morphology, phase transitions, molecular motion, and chemical environment. In this work, crystal structures of two polymorphs (I and II) of the Schiff base (SB) title compound were prepared by condensation reaction. The crystal structures of both polymorphs were determined by single X-ray analysis. The two polymorphs crystallize in two different space groups: P21/c for I and Pbca for II. The dihedral angles between the two phenyl rings are 4.81º for I and 82.27º for II. Both crystal structures are built on the basis of moderate and weak hydrogen bonds, 𝜋-stacking, and halogen⋯halogeninteractions. On the other hand, Hirshfeld surface (HS) analysis indicates that the most important contributions to the crystal packing for the two polymorphs are from Cl⋯H/H⋯Cl, H⋯H, and N⋯H/H⋯N contacts. These are followed by C⋯H/H⋯C for compound I and C⋯C and by C⋯H/H⋯C contacts for compound II. Afterwards, the in vitro antibacterial activity revealed that the SB have been found effective against G- bacteria Klebsiella pneumonia andG+ bacteria Staphylococcus aureuswith MIC value of14.37μg/mL. Moreover, the SBexhibited moderate toxicity against Brine Shrimp with LC50 value of 44.19μg/mL.

Keywords: polymorph, crystal structure, hirshfeld surface analysis, in vitro antibacterial activity, toxicity

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