Search results for: hcp crystal

Authors: Gulshan Mammadova

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This paper presents the results of studying the surface microrelief in 2D and 3D models and analyzing the spectroscopy of a three-junction TlInSe₂ crystal. Analysis of the results obtained showed that with a change in the composition of the TlInSe₂ crystal, sharp changes occur in the microrelief of its surface. An X-ray optical diffraction analysis of the TlInSe₂ crystal was experimentally carried out. Based on ellipsometric data, optical functions were determined - the real and imaginary parts of the dielectric permittivity of crystals, the coefficients of optical absorption and reflection, the dependence of energy losses and electric field power on the effective density, the spectral dependences of the real (σᵣ) and imaginary (σᵢ) parts, optical electrical conductivity were experimentally studied. The fluorescence spectra of the ternary compound TlInSe₂ were isolated and analyzed when excited by light with a wavelength of 532 nm. X-ray studies of TlInSe₂ showed that this phase crystallizes into tetragonal systems. Ellipsometric measurements showed that the real (ε₁) and imaginary (ε₂) parts of the dielectric constant are components of the dielectric constant tensor of the uniaxial joints under consideration and do not depend on the angle. Analysis of the dependence of the real and imaginary parts of the refractive index of the TlInSe₂ crystal on photon energy showed that the nature of the change in the real and imaginary parts of the dielectric constant does not differ significantly. When analyzing the spectral dependences of the real (σr) and imaginary (σi) parts of the optical electrical conductivity, it was noticed that the real part of the optical electrical conductivity increases exponentially in the energy range 0.894-3.505 eV. In the energy range of 0.654-2.91 eV, the imaginary part of the optical electrical conductivity increases linearly, reaches a maximum value, and decreases at an energy of 2.91 eV. At 3.6 eV, an inversion of the imaginary part of the optical electrical conductivity of the TlInSe₂ compound is observed. From the graphs of the effective power density versus electric field energy losses, it is known that the effective power density increases significantly in the energy range of 0.805–3.52 eV. The fluorescence spectrum of the ternary compound TlInSe₂ upon excitation with light with a wavelength of 532 nm has been studied and it has been established that this phase has luminescent properties.

Keywords: optical properties, dielectric permittivity, real and imaginary dielectric permittivity, optical electrical conductivity

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Authors: Hong-Min Kim, Da-Som Han, Myong-Hoon Lee

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CLCs (Cholesteric liquid crystals) draw tremendous interest due to their potential in various applications such as cholesteric color filters in LCD devices. CLC possesses helical molecular orientation which is induced by a chiral dopant molecules mixed with nematic liquid crystals. The efficiency of a chiral dopant is quantified by the HTP (helical twisting power). In this work, we designed and synthesized a series of new chiral dopants having a Schiff’s base imine structure with different alkyl chain lengths (butyl, hexyl and octyl) from chiral naphthyl amine by two-step reaction. The structures of new chiral dopants were confirmed by 1H-NMR and IR spectroscopy. The properties were investigated by DSC (differential scanning calorimetry calorimetry), POM (polarized optical microscopy) and UV-Vis spectrophotometer. These solid state chiral dopants showed excellent solubility in nematic LC (MLC-6845-000) higher than 17wt%. We prepared the CLC(Cholesteric Liquid Crystal) cell by mixing nematic LC (MLC-6845-000) with different concentrations of chiral dopants and injecting into the sandwich cell of 5μm cell gap with antiparallel alignment. The cholesteric liquid crystal phase was confirmed from POM, in which all the samples showed planar phase, a typical phase of the cholesteric liquid crystals. The HTP (helical twisting power) is one of the most important properties of CLC. We measured the HTP values from the UV-Vis transmittance spectra of CLC cells with varies chiral dopant concentration. The HTP values with different alkyl chains are as follows: butyl chiral dopant=29.8μm-1; hexyl chiral dopant= 31.8μm-1; octyl chiral dopant=27.7μm-1. We obtained the red, green and blue reflection color from CLC cells, which can be used as color filters in LCDs applications.

Keywords: cholesteric liquid crystal, color filter, display, HTP

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Authors: Andrii Natochii

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The UA9 collaboration in the last two years has installed two different types of detectors to investigate the channeling effect in the bent silicon crystals with high-energy particles beam on the CERN accelerator facilities: Cherenkov detector CpFM and silicon pixel detector Timepix. In the current work, we describe the main performances of the Timepix detector operation at the SPS and H8 extracted beamline at CERN. We are presenting some detector calibration results and tuning. Our research topics also cover a cluster analysis algorithm for the particle hits reconstruction. We describe the optimal acquisition setup for the Timepix device and the edges of its functionality for the high energy and flux beam monitoring. The measurements of the crystal parameters are very important for the future bent crystal applications and needs a track reconstruction apparatus. Thus, it was decided to construct a short range (1.2 m long) particle telescope based on the Timepix sensors and test it at H8 SPS extraction beamline. The obtained results will be shown as well.

Keywords: beam monitoring, channeling, particle tracking, Timepix detector

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Authors: T. D. Ibragimov, A. R. Imamaliyev, G. M. Bayramov

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Influence of barium titanate particles on electro-optic properties of liquid crystal 4-cyano-4′-pentylbiphenyl (5CB) with positive dielectric anisotropy and the liquid crystalline (LC) mixture Н-37 consisting of 4-methoxybezylidene-4'–butylaniline and 4-ethoxybezylidene-4'–butylaniline with negative dielectric anisotropy was investigated. It was shown that a presence of particles inside 5СВ and H-37 decreased the clearing temperature from 35.2 °С to 32.5°С and from 61.2 oC to 60.1oC, correspondingly. The threshold voltage of the Fredericksz effect became 0.3 V for the BaTiO3-5CB colloid while the beginning of this effect of the pure 5СВ was observed at 2.1 V. Threshold voltage of the Fredericksz effect increased from 2.8 V to up 3.1 V at additive of particles into H-37. A rise time of the BaTiO3-5CB colloid improved while a decay time worsened in comparison with the pure 5CB at all applied voltages. The inverse trends were observed for the H-37 matrix, namely, a rise time worsened and a decay time improved. Among other things, the effect of fast light modulation was studied at application of the rectangular impulse with direct bias to an electro-optical cell with the BaTiO3 particles+5CB and the pure 5CB. At this case, a rise time of the composite worsened, a decay time improved in comparison with the pure 5CB. The pecularities of electrohydrodynamic instability (EHDI) formation was also investigated into the composite with the H-37 matrix. It was found that the voltage of the EHDI formation decreased, a rise time increased and a decay time decreased in comparison with the pure H-37. First of all, experimental results are explained by appearance of local electric fields near the polarized ferroelectric particles at application of external electric field and an existence of the additional obstacles (particles) for movement of ions.

Keywords: liquid crystal, ferroelectric particles, composite, electro-optics

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Authors: Evrim Colak, Andriy E. Serebryannikov, Thore Magath, Ekmel Ozbay

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Single beam deflection and unidirectional transmission are examined for oblique incidence in a Photonic Crystal (PC) structure which employs defect layer instead of surface corrugations at the interfaces. In all of the studied cases, the defect layer is placed such that the symmetry is broken. Two types of deflection are observed depending on whether the zeroth order is coupled or not. These two scenarios can be distinguished from each other by considering the simulated field distribution in PC. In the first deflection type, Floquet-Bloch mode enables zeroth order coupling. The energy of the zeroth order is redistributed between the diffraction orders at the defect layer, providing deflection. In the second type, when zeroth order is not coupled, strong diffractions cause blazing and the evanescent waves deliver energy to higher order diffraction modes. Simulated isofrequency contours can be utilized to estimate the coupling behavior. The defect layer is placed at varying rows, preserving the asymmetry of PC while evancescent waves can still couple to higher order modes. Even for deeply buried defect layer, asymmetric transmission and beam deflection are still encountered when the zeroth order is not coupled. We assume ε=11.4 (refractive index close to that of GaAs and Si) for the PC rods. A possible operation wavelength can be within microwave and infrared range. Since the suggested material is low loss, the structure can be scaled down to operate higher frequencies. Thus, a sample operation wavelength is selected as 1.5μm. Although the structure employs no surface corrugations transmission value T≈0.97 can be achieved by means of diffraction order m=-1. Moreover, utilizing an extra line defect, T value can be increased upto 0.99, under oblique incidence even if the line defect layer is deeply embedded in the photonic crystal. The latter configuration can be used to obtain deflection in one frequency range and can also be utilized for the realization of another functionality like defect-mode wave guiding in another frequency range but still using the same structure.

Keywords: asymmetric transmission, beam deflection, blazing, bi-directional splitting, defect layer, dual beam splitting, Floquet-Bloch modes, isofrequency contours, line defect, oblique incidence, photonic crystal, unidirectionality

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Authors: M. Jerold, V. Sivasubramanian

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In this study, nano zero valent iron Sargassum swartzii (nZVI-SS) biocomposite a marine algal based biosorbent was used for the removal of simulated crystal violet (CV) in batch and continuous fixed bed operation. The Box-Behnen design (BBD) experimental results revealed the biosoprtion was maximum at pH 7.5, biosorbent dosage 0.1 g/L and initial CV concentration of 100 mg/L. The effect of various column parameters like bed depth (3, 6 and 9 cm), flow rate (5, 10 and 15 mL/min) and influent CV concentration (5, 10 and 15 mg/L) were investigated. The exhaustion time increased with increase of bed depth, influent CV concentration and decrease of flow rate. Adam-Bohart, Thomas and Yoon-Nelson models were used to predict the breakthrough curve and to evaluate the model parameters. Out of these models, Thomas and Yoon-Nelson models well described the experimental data. Therefore, the result implies that nZVI-SS biocomposite is a cheap and most promising biosorbent for the removal of CV from wastewater.

Keywords: algae, biosorption, zero-valent, dye, wastewater

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Authors: Wu Yufeng, Gu Yifan, Wang Hengguang, Gongyu, Zuo Tieyong

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Indium is one the scarce resources which can be only used less than 30 years, and more than 70% of the indium is used for the production of the LCD. The benefit of recycling Indium from waste LCD is large. Take the LCD-TV for example, the yield of which was close to 90 million units in 2010. If it was available to recycle the indium effectively, the yield of the secondary-indium could reach up to 110 metric ton, which accounted for one third of the primary indium production in China. And compared with the dispersion and long process extraction of the primary indium resources, secondary indium concentrates in the waste LCD, the exploitation has great economic and environmental benefits. However, the potential benefits were indefinite, resulting in China’s government did not pay enough attention to the indium recycling industry. In our study, an estimation model was constructed to analyze the potential of the indium in the waste LCD. The different types of LCD were detected to find out the content of indium. Then, the potential of the indium in the waste LCD was estimated in China. Furthermore, the pollution emissions of the product process of the primary and secondary indium was analyzed respectively to calculate the economic and environmental benefits of the indium recycling from the waste LCD in China.

Keywords: indium recycling, waste liquid crystal displays, benefits, China

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Authors: Ammar Z. Alshemary, Zafer Evis

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In this study, nanorods of Cr³⁺/SiO₄⁴⁻ codoped hydroxyapatite (Cr³⁺/SiO₄⁴⁻-HA) were synthesized successfully and rapidly through microwave irradiation technique, using (Ca(NO₃)₂•4H₂O), ((NH₄)₂HPO₄), (SiC₈H₂₀O₄) and (Cr(NO₃)₃.9H₂O) as source materials for Ca²⁺, PO₄³⁻, SiO₄⁴⁻ and Cr³⁺ ions, respectively. The impact of dopants on the phase formation and microstructure of the powders were investigated by means of X-ray diffraction (XRD), Fourier transform infrared spectrum analysis (FT-IR) and Field emission electron microscopy (FESEM) techniques. XRD analysis showed that with an incorporation of Cr³⁺/SiO₄⁴⁻ ions into HA structure resulted in peak broadening and reduced peak height due to the amorphous nature and reduced crystallinity of the resulting HA powder. FTIR spectroscopy revealed the existence of the different vibrational modes matching to phosphates and hydroxyl groups. The FESEM analysis showed a change in the crystal shape from spherical to rod shaped particles upon Cr³⁺ doping into the crystal structure. Acknowledgments: This study was supported by Karabük University (Project no. KBÜBAP-17-YD-144). The authors would like to thank for support.

Keywords: nano-hydroxyapatite, microwave, dopants, characterization, microstructure

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Authors: Mohamed Farhat O. Hameed, Yasamin K. A. Alrayk, A. A Shaalan, S. S. A. Obayya

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The surface plasmon resonance (SPR) sensors are widely used due to its high sensitivity with molecular labels free. The commercial SPR sensors depend on the conventional prism-coupled configuration. However, this type of configuration suffers from miniaturization and integration. Therefore, the search for compact, portable and highly sensitive SPR sensors becomes mandatory.In this paper, sensitivity enhancement of a novel photonic crystal fiber biosensoris introduced and studied. The suggested design has microstructure of air holes in the core region surrounded by two large semicircular metallized channels filled with the analyte. The inner surfaces of the two channels are coated by a silver layer followed by a gold layer.The simulation results are obtained using full vectorial finite element methodwith perfect matched layer (PML) boundary conditions. The proposed design depends on bimetallic configuration to enhance the biosensor sensitivity. Additionally, the suggested biosensor can be used for multi-channel/multi-analyte sensing. In this study, the sensor geometrical parameters are studied to maximize the sensitivity for the two polarized modes. The numerical results show that high refractive index sensitivity of 4750 nm/RIU (refractive index unit) and 4300 nm/RIU can be achieved for the quasi (transverse magnetic) TM and quasi (transverse electric) TE modes of the proposed biosensor, respectively. The reportedbiosensor has advantages of integration of microfluidics setup, waveguide and metallic layers into a single structure. As a result, compact biosensor with better integration compared to conventional optical fiber SPR biosensors can be obtained.

Keywords: photonic crystal fibers, gold, silver, surface plasmon, biosensor

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Authors: Zhiqiang Xu, Hongfang Ma, Haitao Zhang, Weixin Qian, Weiyong Ying

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SSZ-13 materials with different Si/Al ratio were prepared by varying the composition of aluminosilicate precursor solutions upon hydrothermal treatment at 150 °C. The Si/Al ratio of the initial system was systematically changed from 12.5 to infinity in order to study the limits of Al composition in precursor solutions for constructing CHA structure. The intermediates and final products were investigated by complementary techniques such as XRD, HRTEM, FESEM, and chemical analysis. NH₃-TPD was used to study the Brønsted acidity of SSZ-13 samples with different Si/Al ratios. The effect of the Si/Al ratio on the precursor species, ultimate crystal size, morphology and yield was investigated. The results revealed that Al species determine the nucleation rate and the number of nuclei, which is tied to the morphology and yield of SSZ-13. The size of SSZ-13 increased and the yield decreased as the Si/Al ratio was improved. Varying Si/Al ratio of the initial system is a facile, commercially viable method of tailoring SSZ-13 crystal size and morphology. Furthermore, SSZ-13 materials with different Si/Al ratio were tested as catalysts for the methanol to olefins (MTO) reaction at 350 °C. SSZ-13 with the Si/Al ratio of 35 shows the best MTO catalytic performance.

Keywords: crystallization, MTO, Si/Al ratio, SSZ-13

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Authors: T. D. Ibragimov, A. R. Imamaliyev, G. M. Bayramov

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The polymer network liquid crystals based on the liquid crystals Н37 and 5CB with polymethylvinilpirydine (PMVP) and polyethylene glycol (PEG) have been developed. Mesogene substance 4-n-heptyoxibenzoic acid (HOBA) is served for stabilization of obtaining composites. Kinetics of network formation is investigated by methods of polarization microscopy and integrated small-angle scattering. It is shown that gel-like states of the composite H-37 + PMVP + HOBA and 5CB+PEG+HOBA are formed at polymer concentration above 7 % and 9 %, correspondingly. At slow cooling, the system separates into a liquid crystal –rich phase and a liquid crystal-poor phase. At this case, transition of these phases in the H-37 + PMVP + HOBA (87 % + 12 % + 1 %) composite to an anisotropic state occurs at 49 оС and и 41 оС, accordingly, while the composite 5CB+PEG+HOBA (85% +13 % +2%) passes to anisotropic state at 36 оС corresponding to the isotropic-nematic transition of pure 5CB. The basic electro-optic parameters of the obtained composites are determined at room temperature. It is shown that the threshold voltage of the composite H-37 + PMVP + HOBA increase in comparison with pure H-37 and, accordingly, there is a shift of voltage dependence of rise times to the high voltage region. The contrast ratio worsens while decay time improves in comparison with the pure liquid crystal at all applied voltage. The switching times of the composite 5CB + PEG + HOBA (85% +13 % +2%) show anomalous behavior connected with incompleteness of the transition to an anisotropic state. Experimental results are explained by phase separation of the system, diminution of a working area of electro-optical effects and influence of areas with the high polymer concentration on areas with their low concentration.

Keywords: liquid crystals, polymers, small-angle scattering, optical properties

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Authors: Mahsa Namvari, Kari Ullakko

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It is well-known that the Co-doping of ferromagnetic shape memory alloys (FSMAs) is a crucial tool to control their multifunctional properties. The present work investigates the use of small quantities of Co to fine-tune the transformation, structure, microstructure, mechanical and magnetic properties of the polycrystalline Ni₄₉.₈Mn₂₈.₅Ga₂₁.₇ (at.%) alloy, At Co concentrations of 1-1.5 at.%, a microstructure with an average grain size of about 2.00 mm was formed with a twin structure, enabling the experimental observation of magnetic-field-induced twin variant rearrangement. At higher levels of Co-doping, the grain size was essentially reduced, and the crystal structure of the martensitic phase became 2M martensite. The decreasing grain size and changing crystal structure are attributed to the progress of γ-phase precipitates. Alongside the academic aspect, the results of the present work point to the commercial advantage of fabricating 10M Co-doped Ni-Mn-Ga actuating elements made from large grains of polycrystalline ingots obtained by a standard melting facility instead of grown single crystals.

Keywords: Ni-Mn-Ga, ferromagnetic shape memory, martensitic phase transformation, grain growth

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Authors: Luguang Qi, Chuang Xie

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In recent years, there has been an increase in the number of reports on cocrystal polymorphism and stoichiomorphism. However, the research on the factors that influence these phenomena is limited. Herein, picolinamide (PAM), nicotinamide (NAM), and isonicotinamide (INA) were selected as co-formers to form multicomponent solids with 4-chloro-3-sulfamoylbenzoic acid (CSBA). Six new cocrystal forms of CSBA were discovered, and their crystal structures were determined. It was found that PAM and NAM can only form one cocrystal with CSBA, while INA can form up to four cocrystals, including both cocrystal polymorphism and stoichiomorphism. Molecular electrostatic potential analysis and crystal structure analysis showed that the functional group position of PAM limited the diversity of cocrystal synthons, while the lattice energy limited the diversity of cocrystal synthons when NAM acted as a co-former. Only INA was not subject to these restrictions when forming cocrystals. Finally, the influence of solvents on cocrystals was illustrated by determining the ternary phase diagrams. The mechanism of two similar solvents, ethyl acetate, and acetone, controlling the crystallization of cocrystal polymorphism was analyzed by molecular simulations.

Keywords: cocrystal polymorphism, cocrystal stoichiomorphism, phase diagram, molecular simulation

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Authors: Woei-Shyan Lee, Shuo-Ling Chang

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The nanoindentation behaviour and phase transformation of annealed single-crystal silicon wafers are examined. The silicon specimens are annealed at temperatures of 250, 350 and 450ºC, respectively, for 15 minutes and are then indented to maximum loads of 30, 50 and 70 mN. The phase changes induced in the indented specimens are observed using transmission electron microscopy (TEM) and micro-Raman scattering spectroscopy (RSS). For all annealing temperatures, an elbow feature is observed in the unloading curve following indentation to a maximum load of 30 mN. Under higher loads of 50 mN and 70 mN, respectively, the elbow feature is replaced by a pop-out event. The elbow feature reveals a complete amorphous phase transformation within the indented zone, whereas the pop-out event indicates the formation of Si XII and Si III phases. The experimental results show that the formation of these crystalline silicon phases increases with an increasing annealing temperature and indentation load. The hardness and Young’s modulus both decrease as the annealing temperature and indentation load are increased.

Keywords: nanoindentation, silicon, phase transformation, amorphous, annealing

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Authors: A. Mousavi, S. Sadegzadeh

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In this research, the effect of non-thermal micro plasma with non-Maxwellian distribution function on the one dimensional plasma photonic crystals containing alternate plasma-dielectric layers, has been studied. By using Kronig Penny model, the dispersion relation of electromagnetic modes for such a periodic structure is obtained. In this study we take two plasma photonic crystals with different dielectric layers: the first one with Silicon monoxide named PPCI, and the second one with Tellurium dioxide named PPCII. The effects of the plasma layer thickness and the material of the dielectric layer on the plasma photonic crystal band gaps have been illustrated in the dispersion relation and the group velocity figures. Results revealed that in such a system, the non-thermal plasma exerts stronger limit on the wave’s propagation. In another word, for the non-thermal plasma photonic crystals (NPPC), there are two distinct regions in the dispersion plot. The upper region consists of alternate band gaps in such a way that both width and length of the bands decrease gradually as the band gaps order increases. Whereas in the lower region where v_ph > 20 c (for PPCI), waves will not be allowed to propagate.

Keywords: band gap, dispersion relation, non-thermal plasma, plasma photonic crystal

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Authors: M. Sajjadnejad, H. Omidvar, M. Javanbakht, A. Mozafari

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Pure nickel coatings have been successfully electrodeposited on copper substrates by the pulse plating technique. The influence of current density, duty cycle and pulse frequency on the surface morphology, crystal orientation, and microhardness was determined. It was found that the crystallite size of the deposit increases with increasing current density and duty cycle. The crystal orientation progressively changed from a random texture at 1 A/dm2 to (200) texture at 10 A/dm2. Increasing pulse frequency resulted in increased texture coefficient and peak intensity of (111) reflection. An increase in duty cycle resulted in considerable increase in texture coefficient and peak intensity of (311) reflection. Coatings obtained at high current densities and duty cycles present a mixed morphology of small and large grains. Maximum microhardness of 193 Hv was achieved at 4 A/dm2, 10 Hz and duty cycle of 50%. Nickel coatings with (200) texture are ductile while (111) texture improves the microhardness of the coatings.

Keywords: current density, duty cycle, microstructure, nickel, pulse frequency

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Authors: Pooja Seth, Shruti Aggarwal

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The Europium (Eu) doped (0.02-0.1 wt %) lithium fluoride (LiF) crystal in the form of multicrystalline sheet was gown by the edge defined film fed growth (EFG) technique. Crystals were grown in argon gas atmosphere using graphite crucible and stainless steel die. The systematic incorporation of Eu inside the host LiF lattice was confirmed by X-ray diffractometry. Thermoluminescence (TL) glow curve was recorded on annealed (AN) crystals after irradiation with a gamma dose of 15 Gy. The effect of different concentration of Eu in enhancing the thermoluminescence (TL) intensity of LiF was studied. The normalized peak height of the Eu-doped LiF crystal was nearly 12 times that of the LiF crystals. The optimized concentration of Eu in LiF was found to be 0.05wt% at which maximum TL intensity was observed with main TL peak positioned at 185 °C. At higher concentration TL intensity decreases due to the formation of precipitates in the form of clusters or aggregates. The nature of the energy traps in Eu doped LiF was analysed through glow curve deconvolution. The trap depth was found to be in the range of 0.2 – 0.5 eV. These results showed that doping with Eu enhances the TL intensity by creating more defect sites for capturing of electron and holes during irradiation which might be useful for dosimetry application.

Keywords: thermoluminescence, defects, gamma radiation, crystals

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Authors: S. Sadegzadeh, A. Mousavi

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Temperature-dependent tunable photonic crystals have attracted widespread interest in recent years. In this research, transmission characteristics of a one-dimensional photonic crystal structure with a single defect have been studied. Here, we assume two different defect layers: InSb as a semiconducting layer and HgBa₂Ca₂Cu₃O₁₀ as a high-temperature superconducting layer. Both the defect layers have temperature-dependent refractive indexes. Two different types of dielectric materials (Si as a high-refractive index dielectric and MgF₂ as a low-refractive index dielectric) are used to construct the asymmetric structures (Si/MgF₂)^NInSb(Si/MgF₂)^N named S.I, and (Si/MgF₂)^NHgBa₂Ca₂Cu₃O₁₀(Si/MgF₂)^N named S.II. It is found that in response to the temperature changes, transmission peaks within the photonic band gap of the S.II structure, in contrast to S.I, show a small wavelength shift. Furthermore, the results show that under the same conditions, S.I structure generates an extra defect mode in the transmission spectra. Besides high efficiency transmission property of S.II structure, it can be concluded that the semiconductor-dielectric photonic crystals are more sensitive to temperature variation than superconductor types.

Keywords: defect modes, photonic crystals, semiconductor, superconductor, transmission

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Authors: Etienne Bonnaud, David Lindell

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Correlations between microstructure, deformation mechanisms, and mechanical properties in additively manufactured 316L steel components have been investigated. Mechanical properties in the vertical direction (building direction) and in the horizontal direction (in plane directions) are markedly different. Vertically built specimens show lower yield stress but higher elongation than their horizontally built counterparts. Microscopic observations by electron back scattered diffraction (EBSD) for both build orientations reveal a strong [110] fiber texture in the build direction but different grain morphologies. These microstructures are used as input in subsequent crystal plasticity numerical simulations to understand their influence on the deformation mechanisms and the mechanical properties. Mean field simulations using a visco plastic self consistent (VPSC) model were carried out first but did not give results consistent with the tensile test experiments. A more detailed full-field model had to be used based on the Visco Plastic Fast Fourier Transform (VPFTT) method. A more accurate microstructure description was then input to the simulation model, where thin vertical regions of smaller grains were also taken into account. It turned out that these small grain clusters were responsible for the discrepancies in yield stress and hardening. Texture and morphology have a strong effect on mechanical properties. The different mechanical behaviors between vertically and horizontally printed specimens could be explained by means of numerical full-field crystal plasticity simulations, and the presence of thin clusters of smaller grains was shown to play a central role in the deformation mechanisms.

Keywords: additive manufacturing, crystal plasticity, full-field simulations, mean-field simulations, texture

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Authors: Maha Salman, Gada Al-Nuwaibit

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The effect of anti-scale magnetic method (AMM) in retarding scaling deposition is confirmed by many researchers, to result in new crystal morphology, the crystal which has the tendency to remain suspended more than precipitated. AMM is considered as an economic method when compared to other common methods used for scale prevention in desalination plant as acid treatment and addition of antiscalant. The current project was initiated to evaluate the effectiveness of AMM in preventing calcium carbonate scaling. The AMM was tested at different flow velocities (1.0, 0.5, 0.3, 0.1, and 0.003 m/s), different operating temperatures (50, 70, and 90°C), different feed pH and different magnetic field strength. The results showed that AMM was effective in retarding calcium carbonate scaling deposition, and the performance of AMM depends strongly on the flow velocity. The scaling retention time was found to be affected by the operating temperatures, flow velocity, and magnetic strength (MS), and in general, it was found that as the operating temperatures increased the effectiveness of the AMM in retarding calcium carbonate (CaCO₃) scaling increased.

Keywords: magnetic treatment, field strength, flow velocity, magnetic scale retention time

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Authors: M. Asghar, K. Mahmood, F. Malik, Lu Na, Y-H Xie, Yasin A. Raja, I. Ferguson

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In this paper, we have reported an enhancement in Seebeck coefficient of un-doped zinc oxide (ZnO) grown by molecular beam epitaxy (MBE) on silicon (001) substrate by annealing treatment. The grown ZnO thin films were annealed in oxygen environment at 500°C – 800°C, keeping a step of 100°C for one hour. Room temperature Seebeck measurements showed that Seebeck coefficient and power factor increased from 222 to 510 µV/K and 8.8×10^-6 to 2.6×10^-4 Wm^-1K^-2 as annealing temperature increased from 500°C to 800°C respectively. This is the highest value of Seebeck coefficient ever reported for un-doped MBE grown ZnO according to best of our knowledge. This observation was related with the improvement of crystal structure of grown films with annealing temperature. X-ray diffraction (XRD) results demonstrated that full width half maximum (FWHM) of ZnO (002) plane decreased and crystalline size increased as the annealing temperature increased. Photoluminescence study revealed that the intensity of band edge emission increased and defect emission decreased as annealing temperature increased because the density of oxygen vacancy related donor defects decreased with annealing temperature. This argument was further justified by the Hall measurements which showed a decreasing trend of carrier concentration with annealing temperature.

Keywords: ZnO, MBE, thermoelectric properties, annealing temperature, crystal structure

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Authors: Amani Alotaibi

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3D printing has emerged as a pivotal technique for scaffold development, particularly in the field of bone tissue regeneration, due to its ability to customize scaffolds to fit complex geometries of bone defects. Among the various methods available, fused deposition modeling (FDM) is particularly promising as it avoids the use of solvents or toxic chemicals during fabrication. This study investigates the effects of three key parameters, extrusion temperature, screw rotational speed, and deposition speed, on the crystallization and mechanical properties of polycaprolactone (PCL) scaffolds. Three extrusion temperatures (70°C, 80°C, and 90°C), three screw speeds (10 RPM, 15 RPM, and 20 RPM), and three deposition speeds (8 mm/s, 10 mm/s, and 12 mm/s) were evaluated. The scaffolds were characterized using X-ray diffraction (XRD), differential scanning calorimetry (DSC), and tensile testing to assess changes in crystallinity and mechanical properties. Additionally, the scaffolds were analyzed for crystal size and biocompatibility. The results demonstrated that increasing the extrusion temperature to 80°C, combined with a screw speed of 15 RPM and a deposition speed of 10 mm/s, significantly improved the crystallinity, compressive modulus, and thermal resistance of the PCL scaffolds. These findings suggest that by fine-tuning basic 3D printing parameters, it is possible to modulate the structural and mechanical properties of the scaffold, thereby enhancing its suitability for bone tissue regeneration.

Keywords: 3D printing, polymer, scaffolds, tissue engineering, crystallization

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Authors: Andrey V. Osipov, Sergey A. Kukushkin, Andrey V. Luk’yanov

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A method is developed for the solid-phase synthesis of epitaxial layers when the substrate itself is involved into a topochemical reaction and the reaction product grows in the interior of substrate layer. It opens up new possibilities for the relaxation of the elastic energy due to the attraction of point defects formed during the topochemical reaction in anisotropic media. The presented method of silicon carbide (SiC) formation employs a topochemical reaction between the single-crystalline silicon (Si) substrate and gaseous carbon monoxide (CO). The corresponding theory of interaction of point dilatation centers in anisotropic crystals is developed. It is eliminated that the most advantageous location of the point defects is the direction (111) in crystals with cubic symmetry. The single-crystal SiC films with the thickness up to 200 nm have been grown on Si (111) substrates owing to the topochemical reaction with CO. Grown high-quality single-crystal SiC films do not contain misfit dislocations despite the huge lattice mismatch value of ~20%. Also the possibility of growing of thick wide-gap semiconductor films on these templates SiC/Si(111) and, accordingly, its integration into Si electronics, is demonstrated. Finally, the ab initio theory of SiC formation due to the topochemical reaction has been developed.

Keywords: epitaxy, silicon carbide, topochemical reaction, wide-bandgap semiconductors

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

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

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

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Authors: Abdul Majid, Alia Jabeen, Nimra Zulifqar

Abstract:

The inorganic molecular crystal (IMCs) due to their unusual structure has grabbed a lot of attention due to anisotropy in crystal structure. The IMCs consist of the molecular structures joined together via weak forces. Therefore, a difference between the bonding between the inter-cage and intra-cage interactions exists. To look closely at the bonding and interactions, we investigated interactions between two cages of Sb2O3 structure. The interactions were characterized via Extended Transition State-Natural Orbital for Chemical Valence-method (ETS-NOCV), Natural Bond Orbitals (NBO) and Quantum Theory of Atoms in Molecules (QTAIM). The results revealed strong intra-cage covalent bonding while weak van der Waals (vdWs) interactions along inter-cages exits. This structure cannot be termed as layered material although they have anisotropy in bonding and presence of weak vdWs interactions but its bulk is termed as inorganic layered clusters. This is due to the fact that the free standing sheet/films with these materials are not possible. This type of structures may be the most feasible to be used for the system to deal with high pressures and stress bearing materials.

Keywords: inorganic molecular crystals, density functional theory, cages, interactions

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Authors: Anupoju Rajeev, Joanne Mathew, Amit Shelke

Abstract:

In the current study, a new type of Composite Structural Insulated Panels (CSIPs) is developed and investigated its performance against shock loading which can replace the conventional wooden structural materials. The CSIPs is made of Fibre Cement Board (FCB)/aluminum as the facesheet and the expanded polystyrene foam as the core material. As tornadoes are very often in the western countries, it is suggestable to monitor the health of the CSIPs during its lifetime. So, the composite structure is installed with three smart sensors located randomly at definite locations. Each smart sensor is fabricated with an embedded half stainless phononic crystal sensor attached to both ends of the nylon shaft that can resist the shock and impact on facesheet as well as polystyrene foam core and safeguards the system. In addition to the granular crystal sensors, the accelerometers are used in the horizontal spanning and vertical spanning with a definite offset distance. To estimate the health and damage of the CSIP panel using granular crystal sensor, shock wave loading experiments are conducted. During the experiments, the time of flight response from the granular sensors is measured. The main objective of conducting shock wave loading experiments on the CSIP panels is to study the effect and the sustaining capacity of the CSIP panels in the extreme hazardous situations like tornados and hurricanes which are very common in western countries. The effects have been replicated using a shock tube, an instrument that can be used to create the same wind and pressure intensity of tornado for the experimental study. Numerous experiments have been conducted to investigate the flexural strength of the CSIP. Furthermore, the study includes the damage detection using three smart sensors embedded in the CSIPs during the shock wave loading.

Keywords: composite structural insulated panels, damage detection, flexural strength, sandwich structures, shock wave loading

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

Abstract:

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

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

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Authors: Pavlo Selyshchev

Abstract:

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

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

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

Abstract:

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

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

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Authors: Yanan Zhu

Abstract:

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

Keywords: theoretical calculation, mechanism, mobility, organic transistors

Procedia PDF Downloads 137