Search results for: crystal model (CM)

Authors: Olumuyiwa Ayoola Kokapi, Olugbenga Solomon Bello

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Dyes are organic compounds with complex aromatic molecular structure that resulted in fast colour on a substance. Dye effluent found in wastewater generated from the dyeing industries is one of the greatest contributors to water pollution. Groundnut hull (GH) is an agricultural material that constitutes waste in the environment. Environmental contamination by hazardous organic chemicals is an urgent problem, which is partially solved through adsorption technologies. The choice of groundnut hull was promised on the understanding that some materials of agricultural origin have shown potentials to act as Adsorbate for hazardous organic chemicals. The aim of this research is to evaluate the potential of groundnut hull to adsorb Crystal violet dye through kinetic, isotherm and thermodynamic studies. The prepared groundnut hulls was characterized using Brunauer, Emmett and Teller (BET), Fourier transform infrared (FTIR) and scanning electron microscopy (SEM). Operational parameters such as contact time, initial dye concentration, pH, and effect of temperature were studied. Equilibrium time for the adsorption process was attained in 80 minutes. Adsorption isotherms used to test the adsorption data were Langmuir and Freundlich isotherms model. Thermodynamic parameters such as ∆G°, ∆H°, and ∆S° of the adsorption processes were determined. The results showed that the uptake of dye by groundnut hulls occurred at a faster rate, corresponding to an increase in adsorption capacity at equilibrium time of 80 min from 0.78 to 4.45 mg/g and 0.77 to 4.45mg/g with an increase in the initial dye concentration from 10 to 50 mg/L for pH 3.0 and 8.0 respectively. High regression values obtained for pseudo-second-order kinetic model, sum of square error (SSE%) values along with strong agreement between experimental and calculated values of qe proved that pseudo second-order kinetic model fitted more than pseudo first-order kinetic model. The result of Langmuir and Freundlich model showed that the adsorption data fit the Langmuir model more than the Freundlich model. Thermodynamic study demonstrated the feasibility, spontaneous and endothermic nature of the adsorption process due to negative values of free energy change (∆G) at all temperatures and positive value of enthalpy change (∆H) respectively. The positive values of ∆S showed that there was increased disorderliness and randomness at the solid/solution interface of crystal violet dye and groundnut hulls. The present investigation showed that, groundnut hulls (GH) is a good low-cost alternative adsorbent for the removal of Crystal Violet (CV) dye from aqueous solution.

Keywords: adsorption, crystal violet dye, groundnut halls, kinetics

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Authors: Burak Bal

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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

Procedia PDF Downloads 123

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

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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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Authors: Ilsun Pang, Kwanghun Kim, Sungsun Baik

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

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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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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

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

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

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

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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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Authors: C. Venkataraman B. E., J. Nagarajan B. E., V. Srinivasan M. Tech

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For a better understanding on sulfide stress corrosion cracking, a theoretical approach based on crystal structure, molecule behavior, flow of electrons and electrochemical reaction is developed. Its impact on different materials such as carbon steel, low alloy, alloy for sour (H2S) environments is studied. This paper describes the theories on various disaster and failures occurred in the industry by Stress Corrosion Cracking (SCC). Parameters such as pH of process fluid, partial pressure of CO2, O2, Chlorine, effect of internal pressure (crystal structure deformation by stress), and external environment condition are considered. An analytical line graph is then created for process fluid parameter verses time, temperature, induced/residual stress due to local pressure build-up. By comparison with the load test result of NACE and ASTM, it is possible to predict and simplify the control of SCC by use of materials like ferritic, Austenitic material in the oil and gas & petroleum industries.

Keywords: crystal structure deformation, failure assessment, alloy-environment combination, H2S

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Authors: Y. Shiren, M. Masuzawa, H. Ohkura, T. Yamagata, Y. Aman, N. Kobayashi

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An important problem for the CaSO4/CaSO4･1/2H2O Chemical heat pump (CHP) is that the material is deactivated through repetitive reaction between hydration and dehydration in which the crystal phase of the material is transformed from III-CaSO4 to II-CaSO4. We investigated suppression on the phase change by adding a sulfated compound. The most effective material was MgSO4. MgSO4 doping increased the durability of CaSO4 in the actual CHP repetitive cycle of hydration/dehydration to 3.6 times that of undoped CaSO4. The MgSO4-doped CaSO4 showed a higher phase transition temperature and activation energy for crystal transformation from III-CaSO4 to II-CaSO4. MgSO4 doping decreased the crystal lattice size of CaSO4･1/2H2O and II-CaSO4 to smaller than that of undoped CaSO4. Modification of the crystal structure is considered to be related to the durability change in CaSO4 resulting from MgSO4 doping.

Keywords: CaSO4, chemical heat pump, durability of chemical heat storage material, heat storage

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Authors: Chien-Wan Hun, Shao-Fu Chang, Chien-Chon Chen, Ker-Jer Huang

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This study presents how to use a high-efficiency process for producing cesium iodide (CsI) crystal columns by rapid heating method. In the past, the heating rate of the resistance wire heating furnace was relatively slow and excessive iodine and CsI vapors were therefore generated during heating. Because much iodine and CsI vapors are produced during heating process, the composition of CsI crystal columns is not correct. In order to enhance the heating rate, making CsI material in the heating process can quickly reach the melting point temperature. This study replaced the traditional type of external resistance heating furnace with halogen-type quartz heater, and then, CsI material can quickly reach the melting point. Eventually, CsI melt can solidify in the anodic aluminum template forming CsI crystal columns.

Keywords: cesium iodide, high efficiency, vapor, rapid heating, crystal column

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Authors: Peter K. Galenko, Stefanie Koch, Markus Rettenmayr, Robert Wonneberger, Evgeny V. Kharanzhevskiy, Maria Zamoryanskaya, Vladimir Ankudinov

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We analyze the structure of undercooled melts, crystal growth kinetics and amorphous/crystalline microstructure of rapidly solidifying glass-forming Pd-based and CuZr-based alloys. A dendrite growth model is developed using a combination of the kinetic phase-field model and mesoscopic sharp interface model. The model predicts features of crystallization kinetics in alloys from thermodynamically controlled growth (governed by the Gibbs free energy change on solidification) to the kinetically limited regime (governed by atomic attachment-detachment processes at the solid/liquid interface). Comparing critical undercoolings observed in the crystallization kinetics with experimental data on melt viscosity, atomistic simulation's data on liquid microstructure and theoretically predicted dendrite growth velocity allows us to conclude that the dendrite growth kinetics strongly depends on the cluster structure changes of the melt. The obtained data of theoretical and experimental investigations are used for interpretation of microstructure of samples processed in electro-magnetic levitator on board International Space Station in the frame of the project "MULTIPHAS" (European Space Agency and German Aerospace Center, 50WM1941) and "KINETIKA" (ROSKOSMOS).

Keywords: dendrite, kinetics, model, solidification

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Authors: Roumaissa Derdour, Lebbal Mohamed Redha

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We present a study of the transmission of the all-optical logic gate using a structure connected with a triangular photonic crystal lattice that is improved. The proposed logic gate consists of a photonic crystal nano-resonator formed by changing the size of the air holes. In addition to the simplicity, the response time is very short, and the designed nano-resonator increases the bit rate of the logic gate. The two-dimensional finite difference time domain (2DFDTD) method is used to simulate the structure; the transmission obtained is about 98% with very negligible losses. The proposed photonic crystal AND logic gate is widely used in future integrated optical microelectronics.

Keywords: logic gates, photonic crystals, optical integrated circuits, resonant cavities

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Authors: Reneiloe Seodigeng, John Kabuba, Hilary Rutto, Tumisang Seodigeng

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Urine diversion toilets have become popular as a means of solving the challenges in sanitation. As a result, the source-separated urine must be adequately treated so that it can be disposed of safely and valuable struvite can be extracted for use as fertilizer. In this study, synthetic urine was prepared, and struvite crystallisation experiments carried out using magnesium nitrate. The effect of residence time on crystal growth was studied. At residence time of 10, 30 and 60 minutes, mean particle sizes were 17, 34 and 53 µm showing that with higher residence times, larger crystal sizes can be achieved. SEM analysis of the crystal showed that the resultant crystals had the typical morphology of struvite crystals.

Keywords: struvite, magnesium nitrate, crystallisation, urine treatment

Procedia PDF Downloads 133

Authors: M. Javadzadeh, H. Khoshsima

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In this article, we present a layout printing way for producing Fresnel zone on 1294-1b doped liquid crystal with Methyl-Red azo dye. We made a Fresnel zone mask with 25 zones and radius of 5 mm using lithography technique. With layout printing way, we recorded mask’s pattern on cell with λ=532 nm solid-state diode pump laser. By recording Fresnel zone pattern on cell and making Fresnel pattern on the surface of cell, odd and even zones, will form. The printed pattern, because of Azo dye’s photoisomerization, was permanent. Experimentally, we saw focal length tunability from 32 cm to 43 cm.

Keywords: liquid crystal, lens, Fresnel zone, diffraction, Fresnel lens

Procedia PDF Downloads 175

Authors: Chien Chon Chen, Chun Mei Chu, Chuan Ju Wang, Chih Yuan Chen, Ker Jer Huang

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Cesiumiodide with Na doping (CsI(Na)) solution or melt is easily forming three- dimension dendrites on the free surface. The defects or bobbles form inside the CsI(Na) during the solution or melt solidification. The defects or bobbles can further effect the x-ray path in the CsI(Na) crystal and decrease the scintillation characteristics of CsI(Na). In order to enhance the CsI(Na) scintillated property we made single crystal of CsI(Na) column in the anodic aluminum oxide (AAO) template by hydraulic pressure injection method. It is interesting that when CsI(Na) melt is confined in the small AAO channels, the column grow as stable single column without any dendrites. The high aspect ratio (100~10000) of AAO and nano to sub-micron channel structure which is a suitable template for single of crystal CsI(Na) formation. In this work, a new low-cost approach to fabricate scintillator crystals using anodic aluminum oxide (AAO) rather than Si is reported, which can produce scintillator crystals with a wide range of controllable size to optimize their performance in X-ray detection.

Keywords: cesiumiodide, AAO, scintillator, crystal, X-ray

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Authors: Maninderjeet K. Grewal, Sakshi Bhatnor, Renu Chadha

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The composition of pharmaceutical entities and the molecular interactions can be altered to optimize drug properties such as solubility and bioavailability by the crystal engineering technique. The present work has emphasized on the preparation, characterization, and biopharmaceutical evaluation of co-crystal of BCS Class II anti-osteoarthritis drug, Oxaprozin (OXA) with aspartic acid (ASPA) as co-former. The co-crystals were prepared through the mechanochemical solvent drop grinding method. Characterization of the prepared co-crystal (OXA-ASPA) was done by using analytical tools such as differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), powder X-ray diffraction (PXRD). DSC thermogram of OXA-ASPA cocrystal showed a single sharp melting endotherm at 235 ºC, which was between the melting peaks of the drug and the counter molecules suggesting the formation of a new phase which is a co-crystal that was further confirmed by using other analytical techniques. FT-IR analysis of OXA-ASPA cocrystal showed a shift in a hydroxyl, carbonyl, and amine peaks as compared to pure drugs indicating all these functional groups are participating in cocrystal formation. The appearance of new peaks in the PXRD pattern of cocrystals in comparison to individual components showed that a new crystalline entity has been formed. The Crystal structure of cocrystal was determined using material studio software (Biovia) from PXRD. The equilibrium solubility study of OXA-ASPA showed improvement in solubility as compared to pure drug. Therefore, it was envisioned to prepare the co-crystal of oxaprozin with a suitable conformer to modulate its physiochemical properties and consequently, the biopharmaceutical parameters.

Keywords: cocrystals, coformer, oxaprozin, solubility

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Authors: Vipan Kumar Sohpal

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Temperature effect on the adsorption of crystal violet dye (CVD) was investigated using a castor leaf powder (CLP) that was prepared from the mature leaves of castor trees, through chemical reaction. The optimum values of pH (8), adsorbent dose (10g/L), initial dye concentration (10g/L), time (2hrs), and stirrer speed (120 rpm) were fixed to investigate the influence of temperature on adsorption capacity, percentage of removal of dye and free energy. A central composite design (CCD) was successfully employed for experimental design and analysis of the results. The combined effect of temperature, absorbance, and concentration on the dye adsorption was studied and optimized using response surface methodology. The optimum values of adsorption capacity, percentage of removal of dye and free energy were found to be 0.965(mg/g), 93.38 %, -8202.7(J/mol) at temperature 55.97 °C having desirability > 90% for removal of crystal violet dye respectively. The experimental values were in good agreement with predicted values.

Keywords: crystal violet dye, CVD, castor leaf powder, CLP, response surface methodology, temperature, optimization

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Authors: C. K. Ngaw

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Crystal facet engineering, which involves tuning and controlling a crystal surface and morphology, is a commonly employed strategy to optimize the performance of crystalline nanocrystals. The principle behind this strategy is that surface atomic rearrangement and coordination, which inherently determines their catalytic activity, can be easily tuned by morphological control. Because of this, the catalytic properties of a nanocrystal are closely related to the surface of an exposed facet, and it has provided great motivation for researchers to synthesize photocatalysts with high catalytic activity by maximizing reactive facets exposed through morphological control. In this contribution, octahedral NaInS₂ crystals have been successfully developed via solvothermal method. The formation of the octahedral NaInS₂ crystals was investigated using field emission scanning electron microscope (FESEM) and X-Ray diffraction (XRD), and results have shown that the concentration of sulphur precursor plays an important role in the growth process, leading to the formation of other NaInS₂ crystal structures in the form of hexagonal nanosheets and microspheres. Structural modeling analysis suggests that the octahedral NaInS₂ crystals were enclosed with {012} and {001} facets, while the nanosheets and microspheres are bounded with {001} facets only and without any specific facets, respectively. Visible-light photocatalytic H₂ evolution results revealed that the octahedral NaInS₂ crystals (~67 μmol/g/hr) exhibit ~6.1 and ~2.3 times enhancement as compared to the conventional NaInS₂ microspheres (~11 μmol/g/hr) and nanosheets (~29 μmol/g/hr), respectively. The H₂ enhancement of the NaInS₂ octahedral crystal is attributed to the presence of {012} facets on the surface. Detailed analysis of the octahedron model revealed obvious differences in the atomic arrangement between the {001} and {012} facets and this can affect the interaction between the water molecules and the surface facets before reducing into H₂ gas. These results highlight the importance of tailoring crystal morphology with highly reactive facets in improving photocatalytic properties.

Keywords: H₂ evolution, photocatalysis, octahedral, reactive facets

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Authors: Feng Wei, Lu Wenzhuang, Cai Wenjun, Yu Yaping, Basnet Rabin, Zuo Dunwen

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Diamond coatings were prepared on cemented carbide by hot filament chemical vapor deposition (HFCVD) method. Lapping experiment of single-crystal sapphire wafer was carried out using the prepared diamond coated tools. The diamond coatings and machined surface of the sapphire wafer were evaluated by SEM, laser confocal microscope and Raman spectrum. The results indicate that the lapping sapphire chips are small irregular debris and long thread-like debris. There is graphitization of diamond crystal during the lapping process. A low surface roughness can be obtained using a spherical grain diamond coated tool.

Keywords: lapping, nano-micro crystalline diamond coating, Raman spectrum, sapphire

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Authors: Indu Verma, Santanu Kumar Pal

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

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

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Authors: Lukman O. Alimi, Vincent J. Smith, Leonard J. Barbour

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The thermosalient effect is an extremely rare propensity of certain crystalline solids for self-actuation by elastic deformation or a ballistic event1. Thermosalient compounds, colloquially known as ‘jumping crystals’ are promising materials for fabrication of actuators that are also being considered as materials for clean energy conversion because of their capabilities to convert thermal energy into mechanical motion directly. Herein, an organic aminonitrile and its derivatives have been probed by a combination of structural, microscopic and thermoanalytical techniques. Crystals of these compounds were analysed by means of single crystal XRD and hotstage microscopy in the temperature range of 100 to 298 K and found to exhibit the thermosalient effect. We also carried out differential scanning calorimetric analysis at the temperature corresponding to that at which the crystal jumps as observed under a hotstage microscope.

Keywords: aminonitrile, jumping crystal, self actuation, thermosalient effect

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Authors: Indraj Singh, Xuan Lee, Yu-Chieh Cheng

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Scientists are very keen on biomimetic research that mimics biological species to micro-robotic devices with the novel functionalities and accessibility. The source of inspiration is the complexity, sophistication, and intelligence of the biological systems. In this work, we design a light-driven star-shaped microgripper, an autonomous soft device which can change the shape under the external stimulus such as light. The design is based on light-responsive Liquid Crystal Elastomers which fabricated onto the polymer coated aligned substrate. The change in shape, controlled by the anisotropicity and the molecular orientation of the Liquid Crystal Elastomer, based on the external stimulus. This artificial star-shaped microgripper is capable of autonomous closure and capable to grab the objects in response to an external stimulus. This external stimulus-responsive materials design, based on soft active smart materials, provides a new approach to autonomous, self-regulating optical systems.

Keywords: liquid crystal elastomers, microgripper, smart materials, robotics

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Authors: Bilal Tebboub, AmelLabbani

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This article introduces a compact sensor based on high-transmission, high-sensitivity two-dimensional photonic crystals. The photonic crystal consists of a square network of silicon rods in the air. The sensor is composed of two waveguide couplers and a microcavity designed for monitoring the percentage of hydrogen in the air and identifying gas types. Through the Finite-Difference Time-Domain (FDTD) method, we demonstrate that the sensor's resonance wavelength is contingent upon changes in the gas refractive index. We analyze transmission spectra, quality factors, and sensor sensitivity. The sensor exhibits a notable quality factor and a sensitivity value of 1374 nm/RIU. Notably, the sensor's compact structure occupies an area of 74.5 μm2, rendering it suitable for integrated optical circuits.

Keywords: 2-D photonic crystal, sensitivity, F.D.T.D method, label-free biosensing

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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: Yumee Kim, Seung-Guk Hyeon, Kukjin Chun

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An adjustable aperture using a liquid crystal is proposed for real-time range detection and obtaining images simultaneously. The adjustable aperture operates as two types of aperture stops which can create two different Depth of Field images. By analyzing these two images, the distance can be extracted from camera to object. Initially, the aperture stop has large size with zero voltage. When the input voltage is applied, the aperture stop transfer to smaller size by orientational transition of liquid crystal molecules in the device. The diameter of aperture stop is 1.94mm and 1.06mm. The proposed device has low driving voltage of 7.0V and fast response time of 6.22m. Compact size aperture of 6×6×1.1 mm3 is assembled in conventional camera which contain 1/3” HD image sensor and focal length of 3.3mm that can be used in autonomous. The measured range was up to 5m. The adjustable aperture has high stability due to no mechanically moving parts. This range sensor can be applied to the various field of 3D depth map application which is the Advanced Driving Assistance System (ADAS), drones and manufacturing machine.

Keywords: adjustable aperture, dual aperture, liquid crystal, ranging and imaging, ADAS, range sensor

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Authors: Salima Tabti, Amel Djedouani., Djouhra Aggoun, Ismail Warad

Abstract:

The reaction of copper (II) with 4-hydroxy-3-[(2E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one (HL) lead to a new complexe: Cu(L)₂(DMF)₂. The crystal structure of the Cu(L)₂(DMF)₂ complex have been determined by X-ray diffraction methods. The Cu(II) lying on an inversion centre is coordinated to six oxygen atoms forming an octahedral elongated. Additionally, the electrochemical behavior of the metal complexe was investigated by cyclic voltammetry at a glassy carbon electrode (GC) in CH₃CN solution, showing the quasi-reversible redox process ascribed to the reduction of the MII/MI couple. The X-ray single crystal structure data of the complex was matched excellently with the optimized monomer structure of the desired compound; Hirschfeld surface analysis supported the packed crystal lattice 3D network intermolecular forces.

Keywords: chalcones, cyclic voltametry, X-ray, Hirschfeld surface

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Authors: Risti Suryantari, Flaviana

Abstract:

The aim of this research is to design calibration method of Thermochromic Liquid Crystal for temperature distribution measurement based on mathematical morphology of hue image A glass of water is placed on the surface of sample TLC R25C5W at certain temperature. We use scanner for image acquisition. The true images in RGB format is converted to HSV (hue, saturation, value) by taking of hue without saturation and value. Then the hue images is processed based on mathematical morphology using Matlab2013a software to get better images. There are differences on the final images after processing at each temperature variation based on visualization observation and the statistic value. The value of maximum and mean increase with rising temperature. It could be parameter to identify the temperature of the human body surface like hand or foot surface.

Keywords: thermochromic liquid crystal, TLC, mathematical morphology, hue image

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Authors: V. Yu. Volgutov, A. I. Orlova, S. A. Khainakov

Abstract:

NaZr2(PO4)3 (NZP) and their structural analogues are characterized by a peculiar behaviors on heating – they have different expansion and contraction along different crystallographic directions due to specific arrangements of crystal structure in these compounds. An important feature of such structures is the ability to incorporate into their structural analogues wide variety of metal cations having different size and oxidation states, with different combinations and concentrations. These cations are located in different crystallographic non-equivalent positions of octahedral tetrahedral crystal framework as well as in inter-framework cavities. Through, due to iso- and hetero-valent isomorphism of the cations (and the anions) in NZP, it becomes possible to tuning the compositions and to obtain the compounds with ‘on a plan’ properties. For the design of compounds with low and ultra-low thermal expansion including those with tailored thermal expansion properties, the following crystallochemical principles it seems are promising: 1) Insertion into crystal M1 position the cations having different sizes and, 2) the variation in the composition of compounds, providing different occupation of crystal M1 position. Following these principles we have designed and synthesized the next NZP-type phosphates series: a) where radii of the cations in the M1 crystal position was varied: Zr1/4Zr2(PO4)3 - Th1/4Zr2(PO4)3 (series I); R1/3Zr2(PO4)3 where R= Nd, Eu, Er (series II), b) where the occupation of M1 crystal position was varied: Zr1/4Zr2(PO4)3-Er1/3Zr2(PO4)3 (series III) and Zr1/4Zr2(PO4)3-Sr1/2Zr2(PO4)3 (series IV). The thermal expansion parameters were determined over the range of 25-800ºC. For each series the minimum axial coefficient of thermal expansion αa = αb, αc and their anisotropy Δα = Iαa - αcI, 10-6 K-1 was found as next: -1.51, 1.07, 2.58 for Th1/4Zr2(PO4)3 (series I); -0.72, 0.10, 0.81 for Nd1/3Zr2(PO4)3 (series II); -2.78, 1.35, 4.12 for Er1/6Zr1/8Zr2(PO4)3 (series III); 2.23, 1.32, 0.91 for Sr1/2Zr2(PO4)3 (series IV). The measured tendencies of the thermal expansion of crystals were in good agreement with predicted ones. For one of the members from the studied phosphates namely Th1/16Zr3/16Zr2(PO4)3 structural refinement have been carried out at 25, 200, 600, and 800°C. The dependencies of the structural parameters with the temperature have been determined.

Keywords: high-temperature crystallography, NaZr2(PO4)3, (NZP) analogs, structural-chemical principles, tuning thermal expansion

Procedia PDF Downloads 211