Search results for: crystals
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 273

Search results for: crystals

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

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

Abstract:

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

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

Procedia PDF Downloads 336
182 Influence of Rotation on Rayleigh-Type Wave in Piezoelectric Plate

Authors: Soniya Chaudhary, Sanjeev Sahu

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Propagation of Rayleigh-type waves in a rotating piezoelectric plate is investigated. The materials are assumed to be transversely isotropic crystals. The frequency equation have been derived for electrically open and short cases. Effect of rotation and piezoelectricity have been shown. It is also found that piezoelectric material properties have an important effect on Rayleigh wave propagation. The result is relevant to the analysis and design of various acoustic surface wave devices constructed from piezoelectric materials also in SAW devices.

Keywords: rotation, frequency equation, piezoelectricity, rayleigh-type wave

Procedia PDF Downloads 275
181 Defect Modes in Multilayered Piezoelectric Structures

Authors: D. G. Piliposyan

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Propagation of electro-elastic waves in a piezoelectric waveguide with finite stacks and a defect layer is studied using a modified transfer matrix method. The dispersion equation for a periodic structure consisting of unit cells made up from two piezoelectric materials with metallized interfaces is obtained. An analytical expression, for the transmission coefficient for a waveguide with finite stacks and a defect layer, that is found can be used to accurately detect and control the position of the passband within a stopband. The result can be instrumental in constructing a tunable waveguide made of layers of different or identical piezoelectric crystals and separated by metallized interfaces.

Keywords: piezoelectric layered structure, periodic phononic crystal, bandgap, bloch waves

Procedia PDF Downloads 190
180 Influence of Thermal Annealing on Phase Composition and Structure of Quartz-Sericite Minerale

Authors: Atabaev I. G., Fayziev Sh. A., Irmatova Sh. K.

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Raw materials with high content of Kalium oxide widely used in ceramic technology for prevention or decreasing of deformation of ceramic goods during drying process and under thermal annealing. Becouse to low melting temperature it is also used to decreasing of the temperature of thermal annealing during fabrication of ceramic goods [1,2]. So called “Porceline or China stones” - quartz-sericite (muscovite) minerals is also can be used for prevention of deformation as the content of Kalium oxide in muscovite is rather high (SiO2, + KAl2[AlSi3O10](OH)2). [3] . To estimation of possibility of use of this mineral for ceramic manufacture, in the presented article the influence of thermal processing on phase and a chemical content of this raw material is investigated. As well as to other ceramic raw materials (kaoline, white burning clays) the basic requirements of the industry to quality of "a porcelain stone» are following: small size of particles, relative high uniformity of disrtribution of components and phase, white color after burning, small content of colorant oxides or chromophores (Fe2O3, FeO, TiO2, etc) [4,5]. In the presented work natural minerale from the Boynaksay deposit (Uzbekistan) is investigated. The samples was mechanically polished for investigation by Scanning Electron Microscope. Powder with size of particle up to 63 μm was used to X-ray diffractometry and chemical analysis. The annealing of samples was performed at 900, 1120, 1350oC during 1 hour. Chemical composition of Boynaksay raw material according to chemical analysis presented in the table 1. For comparison the composition of raw materials from Russia and USA are also presented. In the Boynaksay quartz – sericite the average parity of quartz and sericite makes 55-60 and 30-35 % accordingly. The distribution of quartz and sericite phases in raw material was investigated using electron probe scanning electronic microscope «JEOL» JXA-8800R. In the figure 1 the scanning electron microscope (SEM) micrograps of the surface and the distributions of Al, Si and K atoms in the sample are presented. As it seen small granular, white and dense mineral includes quartz, sericite and small content of impurity minerals. Basically, crystals of quartz have the sizes from 80 up to 500 μm. Between quartz crystals the sericite inclusions having a tablet form with radiant structure are located. The size of sericite crystals is ~ 40-250 μm. Using data on interplanar distance [6,7] and ASTM Powder X-ray Diffraction Data it is shown that natural «a porcelain stone» quartz – sericite consists the quartz SiO2, sericite (muscovite type) KAl2[AlSi3O10](OH)2 and kaolinite Al203SiO22Н2О (See Figure 2 and Table 2). As it seen in the figure 3 and table 3a after annealing at 900oC the quartz – sericite contains quartz – SiO2 and muscovite - KAl2[AlSi3O10](OH)2, the peaks related with Kaolinite are absent. After annealing at 1120oC the full disintegration of muscovite and formation of mullite phase Al203 SiO2 is observed (the weak peaks of mullite appears in fig 3b and table 3b). After annealing at 1350oC the samples contains crystal phase of quartz and mullite (figure 3c and table 3с). Well known Mullite gives to ceramics high density, abrasive and chemical stability. Thus the obtained experimental data on formation of various phases during thermal annealing can be used for development of fabrication technology of advanced materials. Conclusion: The influence of thermal annealing in the interval 900-1350oC on phase composition and structure of quartz-sericite minerale is investigated. It is shown that during annealing the phase content of raw material is changed. After annealing at 1350oC the samples contains crystal phase of quartz and mullite (which gives gives to ceramics high density, abrasive and chemical stability).

Keywords: quartz-sericite, kaolinite, mullite, thermal processing

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179 Influence of Initial Stress and Corrugation on Rayleigh-Type Wave in Piezomagnetic Half-Space

Authors: Abhinav Singhal, Sanjeev A. Sahu

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Propagation of Rayleigh-type surface waves in an initially stressed piezomagnetic half- space with irregular boundary is investigated. The materials are assumed to be transversely isotropic crystals. The dispersion relations have been derived for electrically open and short cases. Effect of initial stress and corrugation have been shown graphically. It is also found that piezomagnetic material properties have an important effect on wave propagation. The result is relevant to the analysis and design of various acoustic surface wave devices constructed from piezomagnetic materials.

Keywords: corrugation, frequency equation, piezomagnetic, rayleigh-type wave

Procedia PDF Downloads 230
178 Recovery of Cd (II) and Pb (II) under the Effect of Temperature with the Synthetic Zeolite NaA

Authors: Karima Menad, Ahmed Feddag

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In this study, large crystals of the zeolite NaA were synthesized by hydrothermal way. By following this zeolite was used to recover two heavy metals that are allowing the most dangerous toxic, lead and cadmium. The synthesized zeolite was analyzed by XRD and SEM aims to verify its purity and its good morphology; after it was undergoing ion exchange operations by aqueous solution with lead and cadmium in two salts Pb(CH3COOH)2 and CdCl2 at different concentrations. The exchange was carried out under the effect of two temperatures (25 °C and 60 °C). The contents of Pb++, Cd++ and Na+ were analyzed by atomic absorption and the results are given in the form of exchange rates. At the end the samples are analyzed by XRD exchanged to confirm their conservation of their zeolite framework. It is found that the exchange rate increases with the increase of initial concentration and the best results are found for the temperature of 60 °C.

Keywords: exchange rate, ion exchange, LTA zeolite, zeolite NaA

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177 Microstructure of Hydrogen Permeation Barrier Coatings

Authors: Motonori Tamura

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Ceramics coatings consisting of fine crystal grains, with diameters of about 100 nm or less, provided superior hydrogen-permeation barriers. Applying TiN, TiC or Al₂O₃ coatings on a stainless steel substrate reduced the hydrogen permeation by a factor of about 100 to 5,000 compared with uncoated substrates. Effect of the microstructure of coatings on hydrogen-permeation behavior is studied. The test specimens coated with coatings, with columnar crystals grown vertically on the substrate, tended to exhibit higher hydrogen permeability. The grain boundaries of the coatings became trap sites for hydrogen, and microcrystalline structures with many grain boundaries are expected to provide effective hydrogen-barrier performance.

Keywords: hydrogen permeation, tin coating, microstructure, crystal grain, stainless steel

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176 Cost-Effective Soft Lithography of Organic Semiconductors in Organic Field-Effect Transistors (OFETs)

Authors: Tae Kyu An

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We demonstrate repurposing linear micropatterns on the CD as a master mold to fabricate TIPS-PEN microwires. From the micropatterns on CDs, we replicated polyurethane acrylate (PUA) templates which are robust and flexible until submicrometer scale patterns. Subsequently, 1.5 μm TIPS-PEN microwires separated by 1.5 μm were grown. Using crystal analysis tools with polarized optical microscopy and X-ray diffraction measurement, it was revealed that each TIPS-PEN microwires are highly crystalline and uniform compared to spin-coated films. It is attributed to the template-guided growth of TIPS-PEN crystals along the linear template, thus the OFETs comprised of TIPS-PEN microwires displayed the high field-effect mobility.

Keywords: compact disk, macro patterning, OFET, soft lithography

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175 Structural Investigation of the GAF Domain Protein BPSL2418 from Burkholderia pseudomallei

Authors: Mona G. Alharbi

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A new family of methionine-sulfoxide reductase (Msr) was recently discovered and was named free methionine sulfoxide reductase (fRMsr). This family includes enzymes with a reductase activity toward the free R isomer of a methionine sulfoxide substrate. The fRMsrs have a GAF domain topology, a domain, which was previously identified as having in some cases a cyclic nucleotide phosphodiesterase activity. The classification of fRMsrs as GAF domains revealed a new function can be added to the GAF domain family. Interestingly the four members identified in the fRMsr family share the GAF domain structure and the presence of three conserved cysteines in the active site with free R methionine sulfoxide substrate specificity. This thesis presents the crystal structures of reduced, free Met-SO substrate-bound and MES-bound forms of a new fRMsr from Burkholderia pseudomallei (BPSL2418). BPSL2418 was cloned, overexpressed and purified to enable protein crystallization. The crystallization trials for reduced, Met-SO-bound and MES-bound forms of BPSL2418 were prepared and reasonable crystals of each form were produced. The crystal structures of BPSL2418MES, BPSL2418Met-SO and BPSL2418Reduced were solved at 1.18, 1.4 and 2.0Å, respectively by molecular replacement. The BPSL2418MES crystal belongs to space group P 21 21 21 while BPSL2418Met-SO and BPSL2418Reduced crystals belong to space group P 1 21 1. All three forms share the GAF domain structure of six antiparallel β-strands and four α-helices with connecting loops. The antiparallel β-strands (β1, β2, β5 and β6) are located in the center of the BPSL2418 structure flanked on one side by a three α-helices (α1, α2 and α4) and on the other side by a (loop1, β3, loop2, α3, β4 loop4) unit where loop4 forms a capping flap and covers the active site. The structural comparison of the three forms of BPSL2418 indicates that the catalytically important cysteine is CYS109, where the resolving cysteine is CYS75, which forms a disulfide bond with CYS109. They also suggest that the third conserved cysteine in the active site, CYS85, which is located in α3, is a non-essential cysteine for the catalytic function but it may play a role in the binding of the substrate. The structural comparison of the three forms reveals that conformational changes appear in the active site particularly involving loop4 and CYS109 during catalysis. The 3D structure of BPSL2418 shows strong structure similarity to fRMsrs enzymes, which further suggests that BPSL2418 acts as a free Met-R-SO reductase and shares the catalytic mechanism of fRMsr family.

Keywords: Burkholderia pseudomallei, GAF domain protein, methionine sulfoxide reductase, protein crystallization

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174 Efficiently Silicon Metasurfaces at Visible Light

Authors: Juntao Li

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

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

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173 Copper Removal from Synthetic Wastewater by a Novel Fluidized-bed Homogeneous Crystallization (FBHC) Technology

Authors: Cheng-Yen Huang, Yu-Jen Shih, Ming-Chun Yen, Yao-Hui Huang

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This research developed a fluidized-bed homogeneous crystallization (FBHC) process to remove copper from synthetic wastewater in terms of recovery of highly pure malachite (Cu2(OH)2CO3) pellets. The experimental parameters of FBHC which included pH, molar ratio of copper to carbonate, copper loading, upper flowrate and bed height were tested in the absence of seed particles. Under optimized conditions, both the total copper removal (TR) and crystallization ratio (CR) reached 99%. The malachite crystals were characterized by XRD and SEM. FBHC was capable of treating concentrated copper (1600 ppm) wastewater and minimizing the sludge production.

Keywords: copper, carbonate, fluidized-bed, crystallization, malachite

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172 Multimetallic and Multiferocenyl Assemblies of Ferocenyl-Based Dithiophospohonate and Their Electrochemical Properties

Authors: J. Tomilla Ajayi, Werner E. Van Zyl

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This work presents an overview of the reaction of 2, 4-diferrocenyl-1, 3-dithiadiphosphetane-2, 4-disulfide (Ferrocenyl Lawesson’s reagent) with water to produce the non-symmetric, ferocenyl dithiophosphonic acid respectively in high yields. These acids were readily deprotonated by anhydrous Ammonia to yield the corresponding ammonium salt NH4S2PFcOH. These were complex to Ni (II) in molar ratio 1:1 and 1:2. The resulting complex from the reaction formed same compound with different isomers (Cis and Trans) and also compound with multimetallic coordination. Quality X-ray crystals were formed from THF/Ether. The compounds were characterized by 1H, 31P NMR, and FTIR. Bulk purity were confirmed by either ESI-MS or elemental analysis and The XRD images were obtained using single crystal X-ray crystallographic studies. The electrochemical investigation of the Compounds were carried out using cyclic voltammetry.

Keywords: ferrocenyl, dithiophosphonate, isomer, coordination

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171 Water Desalination by Membrane Distillation with MFI Zeolite Membranes

Authors: Angelo Garofalo, Laura Donato, Maria Concetta Carnevale, Enrico Drioli, Omar Alharbi, Saad Aljlil, Alessandra Criscuoli, Catia Algieri

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Nowadays, water scarcity may be considered one of the most important and serious questions concerning our community: in fact, there is a remarkable mismatch between water supply and water demand. Exploitation of natural fresh water resources combined with higher water demand has led to an increased requirement for alternative water resources. In this context, desalination provides such an alternative source, offering water otherwise not accessible for irrigational, industrial and municipal use. Considering the various drawbacks of the polymeric membranes, zeolite membranes represent a potential device for water desalination owing to their high thermal and chemical stability. In this area wide attention was focused on the MFI (silicalite, ZSM-5) membranes, having a pore size lower (about 5.5 Å) than the major kinetic diameters of hydrated ions. In the present work, a scale-up for the preparation of supported silicalite membranes was performed. Therefore, tubular membranes 30 cm long were synthesized by using the secondary growth method coupled with the cross flow seeding procedure. The secondary growth presents two steps: seeding and growth of zeolite crystals on the support. This process, decoupling zeolite nucleation from crystals growth, permits to control the conditions of each step separately. The seeding procedure consists of a cross-flow filtration through a porous support coupled with the support rotation and tilting. The combination of these three different aspects allows a homogeneous and uniform coverage of the support with the zeolite seeds. After characterization by scanning electron microscope (SEM), X-ray diffractometry (XRD) and Energy-dispersive X-ray (EDX) analysis, the prepared membranes were tested by means of single gas permeation and then by Vacuum Membrane Distillation (VMD) using both deionized water and NaCl solutions. The experimental results evidenced the possibility to perform the scale up for the preparation of almost defect free silicalite membranes. VMD tests indicated the possibility to prepare membranes that exhibit interesting performance in terms of fluxes and salt rejections for concentrations from 0.2 M to 0.9 M. Furthermore, it was possible to restore the original performance of the membrane after an identified cleaning procedure. Acknowledgements: The authors gratefully acknowledge the support of the King Abdulaziz City for Science and Technology (KACST) for funding the research Project 895/33 entitled ‘Preparation and Characterization of Zeolite Membranes for Water Treatment’.

Keywords: desalination, MFI membranes, secondary growth, vacuum membrane distillation

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170 Hydrothermal Synthesis of ZIF-7 Crystals and Their Composite ZIF-7/CS Membranes for Water/Ethanol Separation

Authors: Kai-Sheng Ji, Yi-Feng Lin

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The pervaporation process for solvent and water separation has attracted research attention due to its lower energy consumption compared with conventional distillation processes. The membranes used for the pervaporation approach should exhibit high flux and separation factors. In this study, the ZIF-7 crystal particles were successfully incorporated into chitosan (CS) membranes to form ZIF-7/CS mixed-matrix membranes. The as-prepared ZIF-7/CS mixed-matrix membranes were used to separate mixtures of water/ethanol at 25℃ in the pervaporation process. The mixed-matrix membranes with different ZIF-7 wt% incorporation showed better separation efficiency than the pristine CS membranes because of the smaller pore size of the mixed-matrix membranes. The separation factor and the flux of the ZIF-7/CS membranes clearly exceed the upper limit of the previously reported CS-based and mixed-matrix membranes.

Keywords: pervaporation, chitosan, ZIF-7, memberane separation

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169 Pyridine-N-oxide Based AIE-active Triazoles: Synthesis, Morphology and Photophysical Properties

Authors: Luminita Marin, Dalila Belei, Carmen Dumea

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Aggregation induced emission (AIE) is an intriguing optical phenomenon recently evidenced by Tang and his co-workers, for which aggregation works constructively in the improving of light emission. The AIE challenging phenomenon is quite opposite to the notorious aggregation caused quenching (ACQ) of light emission in the condensed phase, and comes in line with requirements of photonic and optoelectronic devices which need solid state emissive substrates. This paper reports a series of ten new aggregation induced emission (AIE) low molecular weight compounds based on triazole and pyridine-N-oxide heterocyclic units bonded by short flexible chains, obtained by a „click” chemistry reaction. The compounds present extremely weak luminescence in solution but strong light emission in solid state. To distinguish the influence of the crystallinity degree on the emission efficiency, the photophysical properties were explored by UV-vis and photoluminescence spectroscopy in solution, water suspension, amorphous and crystalline films. On the other hand, the compound morphology of the up mentioned states was monitored by dynamic light scattering, scanning electron microscopy, atomic force microscopy and polarized light microscopy methods. To further understand the structural design – photophysical properties relationship, single crystal X-ray diffraction on some understudy compounds was performed too. The UV-vis absorption spectra of the triazole water suspensions indicated a typical behaviour for nanoparticle formation, while the photoluminescence spectra revealed an emission intensity enhancement up to 921-fold higher of the crystalline films compared to solutions, clearly indicating an AIE behaviour. The compounds have the tendency to aggregate forming nano- and micro- crystals in shape of rose-like and fibres. The crystals integrity is kept due to the strong lateral intermolecular forces, while the absence of face-to-face forces explains the enhanced luminescence in crystalline state, in which the intramolecular rotations are restricted. The studied flexible triazoles draw attention to a new structural design in which small biologically friendly luminophore units are linked together by small flexible chains. This design enlarges the variety of the AIE luminogens to the flexible molecules, guiding further efforts in development of new AIE structures for appropriate applications, the biological ones being especially envisaged.

Keywords: aggregation induced emission, pyridine-N-oxide, triazole

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168 A Connected Structure of All-Optical Logic Gate “NOT-AND”

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

Procedia PDF Downloads 60
167 Electrochemical Synthesis and Morphostructural Study of the Cuprite Thin Film

Authors: M. El Hajji, A. Hallaoui, L. Bazzi, A. Benlhachemi, Lh. Bazzi, M. Hilali, O. Jbara, A. Tara, B. Bakiz

Abstract:

The cathodic electro deposition of the cuprite Cu2O by chrono potentiometry is performed on two types of electrodes "titanium and stainless steel", in a basic medium containing the precursor of copper. The plot produced vs SCE, shows the formation of a brown layer on the electrode surface. The chrono potentiometric recording made between - 0.2 and - 1 mA/cm2, has allowed us to have a deposit having different morphologies and structural orientation obtained as a function of the variation of many parameters. The morphology, the size of crystals, and the phase of the deposits produced were studied by conventional techniques of analysis of the solid, particularly the X-ray diffraction (XRD), scanning electron microscopy analysis (SEM) and quantitative chemical analysis (EDS). The results will be presented and discussed, they show that the majority of deposits are pure and uniform.

Keywords: cathodic electrodeposition, cuprite Cu2O, XRD, SEM, EDS analysis

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166 Protein Crystallization Induced by Surface Plasmon Resonance

Authors: Tetsuo Okutsu

Abstract:

We have developed a crystallization plate with the function of promoting protein crystallization. A gold thin film is deposited on the crystallization plate. A protein solution is dropped thereon, and crystallization is promoted when the protein is irradiated with light of a wavelength that protein does not absorb. Protein is densely adsorbed on the gold thin film surface. The light excites the surface plasmon resonance of the gold thin film, the protein is excited by the generated enhanced electric field induced by surface plasmon resonance, and the amino acid residues are radicalized to produce protein dimers. The dimers function as templates for protein crystals, crystallization is promoted.

Keywords: lysozyme, plasmon, protein, crystallization, RNaseA

Procedia PDF Downloads 183
165 Temperature Dependence of Photoluminescence Intensity of Europium Dinuclear Complex

Authors: Kwedi L. M. Nsah, Hisao Uchiki

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Quantum computation is a new and exciting field making use of quantum mechanical phenomena. In classical computers, information is represented as bits, with values either 0 or 1, but a quantum computer uses quantum bits in an arbitrary superposition of 0 and 1, enabling it to reach beyond the limits predicted by classical information theory. lanthanide ion quantum computer is an organic crystal, having a lanthanide ion. Europium is a favored lanthanide, since it exhibits nuclear spin coherence times, and Eu(III) is photo-stable and has two stable isotopes. In a europium organic crystal, the key factor is the mutual dipole-dipole interaction between two europium atoms. Crystals of the complex were formed by making a 2 :1 reaction of Eu(fod)3 and bpm. The transparent white crystals formed showed brilliant red luminescence with a 405 nm laser. The photoluminescence spectroscopy was observed both at room and cryogenic temperatures (300-14 K). The luminescence spectrum of [Eu(fod)3(μ-bpm) Eu(fod)3] showed characteristic of Eu(III) emission transitions in the range 570–630 nm, due to the deactivation of 5D0 emissive state to 7Fj. For the application of dinuclear Eu3+ complex to q-bit device, attention was focused on 5D0 -7F0 transition, around 580 nm. The presence of 5D0 -7F0 transition at room temperature revealed that at least one europium symmetry had no inversion center. Since the line was unsplit by the crystal field effect, any multiplicity observed was due to a multiplicity of Eu3+ sites. For q-bit element, more narrow line width of 5D0 → 7F0 PL band in Eu3+ ion was preferable. Cryogenic temperatures (300 K – 14 K) was applicable to reduce inhomogeneous broadening and distinguish between ions. A CCD image sensor was used for low temperature Photoluminescence measurement, and a far better resolved luminescent spectrum was gotten by cooling the complex at 14 K. A red shift by 15 cm-1 in the 5D0 - 7F0 peak position was observed upon cooling, the line shifted towards lower wavenumber. An emission spectrum at the 5D0 - 7F0 transition region was obtained to verify the line width. At this temperature, a peak with magnitude three times that at room temperature was observed. The temperature change of the 5D0 state of Eu(fod)3(μ-bpm)Eu(fod)3 showed a strong dependence in the vicinity of 60 K to 100 K. Thermal quenching was observed at higher temperatures than 100 K, at which point it began to decrease slowly with increasing temperature. The temperature quenching effect of Eu3+ with increase temperature was caused by energy migration. 100 K was the appropriate temperature for the observation of the 5D0 - 7F0 emission peak. Europium dinuclear complex bridged by bpm was successfully prepared and monitored at cryogenic temperatures. At 100 K the Eu3+-dope complex has a good thermal stability and this temperature is appropriate for the observation of the 5D0 - 7F0 emission peak. Sintering the sample above 600o C could also be a method to consider but the Eu3+ ion can be reduced to Eu2+, reasons why cryogenic temperature measurement is preferably over other methods.

Keywords: Eu(fod)₃, europium dinuclear complex, europium ion, quantum bit, quantum computer, 2, 2-bipyrimidine

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164 Ab Initio Study of Hexahalometallate Single Crystals K₂XBr₆ (X=Se, Pt)

Authors: M. Fatmi, B. Gueridi, Z. Zerrougui

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Some physical properties of hexahalometallate K₂XBr₆(X=Se, Pt) were computed in the zinc blend structure using generalized gradient approximation. The cell constant of K₂SeBr₆ and K₂PtBr₆ is consistent with the experiment value quoted in the literature, where the error is 0.95 % and 1 %. K₂SeBr₆ and K₂PtBr₆ present covalent bonding, high anisotropy and are ductile. The elastic constants of K₂SeBr₆ and K₂PtBr₆ are significantly smaller due to their larger reticular distances and lower Colombian forces, and then they are soft and damage tolerant. The interatomic separation is greater in K₂SeBr₆ than in K₂PtBr₆; hence the Colombian interaction in K₂PtBr₆ is greater than that of K2SeBr₆. The internal coordinate of the Br atom in K₂PtBr₆ is lower than that of the same atom in K2SeBr₆, and this can be explained by the fact that it is inversely proportional to the atom radius of Se and Pt. There are two major plasmonic processes, with intensities of 3.7 and 1.35, located around 53.5 nm and 72.8 nm for K₂SeBr₆ and K₂PtBr₆.

Keywords: hexahalometallate, band structure, morphology, absorption, band gap, absorber

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163 Experimental Investigation on Over-Cut in Ultrasonic Machining of WC-Co Composite

Authors: Ravinder Kataria, Jatinder Kumar, B. S. Pabla

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Ultrasonic machining is one of the most widely used non-traditional machining processes for machining of materials that are relatively brittle, hard, and fragile such as advanced ceramics, refractories, crystals, quartz etc. Present article has been targeted at investigating the impact of different experimental conditions (power rating, cobalt content, tool material, thickness of work piece, tool geometry, and abrasive grit size) on over cut in ultrasonic drilling of WC-Co composite material. Taguchi’s L-36 orthogonal array has been employed for conducting the experiments. Significant factors have been identified using analysis of variance (ANOVA) test. The experimental results revealed that abrasive grit size and tool material are most significant factors for over cut.

Keywords: ANOVA, abrasive grit size, Taguchi, WC-Co, ultrasonic machining

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162 Movement of Metallic Inclusions in the Volume of Synthetic Diamonds at High Pressure and High Temperature in the Temperature Gradient Field

Authors: P. I. Yachevskaya, S. A. Terentiev, M. S. Kuznetsov

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Several synthetic HPHT diamonds with metal inclusions have been studied. To have possibility of investigate the movement and transformation of the inclusions in the volume of the diamond the samples parallele-piped like shape has been made out of diamond crystals. The calculated value of temperature gradient in the samples of diamond which was placed in high-pressure cell was about 5-10 grad/mm. Duration of the experiments was in range 2-16 hours. All samples were treated several times. It has been found that the volume (dimensions) of inclusions, temperature, temperature gradient and the crystallographic orientation of the samples in the temperature field affects the movement speed of inclusions. Maximum speed of inclusions’ movement reached a value 150 µm/h.

Keywords: diamond, inclusions, temperature gradient, HPHT

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161 Conductive Clay Nanocomposite Using Smectite and Poly(O-Anisidine)

Authors: M. Şahi̇n, E. Erdem, M. Saçak

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In this study, Na-smectite crystals purificated of bentonite were used after being swelling with benzyltributylammonium bromide (BTBAB) as alkyl ammonium salt. Swelling process was carried out using 0.2 g of BTBAB for smectite of 0.8 g with 4 h of mixing time after investigated conditions such as mixing time, the swelling agent amount. Then, the conductive poly(o-anisidine) (POA)/smectite nanocomposite was prepared in the presence of swollen Na-smectite using ammonium persulfate (APS) as oxidant in aqueous acidic medium. The POA content and conductivity of the prepared nanocomposite were systematically investigated as a function of polymerization conditions such as the treatment time of swollen smectite in monomer solution and o-anisidine/APS mol ratio. POA/smectite nanocomposite was characterized by XRD, FTIR and SEM techniques and was compared separately with components of composite.

Keywords: clay, composite, conducting polymer, poly(o-anisidine)

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160 Designing a Refractive Index Gas Biosensor Exploiting Defects in Photonic Crystal Core-Shell Rods

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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159 Structural, Electronic and Optical Properties of LiₓNa1-ₓH for Hydrogen Storage

Authors: B. Bahloul

Abstract:

This study investigates the structural, electronic, and optical properties of LiH and NaH compounds, as well as their ternary mixed crystals LiₓNa1-ₓH, adopting a face-centered cubic structure with space group Fm-3m (number 225). The structural and electronic characteristics are examined using density functional theory (DFT), while empirical methods, specifically the modified Moss relation, are employed for analyzing optical properties. The exchange-correlation potential is determined through the generalized gradient approximation (PBEsol-GGA) within the density functional theory (DFT) framework, utilizing the projected augmented wave pseudopotentials (PAW) approach. The Quantum Espresso code is employed for conducting these calculations. The calculated lattice parameters at equilibrium volume and the bulk modulus for x=0 and x=1 exhibit good agreement with existing literature data. Additionally, the LiₓNa1-ₓH alloys are identified as having a direct band gap.

Keywords: DFT, structural, electronic, optical properties

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158 The Optimization of Copper Sulfate and Tincalconite Molar Ratios on the Hydrothermal Synthesis of Copper Borates

Authors: E. Moroydor Derun, N. Tugrul, F. T. Senberber, A. S. Kipcak, S. Piskin

Abstract:

In this research, copper borates are synthesized by the reaction of copper sulfate pentahydrate (CuSO4.5H2O) and tincalconite (Na2O4B7.10H2O). The experimental parameters are selected as 80°C reaction temperature and 60 of reaction time. The effect of mole ratio of CuSO4.5H2O to Na2O4B7.5H2O is studied. For the identification analyses X-Ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR) techniques are used. At the end of the experiments, synthesized copper borate is matched with the powder diffraction file of “00-001-0472” [Cu(BO2)2] and characteristic vibrations between B and O atoms are seen. The proper crystals are obtained at the mole ratio of 3:1. This study showed that simplified synthesis process is suitable for the production of copper borate minerals.

Keywords: hydrothermal synthesis, copper borates, copper sulfate, tincalconite

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157 Predicting Long-Term Performance of Concrete under Sulfate Attack

Authors: Elakneswaran Yogarajah, Toyoharu Nawa, Eiji Owaki

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Cement-based materials have been using in various reinforced concrete structural components as well as in nuclear waste repositories. The sulfate attack has been an environmental issue for cement-based materials exposed to sulfate bearing groundwater or soils, and it plays an important role in the durability of concrete structures. The reaction between penetrating sulfate ions and cement hydrates can result in swelling, spalling and cracking of cement matrix in concrete. These processes induce a reduction of mechanical properties and a decrease of service life of an affected structure. It has been identified that the precipitation of secondary sulfate bearing phases such as ettringite, gypsum, and thaumasite can cause the damage. Furthermore, crystallization of soluble salts such as sodium sulfate crystals induces degradation due to formation and phase changes. Crystallization of mirabilite (Na₂SO₄:10H₂O) and thenardite (Na₂SO₄) or their phase changes (mirabilite to thenardite or vice versa) due to temperature or sodium sulfate concentration do not involve any chemical interaction with cement hydrates. Over the past couple of decades, an intensive work has been carried out on sulfate attack in cement-based materials. However, there are several uncertainties still exist regarding the mechanism for the damage of concrete in sulfate environments. In this study, modelling work has been conducted to investigate the chemical degradation of cementitious materials in various sulfate environments. Both internal and external sulfate attack are considered for the simulation. In the internal sulfate attack, hydrate assemblage and pore solution chemistry of co-hydrating Portland cement (PC) and slag mixing with sodium sulfate solution are calculated to determine the degradation of the PC and slag-blended cementitious materials. Pitzer interactions coefficients were used to calculate the activity coefficients of solution chemistry at high ionic strength. The deterioration mechanism of co-hydrating cementitious materials with 25% of Na₂SO₄ by weight is the formation of mirabilite crystals and ettringite. Their formation strongly depends on sodium sulfate concentration and temperature. For the external sulfate attack, the deterioration of various types of cementitious materials under external sulfate ingress is simulated through reactive transport model. The reactive transport model is verified with experimental data in terms of phase assemblage of various cementitious materials with spatial distribution for different sulfate solution. Finally, the reactive transport model is used to predict the long-term performance of cementitious materials exposed to 10% of Na₂SO₄ for 1000 years. The dissolution of cement hydrates and secondary formation of sulfate-bearing products mainly ettringite are the dominant degradation mechanisms, but not the sodium sulfate crystallization.

Keywords: thermodynamic calculations, reactive transport, radioactive waste disposal, PHREEQC

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156 Research of the Activation Energy of Conductivity in P-I-N SiC Structures Fabricated by Doping with Aluminum Using the Low-Temperature Diffusion Method

Authors: Ilkham Gafurovich Atabaev, Khimmatali Nomozovich Juraev

Abstract:

The activation energy of conductivity in p-i-n SiC structures fabricated by doping with Aluminum using the new low-temperature diffusion method is investigated. In this method, diffusion is stimulated by the flux of carbon and silicon vacancies created by surface oxidation. The activation energy of conductivity in the p - layer is 0.25 eV and it is close to the ionization energy of Aluminum in 4H-SiC from 0.21 to 0.27 eV for the hexagonal and cubic positions of aluminum in the silicon sublattice for weakly doped crystals. The conductivity of the i-layer (measured in the reverse biased diode) shows 2 activation energies: 0.02 eV and 0.62 eV. Apparently, the 0.62 eV level is a deep trap level and it is a complex of Aluminum with a vacancy. According to the published data, an analogous level system (with activation energies of 0.05, 0.07, 0.09 and 0.67 eV) was observed in the ion Aluminum doped 4H-SiC samples.

Keywords: activation energy, aluminum, low temperature diffusion, SiC

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155 Torque Magnetometry of Low Anisotropic CaCo2As2 Single Crystals

Authors: Kashif Nadeem, W. Zhang, X. G. Qiu

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Role of Co spins in CaCo2As2 single crystal is systematically studied by using dc magnetization and magnetic torque measurements. A spin-flop transition in the antiferromagnetism (AFM) CaCo2As2 single crystal is studied by using dc magnetization and magnetic torque. Field dependent and angle dependent torque magnetometry confirmed the existence of spin-flop transition in this compound which is in agreement with the dc magnetization studies. A comparison of dc magnetization and torque magnetometry measurements for CaCo2As2 single crystal is done in detail. In conclusion, torque magnetometry can be a useful tool to study the spin flop transition in low anisotropic compounds analogous to dc magnetization studies.

Keywords: spin flop transition, torque magnetometry, magnetization, anisotropic

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154 Structure and Morphology of Electrodeposited Nickel Nanowires at an Electrode Distance of 20mm

Authors: Mahendran Samykano, Ram Mohan, Shyam Aravamudhan

Abstract:

The objective of this work is to study the effect of two key factors-external magnetic field and applied current density during the template-based electrodeposition of nickel nanowires using an electrode distance of 20 mm. Morphology, length, crystallite size, and crystallographic characterization of the grown nickel nanowires at an electrode distance of 20mm are presented. For this electrode distance of 20 mm, these two key electrodeposition factors when coupled was found to reduce crystallite size with a higher growth length and preferred orientation of Ni crystals. These observed changes can be inferred to be due to coupled interaction forces induced by the intensity of applied electric field (current density) and external magnetic field known as magnetohydrodynamic (MHD) effect during the electrodeposition process.

Keywords: anodic alumina oxide, electrodeposition, nanowires, nickel

Procedia PDF Downloads 246