Crystal water as the mol-ecular glue for obtaining different co-crystal ratios: the case of gallic acid tris-caffeine hexa-hydrate.

Science.gov (United States)

Vella-Zarb, L; Baisch, U

2018-04-01

The crystal structure of the hexa-hydrate co-crystal of gallic acid and caffeine, C 7 H 6 O 5 ·3C 8 H 10 N 4 O 2 ·6H 2 O or GAL3CAF·6H 2 O , is a remarkable example of the importance of hydrate water acting as structural glue to facilitate the crystallization of two components of different stoichiometries and thus to compensate an imbalance of hydrogen-bond donors and acceptors. The water mol-ecules provide the additional hydrogen bonds required to form a crystalline solid. Whereas the majority of hydrogen bonds forming the inter-molecular network between gallic acid and caffeine are formed by crystal water, only one direct classical hydrogen bond between two mol-ecules is formed between the carb-oxy-lic oxygen of gallic acid and the carbonyl oxygen of caffeine with d ( D ⋯ A ) = 2.672 (2) Å. All other hydrogen bonds either involve crystal water or utilize protonated carbon atoms as donors.

Toxicity of TiO2 nanoparticles to Escherichia coli: effects of particle size, crystal phase and water chemistry.

Directory of Open Access Journals (Sweden)

Xiuchun Lin

Full Text Available Controversial and inconsistent results on the eco-toxicity of TiO2 nanoparticles (NPs are commonly found in recorded studies and more experimental works are therefore warranted to elucidate the nanotoxicity and its underlying precise mechanisms. Toxicities of five types of TiO2 NPs with different particle sizes (10∼50 nm and crystal phases were investigated using Escherichia coli as a test organism. The effect of water chemistry on the nanotoxicity was also examined. The antibacterial effects of TiO2 NPs as revealed by dose-effect experiments decreased with increasing particle size and rutile content of the TiO2 NPs. More bacteria could survive at higher solution pH (5.0-10.0 and ionic strength (50-200 mg L(-1 NaCl as affected by the anatase TiO2 NPs. The TiO2 NPs with anatase crystal structure and smaller particle size produced higher content of intracellular reactive oxygen species and malondialdehyde, in line with their greater antibacterial effect. Transmission electron microscopic observations showed the concentration buildup of the anatase TiO2 NPs especially those with smaller particle sizes on the cell surfaces, leading to membrane damage and internalization. These research results will shed new light on the understanding of ecological effects of TiO2 NPs.

Toxicity of TiO2 Nanoparticles to Escherichia coli: Effects of Particle Size, Crystal Phase and Water Chemistry

Science.gov (United States)

Lin, Xiuchun; Li, Jingyi; Ma, Si; Liu, Gesheng; Yang, Kun; Tong, Meiping; Lin, Daohui

2014-01-01

Controversial and inconsistent results on the eco-toxicity of TiO2 nanoparticles (NPs) are commonly found in recorded studies and more experimental works are therefore warranted to elucidate the nanotoxicity and its underlying precise mechanisms. Toxicities of five types of TiO2 NPs with different particle sizes (10∼50 nm) and crystal phases were investigated using Escherichia coli as a test organism. The effect of water chemistry on the nanotoxicity was also examined. The antibacterial effects of TiO2 NPs as revealed by dose-effect experiments decreased with increasing particle size and rutile content of the TiO2 NPs. More bacteria could survive at higher solution pH (5.0–10.0) and ionic strength (50–200 mg L−1 NaCl) as affected by the anatase TiO2 NPs. The TiO2 NPs with anatase crystal structure and smaller particle size produced higher content of intracellular reactive oxygen species and malondialdehyde, in line with their greater antibacterial effect. Transmission electron microscopic observations showed the concentration buildup of the anatase TiO2 NPs especially those with smaller particle sizes on the cell surfaces, leading to membrane damage and internalization. These research results will shed new light on the understanding of ecological effects of TiO2 NPs. PMID:25310452

Water activated doping and transport in multilayered germanane crystals

International Nuclear Information System (INIS)

Young, Justin R; Johnston-Halperin, Ezekiel; Chitara, Basant; Cultrara, Nicholas D; Arguilla, Maxx Q; Jiang, Shishi; Fan, Fan; Goldberger, Joshua E

2016-01-01

The synthesis of germanane (GeH) has opened the door for covalently functionalizable 2D materials in electronics. Herein, we demonstrate that GeH can be electronically doped by incorporating stoichiometric equivalents of phosphorus dopant atoms into the CaGe 2 precursor. The electronic properties of these doped materials show significant atmospheric sensitivity, and we observe a reduction in resistance by up to three orders of magnitude when doped samples are measured in water-containing atmospheres. This variation in resistance is a result of water activation of the phosphorus dopants. Transport measurements in different contact geometries show a significant anisotropy between in-plane and out-of-plane resistances, with a much larger out-of-plane resistance. These measurements along with finite element modeling results predict that the current distribution in top-contacted crystals is restricted to only the topmost, water activated crystal layers. Taken together, these results pave the way for future electronic and optoelectronic applications utilizing group IV graphane analogues. (paper)

Effects of Polymeric Additives on the Crystallization and Release Behavior of Amorphous Ibuprofen

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Su Yang Lee

2013-01-01

Full Text Available Some polymeric additives were studied to understand their effects on the amorphous phase of ibuprofen (IBU, used as a poorly water soluble pharmaceutical model compound. The amorphous IBU in bulk, as well as in nanopores (diameter ~24 nm of anodic aluminum oxide, was examined with the addition of poly(acrylic acid, poly(N-vinyl pyrrolidone, or poly(4-vinylphenol. Results of bulk crystallization showed that they were effective in limiting the crystal growth, while the nucleation of the crystalline phase in contact with water was nearly instantaneous in all cases. Poly(N-vinyl pyrrolidone, the most effective additive, was in specific interaction with IBU, as revealed by IR spectroscopy. The addition of the polymers was combined with the nanoscopic confinement to further stabilize the amorphous phase. Still, the IBU with addition of polymeric additives showed sustained release behavior. The current study suggested that the inhibition of the crystal nucleation was probably the most important factor to stabilize the amorphous phase and fully harness its high solubility.

The Morse code effect: A crystal-crystal transformation observed in gel-grown lead (II) oxalate crystals

Science.gov (United States)

Lisgarten, J. N.; Marks, J. A.

2018-05-01

This paper reports on an unusual crystal-crystal transformation phenomenon, which we have called the Morse Code Effect, based on the change in appearance of lead(II) oxalate crystals grown in agarose gels.

Size effects in crystal plasticity

DEFF Research Database (Denmark)

Borg, Ulrik

2007-01-01

Numerical analyses of plasticity size effects have been carried out for different problems using a developed strain gradient crystal plasticiy theory. The theory employs higher order stresses as work conjugates to slip gradients and uses higher order boundary conditions. Problems on localization...... of plastic flow in a single crystal, grain boundary effects in a bicrystal, and grain size effects in a polycrystal are studied. Single crystals containing micro-scale voids have also been analyzed at different loading conditions with focus on the stress and deformation fields around the voids, on void...... growth and interaction between neighboring voids, and on a comparison between the developed strain gradient crystal plasticity theory and a discrete dislocation plasticity theory. Furthermore, voids and rigid inclusions in isotropic materials have been studied using a strain gradient plasticity theory...

Influence of fat crystals in the oil phase on stability of oil-in-water emulsions

NARCIS (Netherlands)

Boekel, van M.A.J.S.

1980-01-01

Coalescence at rest and during flow was studied in emulsions of paraffin oil in water with several surfactants and with crystals of solid paraffin or tristearate in the oil phase. Solid fat in the oil phase was estimated by pulsed nuclear magnetic resonance. Without crystals, oil-in-water emulsions

Understanding water equilibration fundamentals as a step for rational protein crystallization.

Directory of Open Access Journals (Sweden)

Pedro M Martins

Full Text Available BACKGROUND: Vapor diffusion is the most widely used technique for protein crystallization and the rate of water evaporation plays a key role on the quality of the crystals. Attempts have been made in the past to solve the mass transfer problem governing the evaporation process, either analytically or by employing numerical methods. Despite these efforts, the methods used for protein crystallization remain based on trial and error techniques rather than on fundamental principles. METHODOLOGY/PRINCIPAL FINDINGS: Here we present a new theoretical model which describes the hanging drop method as a function of the different variables that are known to influence the evaporation process. The model is extensively tested against experimental data published by other authors and considering different crystallizing conditions. Aspects responsible for the discrepancies between the existing theories and the measured evaporation kinetics are especially discussed; they include the characterization of vapor-liquid equilibrium, the role of mass transfer within the evaporating droplet, and the influence of the droplet-reservoir distance. CONCLUSIONS/SIGNIFICANCE: The validation tests show that the proposed model can be used to predict the water evaporation rates under a wide range of experimental conditions used in the hanging drop vapor-diffusion method, with no parameter fitting or computational requirements. This model combined with protein solubility data is expected to become a useful tool for a priori screening of crystallization conditions.

Crystallization of DNA fragments from water-salt solutions, containing 2-methylpentane-2,3-diol.

Science.gov (United States)

Osica, V D; Sukharevsky, B Y; Vasilchenko, V N; Verkin, B I; Polyvtsev, O F

1976-09-01

Fragments of calf thymus DNA have been crystallized by precipitation from water-salt solutions, containing 2-methylpentane-2,3-diol (MPD). DNA crystals usually take the form either of spherulites up to 100 mu in diameter or of needles with the length up to 50 mu. No irreversible denaturation of DNA occurs during the crystallization process. X-ray diffraction from dense slurries of DNA crystals yields crystalline powder patterns.

Plasmonic enhancement in BiVO4 photonic crystals for efficient water splitting.

Science.gov (United States)

Zhang, Liwu; Lin, Chia-Yu; Valev, Ventsislav K; Reisner, Erwin; Steiner, Ullrich; Baumberg, Jeremy J

2014-10-15

Photo-electrochemical water splitting is a very promising and environmentally friendly route for the conversion of solar energy into hydrogen. However, the solar-to-H2 conversion efficiency is still very low due to rapid bulk recombination of charge carriers. Here, a photonic nano-architecture is developed to improve charge carrier generation and separation by manipulating and confining light absorption in a visible-light-active photoanode constructed from BiVO4 photonic crystal and plasmonic nanostructures. Synergistic effects of photonic crystal stop bands and plasmonic absorption are observed to operate in this photonic nanostructure. Within the scaffold of an inverse opal photonic crystal, the surface plasmon resonance is significantly enhanced by the photonic Bragg resonance. Nanophotonic photoanodes show AM 1.5 photocurrent densities of 3.1 ± 0.1 mA cm(-2) at 1.23 V versus RHE, which is among the highest for oxide-based photoanodes and over 4 times higher than the unstructured planar photoanode. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Water polygons in high-resolution protein crystal structures.

Science.gov (United States)

Lee, Jonas; Kim, Sung-Hou

2009-07-01

We have analyzed the interstitial water (ISW) structures in 1500 protein crystal structures deposited in the Protein Data Bank that have greater than 1.5 A resolution with less than 90% sequence similarity with each other. We observed varieties of polygonal water structures composed of three to eight water molecules. These polygons may represent the time- and space-averaged structures of "stable" water oligomers present in liquid water, and their presence as well as relative population may be relevant in understanding physical properties of liquid water at a given temperature. On an average, 13% of ISWs are localized enough to be visible by X-ray diffraction. Of those, averages of 78% are water molecules in the first water layer on the protein surface. Of the localized ISWs beyond the first layer, almost half of them form water polygons such as trigons, tetragons, as well as expected pentagons, hexagons, higher polygons, partial dodecahedrons, and disordered networks. Most of the octagons and nanogons are formed by fusion of smaller polygons. The trigons are most commonly observed. We suggest that our observation provides an experimental basis for including these water polygon structures in correlating and predicting various water properties in liquid state.

Propagation of biochirality: crossovers and nonclassical crystallization kinetics of aspartic acid in water.

Science.gov (United States)

Lee, Tu; Lin, Yu Kun; Tsai, Ya Chung; Lee, Hung Lin

2013-11-01

All experimental procedures discussed could be treated as a screening tool for probing the existence of molecular association among the chiral molecules and the solvent system. The molecular association phases of a racemic conglomerate solution (CS) and a racemic compound solution (RCS), and the templating effect of aspartic acid solid surface were observed to minimize the chance of redissolving racemic conglomerate and racemic compound aspartic acid in water and reforming an RCS in crossovers experiments. Only 1 %wt% of l-aspartic acid was adequate enough to induce a transformation from a racemic compound aspartic acid to a racemic conglomerate aspartic acid. This would make the propagation of biochirality more feasible and sound. However, tetrapeptide, (l-aspartic acid)4 , failed to induce enantioseparation as templates purely by crystallization. Nonclassical crystallization theory was needed to take into account the existence of a CS. Fundamental parameters of the crystallization kinetics such as the induction time, interfacial energy, Gibbs energetic barrier, nucleation rate, and critical size of stable nuclei of: (i) racemic compound aspartic acid, (ii) racemic compound aspartic acid seeded with 1 %wt% l-aspartic acid, (iii) racemic conglomerate aspartic acid, and (iv) l-aspartic acid were evaluated and compared with different initial supersaturation ratios. Morphological studies of crystals grown from the crystallization kinetics were also carried out. © 2013 Wiley Periodicals, Inc.

Physics of radiation effects in crystals

CERN Document Server

Johnson, RA

1986-01-01

``Physics of Radiation Effects in Crystals'' is presented in two parts. The first part covers the general background and theory of radiation effects in crystals, including the theory describing the generation of crystal lattice defects by radiation, the kinetic approach to the study of the disposition of these defects and the effects of the diffusion of these defects on alloy compositions and phases. Specific problems of current interest are treated in the second part and include anisotropic dimensional changes in x-uranium, zirconium and graphite, acceleration of thermal creep in reactor ma

Photonic crystal based sensor for organic solvents and for solvent-water mixtures.

Science.gov (United States)

Fenzl, Christoph; Hirsch, Thomas; Wolfbeis, Otto S

2012-12-12

Monodisperse polystyrene nanoparticles with a diameter of 173 nm were incorporated into a polydimethylsiloxane matrix where they display an iridescent color that can be attributed to the photonic crystal effect. The film is of violet color if placed in plain water, but turns to red in the presence of the non-polar solvent n-hexane. Several solvents were studied in some detail. We show that such films are capable of monitoring the water content of ethanol/water mixtures, where only 1% (v/v) of water leads to a shift of the peak wavelength of reflected light by 5 nm. The method also can be applied to determine, both visually and instrumentally, the fraction of methanol in ethanol/methanol mixtures. Here, a fraction of 1% of methanol (v/v) results in a wavelength shift of 2 nm. The reflected wavelength is not influenced by temperature changes nor impeded by photobleaching. The signal changes are fully reversible and response times are <1 s.

Photonic Crystal Based Sensor for Organic Solvents and for Solvent-Water Mixtures

Directory of Open Access Journals (Sweden)

Otto S. Wolfbeis

2012-12-01

Full Text Available Monodisperse polystyrene nanoparticles with a diameter of 173 nm were incorporated into a polydimethylsiloxane matrix where they display an iridescent color that can be attributed to the photonic crystal effect. The film is of violet color if placed in plain water, but turns to red in the presence of the non-polar solvent n-hexane. Several solvents were studied in some detail. We show that such films are capable of monitoring the water content of ethanol/water mixtures, where only 1% (v/v of water leads to a shift of the peak wavelength of reflected light by 5 nm. The method also can be applied to determine, both visually and instrumentally, the fraction of methanol in ethanol/methanol mixtures. Here, a fraction of 1% of methanol (v/v results in a wavelength shift of 2 nm. The reflected wavelength is not influenced by temperature changes nor impeded by photobleaching. The signal changes are fully reversible and response times are <1 s.

Implication of Crystal Water Molecules in Inhibitor Binding at ALR2 Active Site

Directory of Open Access Journals (Sweden)

Hymavati

2012-01-01

Full Text Available Water molecules play a crucial role in mediating the interaction between a ligand and a macromolecule. The solvent environment around such biomolecule controls their structure and plays important role in protein-ligand interactions. An understanding of the nature and role of these water molecules in the active site of a protein could greatly increase the efficiency of rational drug design approaches. We have performed the comparative crystal structure analysis of aldose reductase to understand the role of crystal water in protein-ligand interaction. Molecular dynamics simulation has shown the versatile nature of water molecules in bridge H bonding during interaction. Occupancy and life time of water molecules depend on the type of cocrystallized ligand present in the structure. The information may be useful in rational approach to customize the ligand, and thereby longer occupancy and life time for bridge H-bonding.

Parity violation and parity conservation in unstirred crystallization: Effect of first crystals

Energy Technology Data Exchange (ETDEWEB)

Szurgot, M. [Center of Mathematics and Physics, Technical University of Lodz (Poland)

2012-02-15

Statistics of nucleation of chiral forms was studied to establish the effect of the number of first crystals and their handedness on distributions of enantiomers. Various bimodal, trimodal and unimodal distributions are obtained in unstirred crystallization, depending on the number of initial crystals and growth conditions. The binomial distribution satisfactorily describes experimental distributions of enantiomeric excess and may be used to predict distributions and probabilities of nucleation of enantiomers. The first nucleated crystals determine the handedness of secondary crystals, and number of initial crystals governs statistics of chiral nucleation. According to the binomial distribution if single crystals nucleate as the first, the bimodal distributions result with D and L peaks. If LD, LL, and DD pairs are nucleated as first, trimodal distributions with D, R, and L peaks are created, and if groups of crystals of various handedness nucleate as the first the unimodal distributions of enantiomeric excess with racemate R peaks are formed. Chiral nucleation experiments on sodium bromate were the basis for the theoretical considerations and verifications of predictions resulting from binomial distributions on probabilities of the creation of L and D crystals, and racemates, and the presence of D, L, and R peaks in the distributions. Growth conditions affect the number of the first crystals and effectiveness of cloning, and as a result, the distributions of enantiomers. Formation of pure enantiomers and/or racemates proves that the conservation of chiral symmetry, and the breakage of chiral symmetry can occur in unstirred crystallization. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Lattice Boltzmann Simulation of Water Isotope Fractionation During Growth of Ice Crystals in Clouds

Science.gov (United States)

Lu, G.; Depaolo, D.; Kang, Q.; Zhang, D.

2006-12-01

The isotopic composition of precipitation, especially that of snow, plays a special role in the global hydrological cycle and in reconstruction of past climates using polar ice cores. The fractionation of the major water isotope species (HHO, HDO, HHO-18) during ice crystal formation is critical to understanding the global distribution of isotopes in precipitation. Ice crystal growth in clouds is traditionally treated with a spherically- symmetric steady state diffusion model, with semi-empirical modifications added to account for ventilation and for complex crystal morphology. Although it is known that crystal growth rate, which depends largely on the degree of vapor over-saturation, determines crystal morphology, there are no existing quantitative models that directly relate morphology to the vapor saturation factor. Since kinetic (vapor phase diffusion-controlled) isotopic fractionation also depends on growth rate, there should be a direct relationship between vapor saturation, crystal morphology, and crystal isotopic composition. We use a 2D Lattice-Boltzmann model to simulate diffusion-controlled ice crystal growth from vapor- oversaturated air. In the model, crystals grow solely according to the diffusive fluxes just above the crystal surfaces, and hence crystal morphology arises from the initial and boundary conditions in the model and does not need to be specified a priori. The input parameters needed are the isotope-dependent vapor deposition rate constant (k) and the water vapor diffusivity in air (D). The values of both k and D can be computed from kinetic theory, and there are also experimentally determined values of D. The deduced values of k are uncertain to the extent that the sticking coefficient (or accommodation coefficient) for ice is uncertain. The ratio D/k is a length that determines the minimum scale of dendritic growth features and allows us to scale the numerical calculations to atmospheric conditions using a dimensionless Damkohler number

Design of a Eutectic Freeze Crystallization process for multicomponent waste water stream

DEFF Research Database (Denmark)

Lewis, Alison E.; Nathoo, J.; Thomsen, Kaj

2010-01-01

Complex, hypersaline brines originating from the mining and extractive metallurgical industries have the potential to be treated using Eutectic Freeze Crystallization (EFC). Although EFC has been shown to be effective in separating a single salt and water, it has yet to be applied to the complex...... hypersaline brines that are typical of reverse osmosis retentates in South Africa. This paper focuses on the application of EFC for the purification of a typical brine containing high levels of sodium, chlorine, sulphate and ammonia that cannot be achieved with other separation techniques. The presence...

Influence of smectite crystal chemistry on the organization of interlayer water and cations

International Nuclear Information System (INIS)

Dazas, Baptiste

2014-01-01

Swelling clay minerals such as smectites are ubiquitous at the Earth surface and possess major hydration ability and contaminant uptake/retention capacity. As a consequence smectites exert a pivotal influence on elemental transfers in surficial environments. These properties are especially relevant also when smectites are used as sealant in engineered or geological barriers for waste disposal facilities. As interlayer H_2O molecules account for more than 80% of smectite water in under-saturated conditions, characterization of H_2O organization and dynamics in smectites interlayers is essential to determining the geometrical and dynamical properties of clay barriers for waste disposal and to predicting the mobility of contaminant whose principal vector is water. Within this general framework, the present works describe, in a first time, the structuration of interlayer water/cations in saturated conditions. Then, in a second time, review the influence of structural parameters such as the amount and location of layer charge deficit and the chemical composition (and more especially the presence of structural fluorine/hydroxyl) on smectite hydration properties. A set of samples covering the whole compositional range of swelling phyllosilicates has thus been synthesized and characterized chemically and structurally. Special attention was paid to determining the amount (water vapor sorption isotherms) and the distribution (X-ray diffraction) of interlayer water. Molecular modeling allowed unraveling the origin of the contrasting behaviors observed experimentally and to determine the influence of the different crystal-chemical parameters on smectite hydration. This step is essential for the prediction of smectite reactivity in the environment from a limited number of crystal-chemical parameters. Molecular modeling allowed unraveling the origin of the contrasting behaviors observed experimentally and to determine the influence of the different crystal-chemical parameters on

Effect of Phytosterols on the Crystallization Behavior of Oil-in-Water Milk Fat Emulsions.

Science.gov (United States)

Zychowski, Lisa M; Logan, Amy; Augustin, Mary Ann; Kelly, Alan L; Zabara, Alexandru; O'Mahony, James A; Conn, Charlotte E; Auty, Mark A E

2016-08-31

Milk has been used commercially as a carrier for phytosterols, but there is limited knowledge on the effect of added plant sterols on the properties of the system. In this study, phytosterols dispersed in milk fat at a level of 0.3 or 0.6% were homogenized with an aqueous dispersion of whey protein isolate (WPI). The particle size, morphology, ζ-potential, and stability of the emulsions were investigated. Emulsion crystallization properties were examined through the use of differential scanning calorimetry (DSC) and Synchrotron X-ray scattering at both small and wide angles. Phytosterol enrichment influenced the particle size and physical appearance of the emulsion droplets, but did not affect the stability or charge of the dispersed particles. DSC data demonstrated that, at the higher level of phytosterol addition, crystallization of milk fat was delayed, whereas, at the lower level, phytosterol enrichment induced nucleation and emulsion crystallization. These differences were attributed to the formation of separate phytosterol crystals within the emulsions at the high phytosterol concentration, as characterized by Synchrotron X-ray measurements. X-ray scattering patterns demonstrated the ability of the phytosterol to integrate within the milk fat triacylglycerol matrix, with a concomitant increase in longitudinal packing and system disorder. Understanding the consequences of adding phytosterols, on the physical and crystalline behavior of emulsions may enable the functional food industry to design more physically and chemically stable products.

Effects of ultrasonic irradiation on crystallization and structural properties of EMT-type zeolite nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Ng, Eng-Poh, E-mail: epng@usm.my [School of Chemical Sciences, Universiti Sains Malaysia, USM, 11800 Penang (Malaysia); Awala, Hussein [Laboratoire Catalyse & Spectrochimie, CNRS-ENSICAEN, Université de Caen (France); Ghoy, Jia-Pei [School of Chemical Sciences, Universiti Sains Malaysia, USM, 11800 Penang (Malaysia); Vicente, Aurélie [Laboratoire Catalyse & Spectrochimie, CNRS-ENSICAEN, Université de Caen (France); Ling, Tau Chuan [Institute of Biological Sciences, Faculty of Science, University of Malaya (Malaysia); Ng, Yun Hau [School of Chemical Engineering, The University of New South Wales, Sydney (Australia); Mintova, Svetlana [Laboratoire Catalyse & Spectrochimie, CNRS-ENSICAEN, Université de Caen (France); Adam, Farook, E-mail: farook@usm.my [School of Chemical Sciences, Universiti Sains Malaysia, USM, 11800 Penang (Malaysia)

2015-06-01

Synthesis of EMT zeolite nanocrystals from rice husk ash biomass (RHA) under continuous ultrasonic irradiation is reported. The aging, nucleation and crystallization stages of EMT zeolite in the system were monitored at ambient temperature, and compared with the conventional hydrothermal method. It was found that ultrasonic wave induced rapid crystal growth of the nanosized EMT zeolite. Complete crystallization of EMT nanocrystals was achieved within 24 h which was much faster than conventional hydrothermal synthesis (36 h). Furthermore, XRD and TEM analyses revealed that more nuclei were formed during the nucleation stage, allowing the preparation of smaller zeolite nanocrystals with high crystallinity. The results also showed that sonocrystallization produced EMT zeolite with high yield (ca. 80%). The ultrasound-prepared EMT nanocrystals were also found to have high porosity and high hydrophilicity, making the material promising for water sorption applications including vapor sensing, heat pump and adsorption technologies. - Highlights: • Nanosized EMT zeolites are formed from rice husk ash under ultrasonic irradiation. • The effects of ultrasonic waves in nanosized EMT zeolite synthesis are studied. • Ultrasound induces rapid crystal growth and produces high zeolite yield. • Smaller zeolite nanocrystals with high crystallinity and large defect sites are obtained. • Improved surface hydrophilicity of crystals is beneficial for water sorption applications.

Preventing Crystal Agglomeration of Pharmaceutical Crystals Using Temperature Cycling and a Novel Membrane Crystallization Procedure for Seed Crystal Generation

Directory of Open Access Journals (Sweden)

Elena Simone

2018-01-01

Full Text Available In this work, a novel membrane crystallization system was used to crystallize micro-sized seeds of piroxicam monohydrate by reverse antisolvent addition. Membrane crystallization seeds were compared with seeds produced by conventional antisolvent addition and polymorphic transformation of a fine powdered sample of piroxicam form I in water. The membrane crystallization process allowed for a consistent production of pure monohydrate crystals with narrow size distribution and without significant agglomeration. The seeds were grown in 350 g of 20:80 w/w acetone-water mixture. Different seeding loads were tested and temperature cycling was applied in order to avoid agglomeration of the growing crystals during the process. Focused beam reflectance measurement (FBRM; and particle vision and measurement (PVM were used to monitor crystal growth; nucleation and agglomeration during the seeded experiments. Furthermore; Raman spectroscopy was used to monitor solute concentration and estimate the overall yield of the process. Membrane crystallization was proved to be the most convenient and consistent method to produce seeds of highly agglomerating compounds; which can be grown via cooling crystallization and temperature cycling.

Precipitation of ikaite crystals in Antarctic marine sediments: implications from pore water geochemistry

Science.gov (United States)

Lu, Z.; Kennedy, H.; Rickaby, R. E.; Georg, B.; Shaw, S.; Lennie, A.; Pancost, R. D.

2008-12-01

Ikaite is a calcium carbonate hexahydrate (CaCO3•6H20) considered to be stable only at low temperatures. It has been found in form of tufa tower at locations where alkaline water mixes with water masses enriched in calcium (e.g. Ikka Fjord, Mono Lake). Large euhedral single crystals of ikaite were also recovered in marine sediments, associated with organic matter degradation, anaerobic oxidation of methane (AOM) and sulfate reduction. The hydration water in the ikaite crystals were demonstrated to record the oxygen isotope composition of the water from which they precipitated. Such a characteristic may allow using ikaite to reconstruct the ice volume in the past. For this purpose, the controls on its precipitation in the sediment column need to be investigated which is the main goal of this study. U.S. Antarctica Program cruise NBP0703 collected two cores with ikaite crystals at Antarctica Peninsula (Bransfield Strait and Firth of Tay). We determined major cation/anion concentrations, dissolved inorganic carbon (DIC) and δ13C composition of DIC in the pore waters in these two cores. Strong organic matter degradation or AOM in both cores results in quick consumption of sulfate in shallow part of the cores (SMT at around 3m).Rapid build-up of DIC is accompanied by the sharp decrease of dissolved calcium in the top 5m. Large variations were observed in δ13CDIC values (-20‰ to +13‰). The δ13C of ikaite in two cores were distinctive from each other (-19‰ and +4‰) corresponding to the DIC pools at different depths. The down core saturation state of the ikaite was modeled in PHREEQC based on the pore water chemistry, and the results are consistent with carbon isotope data, suggesting that these large crystals very likely formed within a narrow depth interval and a short time period (given high sedimentation rates of 0.5-1 cm/yr in this area).

Fluorescent polystyrene photonic crystals self-assembled with water-soluble conjugated polyrotaxanes

Directory of Open Access Journals (Sweden)

Francesco Di Stasio

2013-10-01

Full Text Available We demonstrate control of the photoluminescence spectra and decay rates of water-soluble green-emitting conjugated polyrotaxanes by incorporating them in polystyrene opals with a stop-band spectrally tuned on the rotaxane emission (405–650 nm. We observe a suppression of the luminescence within the photonic stop-band and a corresponding enhancement of the high-energy edge (405–447 nm. Time-resolved measurements reveal a wavelength-dependent modification of the emission lifetime, which is shortened at the high-energy edge (by ∼11%, in the range 405–447 nm, but elongated within the stop-band (by ∼13%, in the range 448–482 nm. We assign both effects to the modification of the density of photonic states induced by the photonic crystal band structure. We propose the growth of fluorescent composite photonic crystals from blends of “solvent-compatible” non-covalently bonded nanosphere-polymer systems as a general method for achieving a uniform distribution of polymeric dopants in three-dimensional self-assembling photonic structures.

Lattice Boltzmann Simulation of Kinetic Isotope Effect During Snow Crystal Formation

Science.gov (United States)

Lu, G.; Depaolo, D. J.; Kang, Q.; Zhang, D.

2007-12-01

The isotopic composition of precipitation, especially that of snow, plays a special role in the global hydrological cycle and in reconstruction of past climates using polar ice cores. The fractionation of the major water isotope species (HHO, HDO, HHO-18) during ice crystal formation is critical to understanding the global distribution of isotopes in precipitation. Ice crystal growth in clouds is traditionally treated with a spherically-symmetric steady state diffusion model, with semi-empirical modifications added to account for ventilation and for complex crystal morphology. Although it is known that crystal growth rate, which depends largely on the degree of vapor over- saturation, determines crystal morphology, there are no quantitative models that relate morphology to the vapor saturation factor. Since kinetic (vapor phase diffusion-controlled) isotopic fractionation also depends on growth rate, there should be direct relationships between vapor saturation, crystal morphology, and crystal isotopic composition. We use a 2D lattice Boltzmann model to simulate diffusion-controlled ice crystal growth from vapor- oversaturated air. In the model, crystals grow solely according to the diffusive fluxes just above the crystal surfaces, and hence crystal morphology arises from the initial and boundary conditions in the model and does not need to be specified a priori. Crystal growth patterns can be varied between random growth and deterministic growth (along the maximum concentration gradient for example). The input parameters needed are the isotope- dependent vapor deposition rate constant (k) and the water vapor diffusivity in air (D). The values of both k and D can be computed from kinetic theory, and there are also experimentally determined values of D. The deduced values of k are uncertain to the extent that the condensation coefficient for ice is uncertain. The ratio D/k is a length (order 1 micron) that determines the minimum scale of dendritic growth features

Diffusion of water and ethanol in silicalite crystals synthesized in fluoride media

KAUST Repository

Zhang, Ke

2013-04-01

Diffusion of water and ethanol in silicalite has been studied in large crystals (70 μm × 30 μm × 15 μm) synthesized via a fluoride mediated route. The near-perfect hydrophobic silicalite (F-) crystals have very few internal silanol defects and, as a result, display water and ethanol transport behavior that is uncontaminated by these defects. The transport diffusivity (Dt) of ethanol is higher than that of water at the same sorbate activity. However, this difference is due to the difference in the shape of the isotherms. The thermodynamically corrected diffusivity (D o) of water is almost an order of magnitude higher than that of ethanol reflecting the difference in molecular size. Estimates of the permeability/permselectivity/separation factors for ethanol/water separation based on the present kinetic and equilibrium data for the fluoride synthesized crystals are compared with the values observed for traditional silicalite membranes. The present diffusivity values for fluoride synthesized silicalite are similar to the values for regular silicalite (OH-) derived from uptake rate measurements but much smaller (by more than four orders of magnitude) than the self-diffusivities derived from PFG-NMR measurements. This result is consistent with the results of other measurements of the diffusion of small molecules in silicalite which suggest that, in macroscopic measurements, the rate of intra-crystalline transport is controlled by the sub-structure (extensive twinning), rather than by diffusion in the ideal MFI micropores. In this situation microscale measurements such as PFG-NMR will lead to erroneously high estimates of transport rates and therefore of permeability and permselectivity. © 2012 Elsevier Inc. All rights reserved.

Diffusion of water and ethanol in silicalite crystals synthesized in fluoride media

KAUST Repository

Zhang, Ke; Lively, Ryan P.; Dose, Michelle E.; Li, Liwei; Koros, William J.; Ruthven, Douglas M.; McCool, Benjamin A.; Chance, Ronald R.

2013-01-01

Diffusion of water and ethanol in silicalite has been studied in large crystals (70 μm × 30 μm × 15 μm) synthesized via a fluoride mediated route. The near-perfect hydrophobic silicalite (F-) crystals have very few internal silanol defects and, as a result, display water and ethanol transport behavior that is uncontaminated by these defects. The transport diffusivity (Dt) of ethanol is higher than that of water at the same sorbate activity. However, this difference is due to the difference in the shape of the isotherms. The thermodynamically corrected diffusivity (D o) of water is almost an order of magnitude higher than that of ethanol reflecting the difference in molecular size. Estimates of the permeability/permselectivity/separation factors for ethanol/water separation based on the present kinetic and equilibrium data for the fluoride synthesized crystals are compared with the values observed for traditional silicalite membranes. The present diffusivity values for fluoride synthesized silicalite are similar to the values for regular silicalite (OH-) derived from uptake rate measurements but much smaller (by more than four orders of magnitude) than the self-diffusivities derived from PFG-NMR measurements. This result is consistent with the results of other measurements of the diffusion of small molecules in silicalite which suggest that, in macroscopic measurements, the rate of intra-crystalline transport is controlled by the sub-structure (extensive twinning), rather than by diffusion in the ideal MFI micropores. In this situation microscale measurements such as PFG-NMR will lead to erroneously high estimates of transport rates and therefore of permeability and permselectivity. © 2012 Elsevier Inc. All rights reserved.

The effective crystal field potential

CERN Document Server

Mulak, J

2000-01-01

As it results from the very nature of things, the spherical symmetry of the surrounding of a site in a crystal lattice or an atom in a molecule can never occur. Therefore, the eigenfunctions and eigenvalues of any bound ion or atom have to differ from those of spherically symmetric respective free ions. In this way, the most simplified concept of the crystal field effect or ligand field effect in the case of individual molecules can be introduced. The conventional notion of the crystal field potential is narrowed to its non-spherical part only through ignoring the dominating spherical part which produces only a uniform energy shift of gravity centres of the free ion terms. It is well understood that the non-spherical part of the effective potential "seen" by open-shell electrons localized on a metal ion plays an essential role in most observed properties. Light adsorption, electron paramagnetic resonance, inelastic neutron scattering and basic characteristics derived from magnetic and thermal measurements, ar...

Effect of a Nitrogen Impurity on the Fundamental Raman Band of Diamond Single Crystals

Science.gov (United States)

Gusakov, G. A.; Samtsov, M. P.; Voropay, E. S.

2018-05-01

The effect of nitrogen defects in natural and synthetic diamond single crystals on the position and half-width of the fundamental Raman band was investigated. Samples containing the main types of nitrogen lattice defects at impurity contents of 1-1500 ppm were studied. The parameters of the Stokes and anti-Stokes components in Raman spectra of crystals situated in a cell with distilled water to minimize the influence of heating by the exciting laser radiation were analyzed to determine the effect of a nitrogen impurity in the diamond crystal lattice. It was shown that an increase of impurity atoms in the crystals in the studied concentration range resulted in broadening of the Raman band from 1.61 to 2.85 cm-1 and shifting of the maximum to lower frequency from 1332.65 to 1332.3 cm-1. The observed effect was directly proportional to the impurity concentration and depended on the form of the impurity incorporated into the diamond lattice. It was found that the changes in the position and half-width of the fundamental Raman band for diamond were consistent with the magnitude of crystal lattice distortions due to the presence of impurity defects and obeyed the Gruneisen law.

Laser Induced Damage of Potassium Dihydrogen Phosphate (KDP Optical Crystal Machined by Water Dissolution Ultra-Precision Polishing Method

Directory of Open Access Journals (Sweden)

Yuchuan Chen

2018-03-01

Full Text Available Laser induced damage threshold (LIDT is an important optical indicator for nonlinear Potassium Dihydrogen Phosphate (KDP crystal used in high power laser systems. In this study, KDP optical crystals are initially machined with single point diamond turning (SPDT, followed by water dissolution ultra-precision polishing (WDUP and then tested with 355 nm nanosecond pulsed-lasers. Power spectral density (PSD analysis shows that WDUP process eliminates the laser-detrimental spatial frequencies band of micro-waviness on SPDT machined surface and consequently decreases its modulation effect on the laser beams. The laser test results show that LIDT of WDUP machined crystal improves and its stability has a significant increase by 72.1% compared with that of SPDT. Moreover, a subsequent ultrasonic assisted solvent cleaning process is suggested to have a positive effect on the laser performance of machined KDP crystal. Damage crater investigation indicates that the damage morphologies exhibit highly thermal explosion features of melted cores and brittle fractures of periphery material, which can be described with the classic thermal explosion model. The comparison result demonstrates that damage mechanisms for SPDT and WDUP machined crystal are the same and WDUP process reveals the real bulk laser resistance of KDP optical crystal by removing the micro-waviness and subsurface damage on SPDT machined surface. This improvement of WDUP method makes the LIDT more accurate and will be beneficial to the laser performance of KDP crystal.

Inhibition of crystal nucleation and growth by water-soluble polymers and its impact on the supersaturation profiles of amorphous drugs.

Science.gov (United States)

Ozaki, Shunsuke; Kushida, Ikuo; Yamashita, Taro; Hasebe, Takashi; Shirai, Osamu; Kano, Kenji

2013-07-01

The impact of water-soluble polymers on drug supersaturation behavior was investigated to elucidate the role of water-soluble polymers in enhancing the supersaturation levels of amorphous pharmaceuticals. Hydroxypropyl methylcellulose (HPMC), polyvinylpyrrolidone (PVP), and Eudragit L-100 (Eudragit) were used as representative polymers, and griseofulvin and danazol were used as model drugs. Supersaturation profiles of amorphous drugs were measured in biorelevant dissolution tests. Crystal growth rate was measured from the decrease in dissolved drug concentration in the presence of seed crystals. Nucleation kinetics was evaluated by measuring the induction time for nucleation. All experiments were performed in the presence and absence of polymers. The degree of supersaturation of the amorphous model drugs increased with an increase in the inhibitory efficiency of polymers against crystal nucleation and growth (HPMC > PVP > Eudragit). In the presence of HPMC, the addition of seed crystals diminished the supersaturation ratio dramatically for griseofulvin and moderately for danazol. The results demonstrated that the polymers contributed to drug supersaturation by inhibiting both nucleation and growth. The effect of the polymers was drug dependent. The detailed characterization of polymers would allow selection of appropriate crystallization inhibitors and a planned quality control strategy for the development of supersaturable formulations. Copyright © 2013 Wiley Periodicals, Inc.

Solvent effects on the crystal growth structure and morphology of the pharmaceutical dirithromycin

Science.gov (United States)

Wang, Yuan; Liang, Zuozhong

2017-12-01

Solvent effects on the crystal structure and morphology of pharmaceutical dirithromycin molecules were systematically investigated using both experimental crystallization and theoretical simulation. Dirithromycin is one of the new generation of macrolide antibiotics with two polymorphic forms (Form I and Form II) and many solvate forms. Herein, six solvates of the dirithromycin, including acetonitrile, acetonitrile/water, acetone, 1-propanol, N,N-dimethylformamide (DMF) and cyclohexane, were studied. Experimentally, we crystallized the dirithromycin molecules in different solvents by the solvent evaporating method and measured the crystal structures with the X-ray diffraction (XRD). We compared these crystal structures of dirithromycin solvates and analyzed the solvent property-determined structure evolution. The solvents have a strong interaction with the dirithromycin molecule due to the formation of inter-molecular interactions (such as the hydrogen bonding and close contacts (sum of vdW radii)). Theoretically, we calculated the ideal crystal habit based on the solvated structures with the attachment growth (AE) model. The predicted morphologies and aspect ratios of dirithromycin solvates agree well with the experimental results. This work could be helpful to better understand the structure and morphology evolution of solvates controlled by solvents and guide the crystallization of active pharmaceutical ingredients in the pharmaceutical industry.

Electrically tunable spatially variable switching in ferroelectric liquid crystal/water system

Science.gov (United States)

Choudhary, A.; Coondoo, I.; Prakash, J.; Sreenivas, K.; Biradar, A. M.

2009-04-01

An unusual switching phenomenon in the region outside conducting patterned area in ferroelectric liquid crystal (FLC) containing about 1-2 wt % of water has been observed. The presence of water in the studied heterogeneous system was confirmed by Fourier transform infrared spectroscopy. The observed optical studies have been emphasized on the "spatially variable switching" phenomenon of the molecules in the nonconducting region of the cell. The observed phenomenon is due to diffusion of water between the smectic layers of the FLC and the interaction of the curved electric field lines with the FLC molecules in the nonconducting region.

In-Line Measurement of Water Content in Ethanol Using a PVA-Coated Quartz Crystal Microbalance

Directory of Open Access Journals (Sweden)

Byoung Chul Kim

2014-01-01

Full Text Available An in-line device for measuring the water content in ethanol was developed using a polyvinyl alcohol (PVA-coated quartz crystal microbalance. Bio-ethanol is widely used as the replacement of gasoline, and its water content is a key component of its specifications. When the PVA-coated quartz crystal microbalance is contacted with ethanol containing a small amount of water, the water is absorbed into the PVA increasing the load on the microbalance surface to cause a frequency drop. The determination performance of the PVA-coated microbalance is examined by measuring the frequency decreases in ethanol containing 2% to 10% water while the ethanol flows through the measurement device. The measurements indicates that the higher water content is the more the frequency reduction is, though some deviation in the measurements is observed. This indicates that the frequency measurement of an unknown concentration of water in ethanol can be used to determine the water content in ethanol. The PVA coating is examined by microscopy and FTIR (Fourier transform infrared spectroscopy.

Photonic crystal fibres and effective index approaches

DEFF Research Database (Denmark)

Riishede, Jesper; Libori, Stig E. Barkou; Bjarklev, Anders Overgaard

2001-01-01

Photonic crystal fibres are investigated with an effective index approach. The effective index of both core and cladding is found to be wavelength dependent. Accurate modelling must respect the rich topology of these fibres.......Photonic crystal fibres are investigated with an effective index approach. The effective index of both core and cladding is found to be wavelength dependent. Accurate modelling must respect the rich topology of these fibres....

Behavior of water of crystallization in CuSO4·5H2O studied by the tritium tracer method

International Nuclear Information System (INIS)

Sato, Tetsuya; Jiao, Yurong; Imaizumi, Hiroshi; Kano, Naoki

2011-01-01

Tritium (T) is one of hydrogen isotopes, and its chemical behavior is similar to other hydrogen isotopes. Therefore tritium is used as one of tracers in chemical experimental tracer. As one of applications, we tried to apply this method to clarifying the behavior of water of crystallization in an inorganic material. The sample used was copper sulfate pentahydrate. First, this compound was tritiated, then desorbed the water of crystallization from the tritiated compound. Comparing the behavior of amount of substance with the specific activity, the following four matters have been found. (1) There is no relation between each T concentration of HTO water and the mass of the compound within the T concentration used. (2) It can be confirmed that copper sulfate pentahydrate has three kinds of energetically different water of crystallization by T tracer method. (3) Each T concentration of water of crystallization is different at the coordinate position, and the HTO molecule is hard to coordinate at the position having weak binding force. (4) The T tracer method is useful to analyze the behavior of the combined water in materials. (author)

Effects of Purification on the Crystallization of Lysozyme

Science.gov (United States)

Ewing, Felecia L.; Forsythe, Elizabeth L.; Van Der Woerd, Mark; Pusey, Marc L.

1996-01-01

We have additionally purified a commercial lysozyme preparation by cation exchange chromatography, followed by recrystallization. This material is 99.96% pure with respect to macromolecular impurities. At basic pH, the purified lysozyme gave only tetragonal crystals at 20 C. Protein used directly from the bottle, prepared by dialysis against distilled water, or which did not bind to the cation exchange column had considerably altered crystallization behavior. Lysozyme which did not bind to the cation exchange column was subsequently purified by size exclusion chromatography. This material gave predominately bundles of rod-shaped crystals with some small tetragonal crystals at lower pHs. The origin of the bundled rod habit was postulated to be a thermally dependent tetragonal- orthorhombic change in the protein structure. This was subsequently ruled out on the basis of crystallization behavior and growth rate experiments. This suggests that heterogeneous forms of lysozyme may be responsible. These results demonstrate three classes of impurities: (1) small molecules, which may be removed by dialysis; (2) macromolecules, which are removable by chromatographic techniques; and (3) heterogeneous forms of the protein, which can be removed in this case by cation exchange chromatography. Of these, heterogeneous forms of the lysozyme apparently have the greatest affect on its crystallization behavior.

Synthesis of SAPO-56 with controlled crystal size

Energy Technology Data Exchange (ETDEWEB)

Wu, Ting; Feng, Xuhui [Colorado School of Mines, Chemical and Biological Engineering Department (United States); Carreon, Maria L. [University of Tulsa, Rusell School of Chemical Engineering (United States); Carreon, Moises A., E-mail: mcarreon@mines.edu [Colorado School of Mines, Chemical and Biological Engineering Department (United States)

2017-03-15

Herein, we present the hydrothermal synthesis of SAPO-56 crystals with relatively controlled crystal/particle size. The effects of water content, aluminum source, gel composition, stirring, crystallization temperature and time, as well as the incorporation of crystal growth inhibitors during synthesis were systematically investigated. The synthesized SAPO-56 crystals displayed BET surface areas as high as ∼630 m{sup 2} g{sup −1} with relative narrow size distribution in the ∼5–60 μm range. Nitrogen BET surface areas in the 451 to 631 m{sup 2} g{sup −1} range were observed. Decreasing the crystallization temperature from 220 to 210 °C helped to decrease the average SAPO-56 crystal size. Diluted gel compositions promoted the formation of smaller crystals. Crystal growth inhibitors were found to be helpful in reducing crystal size and narrow the size distribution. Specifically, ∼5 μm SAPO-56 crystals displaying narrow size distribution were synthesized employing aluminum-tri-sec-butoxide as Al source, high water content, and high stirring rates.

Synthesis of SAPO-56 with controlled crystal size

International Nuclear Information System (INIS)

Wu, Ting; Feng, Xuhui; Carreon, Maria L.; Carreon, Moises A.

2017-01-01

Herein, we present the hydrothermal synthesis of SAPO-56 crystals with relatively controlled crystal/particle size. The effects of water content, aluminum source, gel composition, stirring, crystallization temperature and time, as well as the incorporation of crystal growth inhibitors during synthesis were systematically investigated. The synthesized SAPO-56 crystals displayed BET surface areas as high as ∼630 m"2 g"−"1 with relative narrow size distribution in the ∼5–60 μm range. Nitrogen BET surface areas in the 451 to 631 m"2 g"−"1 range were observed. Decreasing the crystallization temperature from 220 to 210 °C helped to decrease the average SAPO-56 crystal size. Diluted gel compositions promoted the formation of smaller crystals. Crystal growth inhibitors were found to be helpful in reducing crystal size and narrow the size distribution. Specifically, ∼5 μm SAPO-56 crystals displaying narrow size distribution were synthesized employing aluminum-tri-sec-butoxide as Al source, high water content, and high stirring rates.

Organic field-effect transistors using single crystals

International Nuclear Information System (INIS)

Hasegawa, Tatsuo; Takeya, Jun

2009-01-01

Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm 2 Vs -1 , achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps. (topical review)

Indium-tin oxide surface treatments: Effects on the performance of liquid crystal devices

International Nuclear Information System (INIS)

Abderrahmen, A.; Romdhane, F.F.; Ben Ouada, H.; Gharbi, A.

2006-01-01

In this work, we investigate the effect of indium tin oxide (ITO) substrate cleaning on the surface properties. Wettability technique was used to measure the contact angle and the surface energy of the different treated ITO substrates. It is found that treatment with the methanol without dehydration gives the lowest water contact angle (most hydrophilic surface) and the highest surface energy compared to other solvents. This result was confirmed by impedance measurements performed on nematic liquid crystal cells with ITO electrodes. Indeed, we check the decrease of ionic entities in the interface ITO/liquid crystal. The polarity and dielectric parameters of the used solvents explain the obtained results

Indium-tin oxide surface treatments: Effects on the performance of liquid crystal devices

Energy Technology Data Exchange (ETDEWEB)

Abderrahmen, A. [Laboratoire de physique et chimie des interfaces, Faculte des sciences, 5000, Monastir (Tunisia)]. E-mail: asma_abderrahmen@yahoo.fr; Romdhane, F.F. [Laboratoire de la matiere molle, Faculte des sciences, Tunis (Tunisia); Ben Ouada, H. [Laboratoire de physique et chimie des interfaces, Faculte des sciences, 5000, Monastir (Tunisia); Gharbi, A. [Laboratoire de la matiere molle, Faculte des sciences, Tunis (Tunisia)

2006-03-15

In this work, we investigate the effect of indium tin oxide (ITO) substrate cleaning on the surface properties. Wettability technique was used to measure the contact angle and the surface energy of the different treated ITO substrates. It is found that treatment with the methanol without dehydration gives the lowest water contact angle (most hydrophilic surface) and the highest surface energy compared to other solvents. This result was confirmed by impedance measurements performed on nematic liquid crystal cells with ITO electrodes. Indeed, we check the decrease of ionic entities in the interface ITO/liquid crystal. The polarity and dielectric parameters of the used solvents explain the obtained results.

Development of Nanostructured Water Treatment Membranes Based on Thermotropic Liquid Crystals: Molecular Design of Sub-Nanoporous Materials.

Science.gov (United States)

Sakamoto, Takeshi; Ogawa, Takafumi; Nada, Hiroki; Nakatsuji, Koji; Mitani, Masato; Soberats, Bartolome; Kawata, Ken; Yoshio, Masafumi; Tomioka, Hiroki; Sasaki, Takao; Kimura, Masahiro; Henmi, Masahiro; Kato, Takashi

2018-01-01

Supply of safe fresh water is currently one of the most important global issues. Membranes technologies are essential to treat water efficiently with low costs and energy consumption. Here, the development of self-organized nanostructured water treatment membranes based on ionic liquid crystals composed of ammonium, imidazolium, and pyridinium moieties is reported. Membranes with preserved 1D or 3D self-organized sub-nanopores are obtained by photopolymerization of ionic columnar or bicontinuous cubic liquid crystals. These membranes show salt rejection ability, ion selectivity, and excellent water permeability. The relationships between the structures and the transport properties of water molecules and ionic solutes in the sub-nanopores in the membranes are examined by molecular dynamics simulations. The results suggest that the volume of vacant space in the nanochannel greatly affects the water and ion permeability.

In-vitro study on calcium carbonate crystal growth mediated by organic matrix extracted from fresh water pearls

International Nuclear Information System (INIS)

Ma Yufei; Qiao Li; Feng Qingling

2012-01-01

For the purpose of studying the mediation of organic matrix on the crystallization of calcium carbonate, water soluble matrix (WSM), acid soluble matrix (ASM) and acid insoluble matrix (AIM) were extracted from aragonite pearls and vaterite pearls respectively. Then, in-vitro calcium carbonate crystallization experiments under the control of these six organic matrices were carried out in the present study. Scanning electron microscopy (SEM) was utilized to observe the morphology of CaCO 3 and Raman spectroscopy as a powerful technique was used to distinguish the crystal polymorph. Influences of the six kinds of organic matrices on the calcium carbonate crystal growth are proposed. ASM of vaterite pearls can induce vaterite to crystallize and WSM of aragonite pearls mediates to produce aragonite crystals. The single AIM membranes of the two pearls have no pronounced effect on the CaCO 3 crystallization. Additionally, the crystal size obtained with the additive of WSM of the two kinds of pearls is smaller than that with the additive of ASM. Moreover, self-assembly phenomenon in the biomineralization process and the distorted morphology calcite are observed. Current results demonstrate important aspects of matrix protein-controlled crystallization, which is beneficial to the understanding of nacre biomineralization mechanism. Further study of the precise control of these matrix proteins on CaCO 3 crystal growth is being processed. - Highlights: ► WSM, ASM and AIM are extracted from aragonite pearls and vaterite pearls. ► ASM of vaterite pearl induces vaterite. ► WSM of aragonite pearl mediates to produce aragonite. ► WSM can fine control crystal size smaller than that with the additive of ASM. ► Self-assembly and the distorted calcite existed in the mineralization process.

The effect of water on the stability of C60 fullerene nanowhiskers

International Nuclear Information System (INIS)

Miyazawa, Kun’ichi; Hotta, Kayoko

2011-01-01

The morphology of C 60 precipitates synthesized by using isopropyl alcohol (IPA) added with water was investigated in order to know the effect of water on the growth of C 60 nanowhiskers (C 60 NWs) in C 60 –toluene–IPA solution systems. The stability of C 60 NWs decreased and granular crystals of C 60 were formed in the solutions when IPA added with an excess amount of water was used in the liquid–liquid interfacial precipitation method. The C 60 NWs were found to be destabilized with time in the solutions added with water. The C 60 NWs dried in air showed similar Raman profiles irrespective of the use of IPA with and without water addition. The Raman profiles of granular C 60 single crystals showed the base lines much flatter than those of C 60 NWs, indicating that C 60 NWs possess a disordered crystal structure. By optimizing the growth condition, short C 60 NWs with aspect ratios ranging from 3 to 10 and an average length of about 1.8 μm were successfully fabricated. The short C 60 NWs are expected to be applicable for electrodes of organic thick film solar cells.

Hydrothermal decomposition of liquid crystal in subcritical water

International Nuclear Information System (INIS)

Zhuang, Xuning; He, Wenzhi; Li, Guangming; Huang, Juwen; Lu, Shangming; Hou, Lianjiao

2014-01-01

Highlights: • Hydrothermal technology can effectively decompose the liquid crystal of 4-octoxy-4'-cyanobiphenyl. • The decomposition rate reached 97.6% under the optimized condition. • Octoxy-4'-cyanobiphenyl was mainly decomposed into simple and innocuous products. • The mechanism analysis reveals the decomposition reaction process. - Abstract: Treatment of liquid crystal has important significance for the environment protection and human health. This study proposed a hydrothermal process to decompose the liquid crystal of 4-octoxy-4′-cyanobiphenyl. Experiments were conducted with a 5.7 mL stainless tube reactor and heated by a salt-bath. Factors affecting the decomposition rate of 4-octoxy-4′-cyanobiphenyl were evaluated with HPLC. The decomposed liquid products were characterized by GC-MS. Under optimized conditions i.e., 0.2 mL H 2 O 2 supply, pH value 6, temperature 275 °C and reaction time 5 min, 97.6% of 4-octoxy-4′-cyanobiphenyl was decomposed into simple and environment-friendly products. Based on the mechanism analysis and products characterization, a possible hydrothermal decomposition pathway was proposed. The results indicate that hydrothermal technology is a promising choice for liquid crystal treatment

Solvothermal crystallization of nanocrystals of metal oxides

International Nuclear Information System (INIS)

Furukawa, S; Amino, H; Iwamoto, S; Inoue, M

2008-01-01

Solvothermal crystallization of the hydroxide gels obtained by hydrolysis of alkoxides (Zr, Ta, Nb, ln, Sn, Ti and Al) was examined. Nanocrystals having high surface areas (S BET > 170 m 2 g -1 ) were obtained except for the product derived from indium isopropoxide. The effect of water in organic solvent upon the crystallinity of the product was investigated. The increase in the activity of water by using high concentration of alkoxide or intentional addition of water to the solvothermal medium led to crystal growth of the products. In contrast, decrease in activity of water by adding ethylene glycol before solvothermal treatment caused a decrease in crystallinity of the product

Solvothermal crystallization of nanocrystals of metal oxides

Science.gov (United States)

Furukawa, S.; Amino, H.; Iwamoto, S.; Inoue, M.

2008-07-01

Solvothermal crystallization of the hydroxide gels obtained by hydrolysis of alkoxides (Zr, Ta, Nb, ln, Sn, Ti and Al) was examined. Nanocrystals having high surface areas (SBET > 170 m2 g-1) were obtained except for the product derived from indium isopropoxide. The effect of water in organic solvent upon the crystallinity of the product was investigated. The increase in the activity of water by using high concentration of alkoxide or intentional addition of water to the solvothermal medium led to crystal growth of the products. In contrast, decrease in activity of water by adding ethylene glycol before solvothermal treatment caused a decrease in crystallinity of the product.

Organic field-effect transistors using single crystals

Directory of Open Access Journals (Sweden)

Tatsuo Hasegawa and Jun Takeya

2009-01-01

Full Text Available Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs, the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20–40 cm2 Vs−1, achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

Determining ice water content from 2D crystal images in convective cloud systems

Science.gov (United States)

Leroy, Delphine; Coutris, Pierre; Fontaine, Emmanuel; Schwarzenboeck, Alfons; Strapp, J. Walter

2016-04-01

Cloud microphysical in-situ instrumentation measures bulk parameters like total water content (TWC) and/or derives particle size distributions (PSD) (utilizing optical spectrometers and optical array probes (OAP)). The goal of this work is to introduce a comprehensive methodology to compute TWC from OAP measurements, based on the dataset collected during recent HAIC (High Altitude Ice Crystals)/HIWC (High Ice Water Content) field campaigns. Indeed, the HAIC/HIWC field campaigns in Darwin (2014) and Cayenne (2015) provide a unique opportunity to explore the complex relationship between cloud particle mass and size in ice crystal environments. Numerous mesoscale convective systems (MCSs) were sampled with the French Falcon 20 research aircraft at different temperature levels from -10°C up to 50°C. The aircraft instrumentation included an IKP-2 (isokinetic probe) to get reliable measurements of TWC and the optical array probes 2D-S and PIP recording images over the entire ice crystal size range. Based on the known principle relating crystal mass and size with a power law (m=α•Dβ), Fontaine et al. (2014) performed extended 3D crystal simulations and thereby demonstrated that it is possible to estimate the value of the exponent β from OAP data, by analyzing the surface-size relationship for the 2D images as a function of time. Leroy et al. (2015) proposed an extended version of this method that produces estimates of β from the analysis of both the surface-size and perimeter-size relationships. Knowing the value of β, α then is deduced from the simultaneous IKP-2 TWC measurements for the entire HAIC/HIWC dataset. The statistical analysis of α and β values for the HAIC/HIWC dataset firstly shows that α is closely linked to β and that this link changes with temperature. From these trends, a generalized parameterization for α is proposed. Finally, the comparison with the initial IKP-2 measurements demonstrates that the method is able to predict TWC values

CRYSTAL simulation code and modeling of coherent effects in a bent crystal at the LHC

Energy Technology Data Exchange (ETDEWEB)

Sytov, A.I., E-mail: alex_sytov@mail.ru [Research Institute for Nuclear Problems, Belarusian State University, Bobruiskaya str., 11, 220030 Minsk (Belarus); INFN Sezione di Ferrara, Dipartimento di Fisica e Scienze della Terra, Università di Ferrara, Via Saragat 1, 44100 Ferrara (Italy); Tikhomirov, V.V., E-mail: vvtikh@mail.ru [Research Institute for Nuclear Problems, Belarusian State University, Bobruiskaya str., 11, 220030 Minsk (Belarus)

2015-07-15

A CRYSTAL simulation code for particle tracking in crystals is introduced. Its essence consists in both adequate and fast sampling of proton trajectories in crystals which is crucial for both correct description of experiments and quantitative prediction of new effects. The H8 single-pass experiment at the CERN SPS as well as 7 TeV proton deflection by a bent crystal at the LHC are simulated. We predict the existence of dechanneling peaks corresponding to the planar channeling oscillations as well as describe the possibility of their observation at high energies, specifically at the LHC energy. An effect of excess over the amorphous level of ionization losses in the channeling mode was also found at 7 TeV.

Effect of medicinal plants on the crystallization of cholesterol

Science.gov (United States)

Saraswathi, N. T.; Gnanam, F. D.

1997-08-01

One of the least desirable calcifications in the human body is the mineral deposition in atherosclerosis plaques. These plaques principally consist of lipids such as cholesterol, cholesteryl esters, phospholipids and triglycerides. Chemical analysis of advanced plaques have shown the presence of considerable amounts of free cholesterol identified as cholesterol monohydrate crystals. Cholesterol has been crystallized in vitro. The extracts of some of the Indian medicinal plants detailed below were used as additives to study their effect on the crystallization behaviour of cholesterol. It has been found that many of the herbs have inhibitory effect on the crystallization such as nucleation, crystal size and habit modification. The inhibitory effect of the plants are graded as Commiphora mughul > Aegle marmeleos > Cynoden dactylon > Musa paradisiaca > Polygala javana > Alphinia officinarum > Solanum trilobatum > Enicostemma lyssopifolium.

Anti-solvent co-crystallization of carbamazepine and saccharin.

Science.gov (United States)

Wang, In-Chun; Lee, Min-Jeong; Sim, Sang-Jun; Kim, Woo-Sik; Chun, Nan-Hee; Choi, Guang J

2013-06-25

The co-crystal approach has been investigated extensively over the past decade as one of the most promising methods to enhance the dissolution properties of insoluble drug substances. Co-crystal powders are typically produced by mechanical grinding (neat or wet) or a solution method (evaporation or cooling). In this study, high-purity carbamazepine-saccharin (CBZ-SAC) co-crystals were manufactured by a novel method, anti-solvent addition. Among various solvents, methanol was found to perform well with water as the anti-solvent for the co-crystallization of CBZ and SAC. When water was added to the methanol solution of CBZ and SAC at room temperature under agitation, nucleation of CBZ-SAC co-crystals occurred within 2-3 min. Co-crystallization was complete after 30 min, giving a solid yield as high as 84.5% on a CBZ basis. The effects of initial concentrations, focusing on the SAC/CBZ ratio, were examined to establish optimal conditions. The whole anti-solvent co-crystallization process was monitored at-line via ATR-FTIR analysis of regularly sampled solutions. The nucleation and crystal growth of CBZ-SAC co-crystals were detected by a significant increase in absorption in the range of 2400-2260 cm(-1), associated with the formation of hydrogen bonds between the carbonyl group in CBZ and the N-H of SAC. When CBZ hydrates were formed as impurities during anti-solvent co-crystallization, the hydrogen bonding between methanol and water was reduced greatly, primarily due to the incorporation of water molecules into the CBZ crystal lattice. In conclusion, an anti-solvent approach can be used to produce highly pure CBZ-SAC co-crystal powders with a high solid yield. Copyright © 2013 Elsevier B.V. All rights reserved.

Process Analytical Technology in Freeze-Drying: Detection of the Secondary Solute + Water Crystallization with Heat Flux Sensors.

Science.gov (United States)

Wang, Qiming; Shalaev, Evgenyi

2018-04-01

In situ and non-invasive detection of solute crystallization during freeze-drying would facilitate cycle optimization and scale-up from the laboratory to commercial manufacturing scale. The objective of the study is to evaluate heat flux sensor (HFS) as a tool for monitoring solute crystallization and other first-order phase transitions (e.g., onset of freezing). HFS is a thin-film differential thermopile, which acts as a transducer to generate an electrical signal proportional to the total heat applied to its surface. In this study, HFS is used to detect both primary (ice formation) and secondary (also known as eutectic) solute + water crystallization during cooling and heating of solutions in a freeze-dryer. Binary water-solute mixtures with typical excipients concentrations (e.g., 0.9% of NaCl and 5% mannitol) and fill volumes (1 to 3 ml/vial) are studied. Secondary crystallization is detected by the HFS during cooling in all experiments with NaCl solutions, whereas timing of mannitol crystallization depends on the cooling conditions. In particular, mannitol crystallization takes place during cooling, if the cooling rate is lower than the critical value. On the other hand, if the cooling rate exceeds the critical cooling rate, mannitol crystallization during cooling is prevented, and crystallization occurs during subsequent warming or annealing. It is also observed that, while controlled ice nucleation allows initiation of the primary freezing event in different vials simultaneously, there is a noticeable vial-to-vial difference in the timing of secondary crystallization. The HFS could be a valuable process monitoring tool for non-invasive detection of various crystallization events during freeze-drying manufacturing.

Two-Stage Crystallizer Design for High Loading of Poorly Water-Soluble Pharmaceuticals in Porous Silica Matrices

Directory of Open Access Journals (Sweden)

Leia Dwyer

2017-05-01

Full Text Available While porous silica supports have been previously studied as carriers for nanocrystalline forms of poorly water-soluble active pharmaceutical ingredients (APIs, increasing the loading of API in these matrices is of great importance if these carriers are to be used in drug formulations. A dual-stage mixed-suspension, mixed-product removal (MSMPR crystallizer was designed in which the poorly soluble API fenofibrate was loaded into the porous matrices of pore sizes 35 nm–300 nm in the first stage, and then fed to a second stage in which the crystals were further grown in the pores. This resulted in high loadings of over 50 wt % while still producing nanocrystals confined to the pores without the formation of bulk-sized crystals on the surface of the porous silica. The principle was extended to another highly insoluble API, griseofulvin, to improve its loading in porous silica in a benchtop procedure. This work demonstrates a multi-step crystallization principle API in porous silica matrices with loadings high enough to produce final dosage forms of these poorly water-soluble APIs.

Efficient green luminescence of terbium oxalate crystals: A case study with Judd-Ofelt theory and single crystal structure analysis and the effect of dehydration on luminescence

Science.gov (United States)

Alexander, Dinu; Joy, Monu; Thomas, Kukku; Sisira, S.; Biju, P. R.; Unnikrishnan, N. V.; Sudarsanakumar, C.; Ittyachen, M. A.; Joseph, Cyriac

2018-06-01

Design and synthesis of Lanthanide based metal organic framework is a frontier area of research owing to their structural diversity enabling specific applications. The luminescence properties of rare earths, tuned by the structural features of Ln-MOFs are investigated extensively. Rare earth oxalates which can be synthesized in a facile method, ensuring the structural features of MOFs with excellent photoluminescence characteristics deserves much attention. This work is the first time report on the single crystal structure and Judd-Ofelt (JO) theoretical analysis - their correlation with the intense and sharp green luminescence of Terbium oxalate crystals. The intense green luminescence observed for Terbium oxalate crystals for a wide range of excitation from DUV to visible region despite the luminescence limiting factors are discussed. The absence of concentration quenching and lifting up of forbidden nature of f-f transitions, allowing direct excitation of Terbium ions is analysed with the help of JO theory and single crystal structure analysis. The JO analysis predicted the asymmetry of Terbium sites, allowing the electric dipole transitions and from the JO intensity parameters, promising spectroscopic parameters - emission cross section, branching ratio, gain band width and gain coefficient of the material were calculated. The single crystal structure analysis revealed the asymmetry of Tb sites and structure of Terbium oxalate is formed by the hydrogen bonded stacking of overlapped six Terbium membered rings connected by the oxalate ligands. The molecularly thick layers thus formed on the crystal surface are imaged by the atomic force microscopy. The presence of water channels in the structure and the effect of lattice water molecules on the luminescence intensity are also investigated.

Crystal structure of the tetraaquabis(thiocyanato-κNcobalt(II–caffeine–water (1/2/4 co-crystal

Directory of Open Access Journals (Sweden)

H. El Hamdani

2017-07-01

Full Text Available In the structure of the title compound [systematic name: tetraaquabis(thiocyanato-κNcobalt(II–1,3,7-trimethyl-1,2,3,6-tetrahydro-7H-purine-2,6-dione–water (1/2/4], [Co(NCS2(H2O4]·2C8H10N4O2·4H2O, the cobalt(II cation lies on an inversion centre and is coordinated in a slightly distorted octahedral geometry by the oxygen atoms of four water molecules and two N atoms of two trans-arranged thiocyanate anions. In the crystal, the complex molecules interact with the caffeine molecules through O—H...N, O—H...O and C—H...S hydrogen bonds and π–π interactions [centroid-to-centroid distance = 3.4715 (5 Å], forming layers parallel to the ab plane, which are further connected into a three-dimensional network by O—H...O and O—H...S hydrogen bonds involving the non-coordinating water molecules.

Cooling Crystallization of Indomethacin: Effect of Supersaturation, Temperature and Seeding on Polymorphism and Crystal Size Distribution

DEFF Research Database (Denmark)

Malwade, Chandrakant Ramkrishna; Qu, Haiyan

2018-01-01

In this work, effect of crystallization parameters i.e., supersaturation, seeding, and temperature on polymorphism and crystal size of a non-steroidal anti-inflammatory drug, indomethacin (IMC), was investigated. Firstly, several crystallization solvents (ethanol, methanol, ethyl acetate, acetone...... of IMC from ethanol confirmed that the supersaturation, operating temperature and seeding does affect the polymorphism as well as crystal size distribution of IMC. Fine needle shaped crystals of metastable α-IMC were obtained at 5 °C with high supersaturation even in presence of γ-IMC seeds, while...... rhombic plates like crystals of thermodynamically stable γ-IMC were obtained in remaining experiments. The amount of seed loading only marginally influenced the crystal growth rate and median particle diameter (d50). Particle size analysis of crystals obtained showed bimodal distribution in all...

Ikaite crystals in melting sea ice – implications for pCO2 and pH levels in Arctic surface waters

DEFF Research Database (Denmark)

Rysgaard, Søren; Glud, R.N.; Lennert, K.

2012-01-01

A major issue of Arctic marine science is to understand whether the Arctic Ocean is, or will be, a source or sink for air-sea CO 2 exchange. This has been complicated by the recent discoveries of ikaite (a polymorph of CaCO 3•6H 2O) in Arctic and Antarctic sea ice, which indicate that multiple...... chemical transformations occur in sea ice with a possible effect on CO 2 and pH conditions in surface waters. Here, we report on biogeochemical conditions, microscopic examinations and x-ray diffraction analysis of single crystals from a melting 1.7 km 2 (0.5-1 m thick) drifting ice floe in the Fram Strait...... during summer. Our findings show that ikaite crystals are present throughout the sea ice but with larger crystals appearing in the upper ice layers. Ikaite crystals placed at elevated temperatures disintegrated into smaller crystallites and dissolved. During our field campaign in late June, melt reduced...

The Effect of Water Table Fluctuation and its Salinity on Fe Crystal and Noncrystal in some Khuzestan Soils

Directory of Open Access Journals (Sweden)

mostafa Pajohannia

2017-01-01

Full Text Available Introduction: Iron is found in different forms in the soil. In the primary minerals, iron is found as Fe3+ or Fe2+ which converted to Fe2+ and released in unsuitable reduction conditions. Minerals such as sulfide or chlorine and bicarbonate can affect and change the different forms soil Fe. FeAs these elements are abundance in groundwater or soil, they are capable to react chemically with Fe and change different Fe forms and also may deposit or even leach them by increasing its solubility in the soil. Water table fluctuation is a regular phenomenon in Khuzestan that Fe forms change under these situations. The study of Fe oxide forms and its changes can be applied for evaluation of soil development. Therefore, the aim of this study is the water table fluctuation and its quality effects, and some physio-chemical properties on Fe oxides forms in non-saline and saline soils in Khuzestan. Materials and Methods: Soil samples were collected from two regions: saline (Abdolkhan and non-saline (South Susa regions. soil samples were collected from all horizons of 12 soil field studied profiles . The samples were analyzed for soil texture, pH, EC (soil: water ratio 1:5, organic carbon and aggregate stability (Kemper and Rosenau method. Fe forms also were extracted by two methods in all samples: di-tyonite sodium and ammonium oxalate extraction. Fe oxalate extracted was related to Feo (non crystal Fe and Fed-Feo was related to Fec (crystalline Fe. The Fe content were determined by atomic absorbtion spectrophotometer (AAS. Data were analysis in SAS and Excel software and results were presented. Results and Discussion: The results showed that texture were loamy sand to silty clay loam, OM was very poor (0.1-0.7%. The soil salinity was also 2.8-16.8 dS/m. Calcium carbonate equivalent was 38-40%. All pedons were classified in Entisols and Inceptisols according to Keys to soil taxonomy (2010. The results showed that the proportion of Fe with oxalate to di

Channeling and related crystal effects

International Nuclear Information System (INIS)

Uggerhoj, Erik

1995-01-01

Channeling, the interaction of particles with oriented crystals, has been applied in a wide variety of scientific and technological areas. A workshop at Aarhus, Denmark, this summer highlighted progress and future directions. Radiation emission has been explored and linked to coherent bremsstrahlung and other oriented crystal radiations. Dramatic effects have been found for ultra-relativistic electrons with Lorentz factors of 105 6. Single crystals are unique for investigations of quantum electrodynamics in strong external fields because probabilities for processes in axial/ planar fields are determined by the magnitude of these fields in the particle rest frame. Erik Uggerhoj of Aarhus reported on an extensive series of experiments concerning radiation emission, pair production, and shower formation carried out at CERN by the NA43 collaboration. As Vladimir Baier of Novosibirsk and Yuri Kononets of Kurchatov noted, theoretical treatment of these interconnected radiation distributions is challenging and much work needs to be done. In general, the agreement with the CERN experiments is good, but many areas like polarization phenomena and particle production need investigation. Prominent among high energy applications is extraction from accelerators. At the workshop, Alexei Asseev reported on beam extraction using a bent crystal at Serpukhov. Konrad Elsener and Jukka Klem reviewed recent CERN SPS studies driven by the possibility of using crystals for extraction of LHC beams. Thornton Murphy of Fermilab announced a step in that direction, with a demonstration this summer of extraction from the Tevatron at 900 GeV. Bent crystal channeling is also used for handling extracted high energy beams. Niels Doble presented a beautiful example of a beam for the CERN NA48 CP-violation experiment. Yuri Chesnokov reported that beams had been deflected through angles up to 150 milliradians at Serpukhov

Effects of Humidity and Surfaces on the Melt Crystallization of Ibuprofen

OpenAIRE

Lee, Dong-Joo; Lee, Suyang; Kim, Il Won

2012-01-01

Melt crystallization of ibuprofen was studied to understand the effects of humidity and surfaces. The molecular self-assembly during the amorphous-to-crystal transformation was examined in terms of the nucleation and growth of the crystals. The crystallization was on Al, Au, and self-assembled monolayers with –CH₃, –OH, and –COOH functional groups. Effects of the humidity were studied at room temperature (18–20 °C) with relative humidity 33%, 75%, and 100%. Effects of t...

Ice crystallization in ultrafine water-salt aerosols: nucleation, ice-solution equilibrium, and internal structure.

Science.gov (United States)

Hudait, Arpa; Molinero, Valeria

2014-06-04

Atmospheric aerosols have a strong influence on Earth's climate. Elucidating the physical state and internal structure of atmospheric aqueous aerosols is essential to predict their gas and water uptake, and the locus and rate of atmospherically important heterogeneous reactions. Ultrafine aerosols with sizes between 3 and 15 nm have been detected in large numbers in the troposphere and tropopause. Nanoscopic aerosols arising from bubble bursting of natural and artificial seawater have been identified in laboratory and field experiments. The internal structure and phase state of these aerosols, however, cannot yet be determined in experiments. Here we use molecular simulations to investigate the phase behavior and internal structure of liquid, vitrified, and crystallized water-salt ultrafine aerosols with radii from 2.5 to 9.5 nm and with up to 10% moles of ions. We find that both ice crystallization and vitrification of the nanodroplets lead to demixing of pure water from the solutions. Vitrification of aqueous nanodroplets yields nanodomains of pure low-density amorphous ice in coexistence with vitrified solute rich aqueous glass. The melting temperature of ice in the aerosols decreases monotonically with an increase of solute fraction and decrease of radius. The simulations reveal that nucleation of ice occurs homogeneously at the subsurface of the water-salt nanoparticles. Subsequent ice growth yields phase-segregated, internally mixed, aerosols with two phases in equilibrium: a concentrated water-salt amorphous mixture and a spherical cap-like ice nanophase. The surface of the crystallized aerosols is heterogeneous, with ice and solution exposed to the vapor. Free energy calculations indicate that as the concentration of salt in the particles, the advance of the crystallization, or the size of the particles increase, the stability of the spherical cap structure increases with respect to the alternative structure in which a core of ice is fully surrounded by

Effect of Galla chinensis on enhancing remineralization of enamel crystals

Energy Technology Data Exchange (ETDEWEB)

Cheng Lei; Huang Shengbin [State Key Laboratory of Oral Disease, Sichuan University, Chengdu (China); Li Jiyao; Zhou Xuedong, E-mail: stonedentist@yahoo.c [West China College of Stomatology, Sichuan University, Chengdu (China)

2009-06-15

The aim of this scanning electron microscopy (SEM) study was to investigate the effect of chemical compounds of Galla chinensis (GCE, gallic acid) on the remineralization of enamel crystals in vitro. Bovine enamel blocks with an in vitro produced initial lesion were used. The lesions were subjected to a pH-cycling regime for 12 days. Each daily cycle included 4 x 1 min applications with one of six treatments: group A: 1000 ppm F aq. (as NaF, positive control); group B: deionized water (DDW, negative control); group C: 4000 ppm crude aqueous extract of GCE; group D: 4000 ppm gallic acid; group E: 4000 ppm GCE with 1000 ppm F; group F: 4000 ppm gallic acid with 1000 ppm F. The surface and vertical section of the enamel lesions were analyzed by SEM. The results indicated that the chemical compounds of G. chinensis could regulate the de-/remineralization balance through influencing the morphology and structure of enamel crystals, and the mechanisms seem to be different for GCE and gallic acid.

Effect of Galla chinensis on enhancing remineralization of enamel crystals

International Nuclear Information System (INIS)

Cheng Lei; Huang Shengbin; Li Jiyao; Zhou Xuedong

2009-01-01

The aim of this scanning electron microscopy (SEM) study was to investigate the effect of chemical compounds of Galla chinensis (GCE, gallic acid) on the remineralization of enamel crystals in vitro. Bovine enamel blocks with an in vitro produced initial lesion were used. The lesions were subjected to a pH-cycling regime for 12 days. Each daily cycle included 4 x 1 min applications with one of six treatments: group A: 1000 ppm F aq. (as NaF, positive control); group B: deionized water (DDW, negative control); group C: 4000 ppm crude aqueous extract of GCE; group D: 4000 ppm gallic acid; group E: 4000 ppm GCE with 1000 ppm F; group F: 4000 ppm gallic acid with 1000 ppm F. The surface and vertical section of the enamel lesions were analyzed by SEM. The results indicated that the chemical compounds of G. chinensis could regulate the de-/remineralization balance through influencing the morphology and structure of enamel crystals, and the mechanisms seem to be different for GCE and gallic acid.

Slow-light effects in photonic crystal membrane lasers

DEFF Research Database (Denmark)

Xue, Weiqi; Yu, Yi; Ottaviano, Luisa

2015-01-01

In this paper, we present a systematic investigation of photonic crystal cavity laser operating in the slow-light regime. The dependence of lasing threshold on the effect of slow-light will be particularly highlighted.......In this paper, we present a systematic investigation of photonic crystal cavity laser operating in the slow-light regime. The dependence of lasing threshold on the effect of slow-light will be particularly highlighted....

DISCOVERY OF CRYSTALLIZED WATER ICE IN A SILHOUETTE DISK IN THE M43 REGION

Energy Technology Data Exchange (ETDEWEB)

Terada, Hiroshi [Subaru Telescope, National Astronomical Observatory of Japan, 650 North A' ohoku Place, Hilo, HI 96720 (United States); Tokunaga, Alan T., E-mail: terada@subaru.naoj.org [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu 96822 (United States)

2012-07-01

We present the 1.9-4.2 {mu}m spectra of the five bright (L {<=} 11.2) young stars associated with silhouette disks with a moderate to high inclination angle of 39 Degree-Sign -80 Degree-Sign in the M42 and M43 regions. The water ice absorption is seen toward d121-1925 and d216-0939, while the spectra of d182-316, d183-405, and d218-354 show no water ice feature around 3.1 {mu}m within the detection limits. By comparing the water ice features toward nearby stars, we find that the water ice absorption toward d121-1925 and d216-0939 most likely originates from the foreground material and the surrounding disk, respectively. The angle of the disk inclination is found to be mainly responsible for the difference of the optical depth of the water ice among the five young stars. Our results suggest that there is a critical inclination angle between 65 Degree-Sign and 75 Degree-Sign for the circumstellar disk where the water ice absorption becomes strong. The average density at the disk surface of d216-0939 was found to be 6.38 Multiplication-Sign 10{sup -18} g cm{sup -3}. The water ice absorption band in the d216-0939 disk is remarkable in that the maximum optical depth of the water ice band is at a longer wavelength than detected before. It indicates that the primary carrier of the feature is purely crystallized water ice at the surface of the d216-0939 disk with characteristic size of {approx}0.8 {mu}m, which suggests grain growth. This is the first direct detection of purely crystallized water ice in a silhouette disk.

Time, Temperature and Amount of Distilled Water Effects on the Purity and Yield of Bis(2-hydroxyethyl Terephthalate Purification System

Directory of Open Access Journals (Sweden)

H.W. Goh

2015-07-01

Full Text Available Polyethylene terephthalate (PET bottle is one of the common plastic wastes existed in the municipal solid waste in Malaysia. One alternative to solve the abundant of PET wastes is chemical recycling of the wastes to produce a value added product. This technology not only can decrease the PET wastes in landfill sites but also can produce many useful recycled PET products. Bis(2-hydroxyethyl terephthalate (BHET obtained from glycolysis reaction of PET waste was purified using crystallization process. The hot distilled water was added to glycolysis product followed by cooling and filtration to extract BHET in white solid form from the product. The effect of three operating conditions namely crystallization time, crystallization temperatures and amount of distilled water used to the yield of crystallization process were investigated. The purity of crystallization products were analyzed using HPLC and DSC. The optimum conditions of 3 hours crystallization time, 2 °C crystallization temperature and 5:1 mass ratio of distilled water used to glycolize solid gave the highest yield and purity of the crystallization process. © 2015 BCREC UNDIP. All rights reservedReceived: 12nd August 2014; Revised: 4th February 2015; Accepted: 5th February 2015How to Cite: Goh, H.W., Salmiaton, A., Abdullah, N., Idris, A. (2015. Time, Temperature and Amount of Distilled Water Effects on the Purity and Yield of Bis(2-hydroxyethyl Terephthalate Purification System. Bulletin of Chemical Reaction Engineering & Catalysis, 10 (2: 143-154. (doi:10.9767/bcrec.10.2.7195.143-154 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.10.2.7195.143-154  

The effect of stirring on the heterogeneous nucleation of water and of clathrates of tetrahydrofuran/water mixtures

Directory of Open Access Journals (Sweden)

P.W. Wilson

2016-03-01

Full Text Available The statistics of liquid-to-crystal nucleation are measured for both water and for clathrate-forming mixtures of tetrahydrofuran (THF and water using an automatic lag time apparatus (ALTA. We measure the nucleation temperature using this apparatus in which a single sample is repeatedly cooled, nucleated and thawed. The effect of stirring on nucleation has been evaluated numerically and is discussed. We find that stirring of the solution makes no difference to the nucleation temperature of a given solution in a given tube.

Fabrication of Terahertz Wave Resonators with Alumina Diamond Photonic Crystals for Frequency Amplification in Water Solvents

International Nuclear Information System (INIS)

Ohta, N; Niki, T; Kirihara, S

2011-01-01

Terahertz wave resonators composed of alumina photonic crystals with diamond lattice structures were designed and fabricated by using micro stereolithography. These three dimensional periodic structures can reflect perfectly electromagnetic waves through Bragg diffraction. A micro glass cell including water solutions was put between the photonic crystals as a novel resonance sensor with terahertz frequency range. The localized and amplified waves in the resonators were measured by a spectroscopy, and visualized by theoretical simulations.

Influence of crystal shapes on radiative fluxes in visible wavelength: ice crystals randomly oriented in space

Directory of Open Access Journals (Sweden)

P. Chervet

1996-08-01

Full Text Available Radiative properties of cirrus clouds are one of the major unsolved problems in climate studies and global radiation budget. These clouds are generally composed of various ice-crystal shapes, so we tried to evaluate effects of the ice-crystal shape on radiative fluxes. We calculated radiative fluxes of cirrus clouds with a constant geometrical depth, composed of ice crystals with different shapes (hexagonal columns, bullets, bullet-rosettes, sizes and various concentrations. We considered ice particles randomly oriented in space (3D case and their scattering phase functions were calculated by a ray-tracing method. We calculated radiative fluxes for cirrus layers for different microphysical characteristics by using a discrete-ordinate radiative code. Results showed that the foremost effect of the ice-crystal shape on radiative properties of cirrus clouds was that on the optical thickness, while the variation of the scattering phase function with the ice shape remained less than 3% for our computations. The ice-water content may be a better choice to parameterize the optical properties of cirrus, but the shape effect must be included.

Draft Tube Baffle (DTB) crystallizers: A study of stationary and dynamically behaving Crystal Size Distributions (CSD)

Science.gov (United States)

Deleer, B. G. M.

1981-11-01

Based on population balance, CSD behavior as a function of geometrical and operating variables was studied, using a crystallizer. A potash alum-water system, involving a separation technique which uses surface active agents and an apolar, organic liquid to separate potash alum crystals from mother liquid under the influence of gravity was used to check experimental findings against literature data. Results show action of annular settling spaces is strongly influenced by fluid velocities perpendicular to those directed upwards. The well-mixed volume decreases with increasing crystallizer size until a minimum effective volume is reached. As supersaturation is constant throughout the crystallizer volume under stationary operating conditions, the annular settling space behaves like a growth chamber for crystals in its volume. Swirl in the lower part of the annular volume introduces significant back mixing. Crystals within this space either grow and return to the well-mixed part, or withdraw from the annular volume permanently.

Crystallization: the hidden dimension of Hedge funds' fee structure

OpenAIRE

Elaut, Gert; Frömmel, Michael; Sjödin, John

2014-01-01

We investigate the implications of variations in the frequency with which hedge fund managers update their high-water mark on fees paid by investors. We first document the crystallization frequencies used by Commodity Trading Advisors (CTAs) and then perform simulations and a bootstrap analysis. We find a statistically and economically significant effect of the crystallization frequency on the total fee load. Hedge funds' total fee load increases significantly as the crystallization frequency...

Effect of grain boundary on the field-effect mobility of microrod single crystal organic transistors.

Science.gov (United States)

Kim, Jaekyun; Kang, Jingu; Cho, Sangho; Yoo, Byungwook; Kim, Yong-Hoon; Park, Sung Kyu

2014-11-01

High-performance microrod single crystal organic transistors based on a p-type 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) semiconductor are fabricated and the effects of grain boundaries on the carrier transport have been investigated. The spin-coating of C8-BTBT and subsequent solvent vapor annealing process enabled the formation of organic single crystals with high aspect ratio in the range of 10 - 20. It was found that the organic field-effect transistors (OFETs) based on these single crystals yield a field-effect mobility and an on/off current ratio of 8.04 cm2/Vs and > 10(5), respectively. However, single crystal OFETs with a kink, in which two single crystals are fused together, exhibited a noticeable drop of field-effect mobility, and we claim that this phenomenon results from the carrier scattering at the grain boundary.

Formation of Piroxicam Polymorphism in Solution Crystallization

DEFF Research Database (Denmark)

Bruun Hansen, Thomas; Qu, Haiyan

2015-01-01

also explored, and new insights into polymorphic control are documented and discussed. The crystal landscape was mapped for cooling crystallization of piroxicam from acetone/water mixtures (0.5 K/min) and for antisolvent crystallization from acetone with water as the antisolvent. Varying cooling rates...

Crystal nucleation initiated by transient ion-surface interactions at aerosol interfaces.

Science.gov (United States)

Davis, Ryan D; Tolbert, Margaret A

2017-07-01

Particle collisions are a common occurrence in the atmosphere, but no empirical observations exist to fully predict the potential effects of these collisions on air quality and climate projections. The current consensus of heterogeneous crystal nucleation pathways relevant to the atmosphere dictates that collisions with amorphous particles have no effect on the crystallization relative humidity (RH) of aqueous inorganic aerosols because there is no stabilizing ion-surface interaction to facilitate the formation of crystal nuclei. In contrast to this view of heterogeneous nucleation, we report laboratory observations demonstrating that collisions with hydrophobic amorphous organic aerosols induced crystallization of aqueous inorganic microdroplets at high RH, the effect of which was correlated with destabilizing water-mediated ion-specific surface interactions. These same organic aerosols did not induce crystallization once internally mixed in the droplet, pointing toward a previously unconsidered transient ion-specific crystal nucleation pathway that can promote aerosol crystallization via particle collisions.

Thermal behaviour of strontium tartrate single crystals grown in gel

Indian Academy of Sciences (India)

Thermal behaviour of strontium tartrate crystals grown with the aid of sodium metasilicate gel is investigated using thermogravimetry (TG) and differential thermal analysis (DTA). Effect of magnetic field and dopant (Pb)2+ on the crystal stability is also studied using thermal analysis. This study reveals that water molecules are ...

Synthesis, Crystal Structure and Water Vapor Adsorption Properties of a Porous Supramolecular Architecture

Directory of Open Access Journals (Sweden)

Rui Qiao

2017-10-01

Full Text Available A new complex, [Cu4(HL4(H2O14] (1, H3L·HCl = 5-((4-carboxypiperidin-1-ylmethylisophthalic acid hydrochloride, has been prepared and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy and powder X-ray diffraction (PXRD. The result of the X-ray diffraction analysis reveals that the complex crystallizes in monoclinic, space group C2/c and three unique Cu(II atoms that are connected by partially deprotonated HL2− anion to form a cyclic structure. The rich hydrogen bonding and π-π non-covalent packing interactions extend cyclic units into a three-dimensional (3D supramolecular polymer. Moreover, the thermogravimetric (TG analysis and water vapor adsorption property of 1 were also discussed.

Semi-Dirac points in phononic crystals

KAUST Repository

Zhang, Xiujuan

2014-01-01

A semi-Dirac cone refers to a peculiar type of dispersion relation that is linear along the symmetry line but quadratic in the perpendicular direction. It was originally discovered in electron systems, in which the associated quasi-particles are massless along one direction, like those in graphene, but effective-mass-like along the other. It was reported that a semi-Dirac point is associated with the topological phase transition between a semi-metallic phase and a band insulator. Very recently, the classical analogy of a semi-Dirac cone has been reported in an electromagnetic system. Here, we demonstrate that, by accidental degeneracy, two-dimensional phononic crystals consisting of square arrays of elliptical cylinders embedded in water are also able to produce the particular dispersion relation of a semi-Dirac cone in the center of the Brillouin zone. A perturbation method is used to evaluate the linear slope and to affirm that the dispersion relation is a semi-Dirac type. If the scatterers are made of rubber, in which the acoustic wave velocity is lower than that in water, the semi-Dirac dispersion can be characterized by an effective medium theory. The effective medium parameters link the semi-Dirac point to a topological transition in the iso-frequency surface of the phononic crystal, in which an open hyperbola is changed into a closed ellipse. This topological transition results in drastic change in wave manipulation. On the other hand, the theory also reveals that the phononic crystal is a double-zero-index material along the x-direction and photonic-band-edge material along the perpendicular direction (y-direction). If the scatterers are made of steel, in which the acoustic wave velocity is higher than that in water, the effective medium description fails, even though the semi-Dirac dispersion relation looks similar to that in the previous case. Therefore different wave transport behavior is expected. The semi-Dirac points in phononic crystals described in

The effect factors of potassium dihydrogen phosphate crystallization in aqueous solution

Science.gov (United States)

Zhou, Cun; Sun, Fei; Liu, Xuzhao

2017-01-01

The effects of cooling rate and pH on the potassium dihydrogen phosphate crystallization process were studied by means of batch crystallization process. The experiment shows that with the increase of cooling rate, the metastable zone width increase and the induction period decrease. When the pH is 3.0, the metastable zone width and induction period are both the minimum, while the crystallization rate is the highest. The crystallization products were characterized by scanning election microscope. Potassium Dihydrogen Phosphate (KDP) is a kind of excellent nonlinear optical materials, and belongs to tetragonal system, and ideal shape is aggregate of tetragonal prism and tetragonal dipyramid, the (100) cone is alternating accumulation by double positive ions and double negative ions [1-4]. The crystals of aqueous solution method to grow have large electro-optical nonlinear coefficient and high loser-damaged threshold, and it is the only nonlinear optical crystal could be used in inertial confinement fusion (ICF), KDP crystals are the ideal system to study the native defects of complex oxide insulating material [5-7]. With the development of photovoltaic technology, KDP crystals growth and performance have become a research focus worldwide [8, 9]. The merits of the crystallization process directly affect the quality of KDP products, so the study of the effect of crystallization conditions has an important significance on industrial production. This paper studied the change rule of metastable zone width, induction period, crystallization rate and particle size distribution in crystal process, and discussed the technical condition of KDP crystallization.

EVALUATION OF SODIUM CHLORIDE CRYSTALLIZATION IN MEMBRANE DISTILLATION CRYSTALLIZATION APPLIED TO WATER DESALINATION

Directory of Open Access Journals (Sweden)

Y. N. Nariyoshi

Full Text Available Abstract Crystallization in a Direct Contact Membrane Distillation (DCMD process was studied both theoretically and experimentally. A mathematical model was proposed in order to predict the transmembrane flux in DCMD. The model fitted well experimental data for the system NaCl-H2O from undersaturated to supersaturated conditions in a specially designed crystallization setup at a bench scale. It was found that higher transmembrane fluxes induce higher temperature and concentration polarizations, as well as higher supersaturation in the vicinity of the solution-vapor interface. In this region, the supersaturation ratio largely exceeded the metastable limit for NaCl crystallization for the whole range of transmembrane fluxes of 0.37 to 1.54 kg/ (m2 h, implying that heterogeneous primary nucleation occurred close to such interface either in solution or on the membrane surface. Solids formed in solution accounted for 14 to 36% of the total solids, whereas solid formed on the membrane surface (fouling was responsible for 6 to 19%. The remaining solids deposited on other surfaces such as in pumps and pipe fittings. It was also discovered that, by increasing the supersaturation ratio, heterogeneous nucleation in solution increased and on the membrane surface decreased. Heterogeneous nuclei in solution grew in size both by a molecular mechanism and by agglomeration. Single crystals were cubic shaped with well-formed edges and dominant size of about 40 µm whereas agglomerates were about 240 µm in size. The approach developed here may be applied to understanding crystallization phenomena in Membrane Distillation Crystallization (MDC processes of any scale.

Radiation effects in corundum single crystals

International Nuclear Information System (INIS)

Gevorkyan, V.A.; Harutunyan, V.V.; Hakhverdyan, E.A.

2005-01-01

On the basis of new experimental results and analysis of publications it is shown that in the lattice of corundum crystals the high-energy particles create stable structural defects due to knocking out of atoms from normal sites of the anionic sublattice; this leads to the formation of F and F '+ centers as well as to other complex [Al i '+ F] type color centers. The essence of 'radiation memory' effect in corundum single crystals is that the high-energy particles irradiation, annealing at high temperatures and additional irradiation by X-rays result in the restoration of some spectral bands of the optical absorption in the range 200-650 nm

Water concentration controlled hydrolysis and crystallization in n-octanol to TiO{sub 2} nanocrystals with size below 10 nm

Energy Technology Data Exchange (ETDEWEB)

Wang Meilan [School of Chemical and Biological Science and Engineering, Yantai University, Yantai 264005 (China); He Tao, E-mail: htzy79@yahoo.com.cn [School of Chemical and Biological Science and Engineering, Yantai University, Yantai 264005 (China); Pan Yanfei; Liao Weiping [School of Chemical and Biological Science and Engineering, Yantai University, Yantai 264005 (China); Zhang Shangzhou; Du Wei [School of Environment and Materials Engineering, Yantai University, Yantai 264005 (China)

2011-11-01

Highlights: {yields} Controlled hydrolysis of alkoxide was realized by adjusting water concentration. {yields} Carrying out hydrolysis under different water concentration gave hydrolyzed intermediate with different composition. {yields} A precise size control below 10 nm for anatase TiO{sub 2} nanocrystals was realized. - Abstract: Hydrolysis of tetrabutyl titanate (TBT) and crystallization from hydrolyzed intermediates were carried out in a simple ternary system including n-octanol, TBT and water. Anatase TiO{sub 2} nanocrystals (NCS) were prepared with precise size control below 10 nm. The hydrolysis rate at different water concentration (C{sub water}) was evaluated by measuring the induction time before turbidity changing of the synthetic solution. Fourier transform infrared spectrum (FT-IR) and thermogravimetric/differential thermal analysis (TG/DTA) techniques were applied to make clear the composition of hydrolyzed intermediates obtained at different C{sub water}. Powder X-ray diffraction (XRD) technique was used to track the crystallization process of TiO{sub 2} NCS. Transmission electron microscopy (TEM), XRD, FT-IR and TG/DTA techniques were used to characterize the particular properties of NCS. The C{sub water} controlled mechanism responsible for the slow hydrolysis and crystallization were discussed. Since no other organic capping ligands or rapid injecting techniques were used to limit NCS' growth and the solvent n-octanol can be easily separated and reused, this simple synthetic process is of green chemistry and has application potential in large-scale preparation of inorganic NCS.

Effect of water on self-assembled tubules in β-sitosterol + γ-oryzanol-based organogels

Science.gov (United States)

den Adel, Ruud; Heussen, Patricia C. M.; Bot, Arjen

2010-10-01

Mixtures of β-sitosterol and γ-oryzanol form a network in triglyceride oil that may serve as an alternative to the network of small crystallites of triglycerides occurring in regular oil structuring. The present x-ray diffraction study investigates the relation between the crystal forms of the individual compounds and the mixture in oil, water and emulsion. β-Sitosterol and γ-oryzanol form normal crystals in oil, in water, or in emulsions. The crystals are sensitive to the presence of water. The mixture of β-sitosterol + γ-oryzanol forms crystals in water and emulsions that can be traced back to the crystals of the pure compounds. Only in oil, a completely different structure emerges in the mixture of β-sitosterol + γ-oryzanol, which bears no relation to the structures that are formed by both individual compounds, and which can be identified as a self-assembled tubule (diameter 7.2±0.1 nm, wall thickness 0.8±0.2 nm).

Effect of water on self-assembled tubules in {beta}-sitosterol + {gamma}-oryzanol-based organogels

Energy Technology Data Exchange (ETDEWEB)

Adel, Ruud den; Heussen, Patricia C M; Bot, Arjen, E-mail: ruud-den.adel@unilever.co [Unilever Research and Development Vlaardingen, Olivier van Noortlaan 120, NL-3133 AT Vlaardingen (Netherlands)

2010-10-01

Mixtures of {beta}-sitosterol and {gamma}-oryzanol form a network in triglyceride oil that may serve as an alternative to the network of small crystallites of triglycerides occurring in regular oil structuring. The present x-ray diffraction study investigates the relation between the crystal forms of the individual compounds and the mixture in oil, water and emulsion. {beta}-Sitosterol and {gamma}-oryzanol form normal crystals in oil, in water, or in emulsions. The crystals are sensitive to the presence of water. The mixture of {beta}-sitosterol + {gamma}-oryzanol forms crystals in water and emulsions that can be traced back to the crystals of the pure compounds. Only in oil, a completely different structure emerges in the mixture of {beta}-sitosterol + {gamma}-oryzanol, which bears no relation to the structures that are formed by both individual compounds, and which can be identified as a self-assembled tubule (diameter 7.2{+-}0.1 nm, wall thickness 0.8{+-}0.2 nm).

Effect of water on self-assembled tubules in β-sitosterol + γ-oryzanol-based organogels

International Nuclear Information System (INIS)

Adel, Ruud den; Heussen, Patricia C M; Bot, Arjen

2010-01-01

Mixtures of β-sitosterol and γ-oryzanol form a network in triglyceride oil that may serve as an alternative to the network of small crystallites of triglycerides occurring in regular oil structuring. The present x-ray diffraction study investigates the relation between the crystal forms of the individual compounds and the mixture in oil, water and emulsion. β-Sitosterol and γ-oryzanol form normal crystals in oil, in water, or in emulsions. The crystals are sensitive to the presence of water. The mixture of β-sitosterol + γ-oryzanol forms crystals in water and emulsions that can be traced back to the crystals of the pure compounds. Only in oil, a completely different structure emerges in the mixture of β-sitosterol + γ-oryzanol, which bears no relation to the structures that are formed by both individual compounds, and which can be identified as a self-assembled tubule (diameter 7.2±0.1 nm, wall thickness 0.8±0.2 nm).

Effects of supporting electrolyte on galvanic deposition of Cu2O crystals

International Nuclear Information System (INIS)

Wang Lida; Liu Guichang; Xue Dongfeng

2011-01-01

Highlights: → The effects of electrolyte on the galvanic deposition of Cu 2 O crystals have been investigated. → The chemical nature of supporting electrolyte plays important roles in the galvanic deposition of Cu 2 O crystals. → Cubic Cu 2 O crystals are formed in chloride electrolytes. → Truncated octahedral Cu 2 O crystals are produced in nitrate, sulfate and fluoride electrolytes. - Abstract: The effects of introduced supporting electrolyte on the galvanic deposition of Cu 2 O crystals have been investigated using scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), X-ray diffraction (XRD). The results show that the chemical nature of supporting electrolytes plays very important roles in the galvanic deposition of Cu 2 O crystals. The chloride stabilizes the (1 0 0) planes of Cu 2 O crystals, resulting in the formation of cubic crystals, while nitrate, sulfate and fluoride stabilize the (1 1 1) planes of Cu 2 O crystals, leading to the deposition of truncated octahedral and octahedral Cu 2 O crystals. It provides a facile way to control the morphology of galvanically obtained Cu 2 O crystals by indirectly adjusting the inorganic adsorption agents.

Ball-milling-induced crystallization and ball-milling effect on thermal crystallization kinetics in an amorphous FeMoSiB alloy

International Nuclear Information System (INIS)

Guo, F.Q.; Lu, K.

1997-01-01

Microstructure evolution in a melt-spun amorphous Fe 77.2 Mo 0.8 Si 9 B 13 alloy subjected to high-energy ball milling was investigated by means of X-ray diffraction (XRD), a transmission electron microscope (TEM), and a differential scanning calorimeter (DSC). It was found that during ball milling, crystallization occurs in the amorphous ribbon sample with precipitation of an α-Fe solid solution, and the amorphous sample crystallizes completely into a single α-Fe nanostructure (rather than α-Fe and borides as in the usual thermal crystallization products) when the milling time exceeds 135 hours. The volume fraction of material crystallized was found to be approximately proportional to the milling time. The fully crystallized sample with a single α-Fe nanophase exhibits an intrinsic thermal stability against phase separation upon annealing at high temperatures. The ball-milling effect on the subsequent thermal crystallization of the amorphous phase in an as-milled sample was studied by comparison of the crystallization products and kinetic parameters between the as-quenched amorphous sample and the as-milled sample was studied by comparison of the crystallization products and kinetic parameters between the as-quenched amorphous sample and the as-milled partially crystallized samples. The crystallization temperatures and activation energies for the crystallization processes of the residual amorphous phase were considerably decreased due to ball milling, indicating that ball milling has a significant effect on the depression of thermal stability of the residual amorphous phase

Ikaite crystals in melting sea ice - implications for pCO2 and pH levels in Arctic surface waters

Science.gov (United States)

Rysgaard, S.; Glud, R. N.; Lennert, K.; Cooper, M.; Halden, N.; Leakey, R. J. G.; Hawthorne, F. C.; Barber, D.

2012-08-01

A major issue of Arctic marine science is to understand whether the Arctic Ocean is, or will be, a source or sink for air-sea CO2 exchange. This has been complicated by the recent discoveries of ikaite (a polymorph of CaCO3·6H2O) in Arctic and Antarctic sea ice, which indicate that multiple chemical transformations occur in sea ice with a possible effect on CO2 and pH conditions in surface waters. Here, we report on biogeochemical conditions, microscopic examinations and x-ray diffraction analysis of single crystals from a melting 1.7 km2 (0.5-1 m thick) drifting ice floe in the Fram Strait during summer. Our findings show that ikaite crystals are present throughout the sea ice but with larger crystals appearing in the upper ice layers. Ikaite crystals placed at elevated temperatures disintegrated into smaller crystallites and dissolved. During our field campaign in late June, melt reduced the ice floe thickness by 0.2 m per week and resulted in an estimated 3.8 ppm decrease of pCO2 in the ocean surface mixed layer. This corresponds to an air-sea CO2 uptake of 10.6 mmol m-2 sea ice d-1 or to 3.3 ton km-2 ice floe week-1. This is markedly higher than the estimated primary production within the ice floe of 0.3-1.3 mmol m-2 sea ice d-1. Finally, the presence of ikaite in sea ice and the dissolution of the mineral during melting of the sea ice and mixing of the melt water into the surface oceanic mixed layer accounted for half of the estimated pCO2 uptake.

Preliminary observations of the effect of solutal convection on crystal morphology

Science.gov (United States)

Broom, M. Beth H.; Witherow, William K.; Snyder, Robert S.; Carter, Daniel C.

1988-01-01

Studies to examine the effect of solutal convection on crystal morphology using sucrose as a model system were initiated. Aspect ratios, defined as the width of the 100-plane-oriented face over the width of the 001-plane-oriented face, were determined for oriented crystals which were grown with either the 001-oriented or the 100-oriented face perpendicular to the convective flow. The dependence of the crystal morphology on orientation is much greater for crystals grown with one face occluded than for crystals grown suspended in solution. Many factors appear to interact in a complex fashion to influence crystal morphology.

Kinetics of barium sulphate reaction crystallization in crystallizers with internal circulation

Directory of Open Access Journals (Sweden)

J. Koralewska

2008-06-01

Full Text Available Kinetic calculation results describing the observed nucleation and growth rates of barium sulphate crystals precipitated in an integrated reaction-crystallization process in a barium sulphate-ammonium chloride-water system are presented and analyzed. The scope of experiments included two continuous model DTM-type crystallizers (Draft Tube Magma with internal circulation of the suspension forced by a liquid jet-pump device responsible for stable and intensive enough ascending/descending flow of BaSO4 crystal magma in a mixing chamber. For comparison purposes the experimental data corresponding to a continuous DT (Draft Tube crystallizer with propeller agitator are presented and discussed. The various types of laboratory crystallizers used were fed with concentrated water solution of barium chloride (of 10 or 24 mass % and - in a stoichiometric proportion - crystalline ammonium sulphate, assuming isothermal (348 K and hydrodynamic (average residence time of suspension in a crystallizer: 900 s process conditions. The observed nucleation and growth rates of barium sulphate crystals were estimated on the basis of crystal size distributions (CSDs using convenient calculation scheme derived for an MSMPR (Mixed Suspension Mixed Product Removal model approach. Considering the experimental population density distribution courses, a size-dependent growth (SDG phenomenon was taken into account in the kinetic calculations. Five SDG kinetic models recommended in the accessible literature were used for kinetic parameter values estimation. It was proved statistically, that Rojkowski’s two SDG models (hyperbolic and exponential best suit for our own experimental data description. The experimental data presented can be practically applied for improving the constructions of liquid jet-pump DTM crystallizers recommended for reaction crystallization of sparingly soluble inorganic salts (especially for high concentrations of reaction substrates in the modern

Polarizability of acetanilide and RDX in the crystal: effect of molecular geometry

Science.gov (United States)

Tsiaousis, D.; Munn, R. W.; Smith, P. J.; Popelier, P. L. A.

2004-10-01

Density-functional theory with the B3LYP functional at the 6-311++G** level is used to calculate the dipole moment and the static polarizability for acetanilide and 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) in their in-crystal structures. For acetanilide the dipole moment is 2{1}/{2}% larger than for the gas-phase structure and for RDX (where there is a gross geometry change) it is 15% larger. The polarizability for the in-crystal structure is smaller than for the gas-phase structure by 3% for both species, whereas the in-crystal effective optical polarizability is larger than the gas-phase static polarizability for both crystals. Hence, effects in addition to the molecular geometry change in the crystal must be considered in order to interpret the effective polarizability completely.

Intracrystalline site preference of hydrogen isotopes in the water of crystallization of copper sulfate pentahydrate

International Nuclear Information System (INIS)

Kita, I.; Matsuo, S.

1981-01-01

Difference in the isotopic partition at different sites of the water of crystallization of CuSO 4 .5H 2 O (the site preference) was estimated for the hydrogen isotopes. Fractional dehydration of CuSO 4 .5H 2 O under vacuum at 0 and 25 0 C was used to determine the isotopic ratio, the amount of dehydrated water, and the rate process of dehydration. The following results were obtained. (1) Two maxima occur in the isotopic ratio in the dehydration range, F < 0.8. (2) The dehydration occurs by the three sequential zeroth-order rate processes which have different rate constants for dehydration. The three different rate constants may be explained by the combination of the rate constants of dehydration of the water molecules dehydrated. The estimation of the difference in hydrogen isotope distribution for different sites, i.e., four of the five water molecules in the coordination sphere of copper ion (site A) and one bonded to the sulfate ion through hydrogen bonding (site B) was made. The site preference of hydrogen isotopes (delta D,%) was concluded to be -3.20 +- 0.52 for site A and +2.26 +- 2.09 for site B, where the delta D value was referred to the isotopic ratio of the mother liquor from which the crystal was formed

Intracrystalline site preference of hydrogen isotopes in the water of crystallization of copper sulfate pentahydrate

Energy Technology Data Exchange (ETDEWEB)

Kita, I.; Matsuo, S.

1981-04-02

Difference in the isotopic partition at different sites of the water of crystallization of CuSO/sub 4/.5H/sub 2/O (the site preference) was estimated for the hydrogen isotopes. Fractional dehydration of CuSO/sub 4/.5H/sub 2/O under vacuum at 0 and 25/sup 0/C was used to determine the isotopic ratio, the amount of dehydrated water, and the rate process of dehydration. The following results were obtained. (1) Two maxima occur in the isotopic ratio in the dehydration range, F < 0.8. (2) The dehydration occurs by the three sequential zeroth-order rate processes which have different rate constants for dehydration. The three different rate constants may be explained by the combination of the rate constants of dehydration of the water molecules dehydrated. The estimation of the difference in hydrogen isotope distribution for different sites, i.e., four of the five water molecules in the coordination sphere of copper ion (site A) and one bonded to the sulfate ion through hydrogen bonding (site B) was made. The site preference of hydrogen isotopes (delta D,%) was concluded to be -3.20 +- 0.52 for site A and +2.26 +- 2.09 for site B, where the delta D value was referred to the isotopic ratio of the mother liquor from which the crystal was formed.

Effects of Degree of Enzymatic Interesterification on the Physical Properties of Margarine Fats: Solid Fat Content, Crystallization Behavior, Crystal Morphology, and Crystal Network

DEFF Research Database (Denmark)

Zhang, Hong; Smith, Paul; Adler-Nissen, Jens

2004-01-01

In this study enzymatic-interesterified margarine fats with different conversion degrees were produced in a packed-bed reactor. The effects of conversion degree on the formation of free fatty acids and diacyglycerols, solid fat content, crystallization behavior, microstructure, and crystal network...... °C with increasing conversion degree. Increased conversion degree from the blend to products, measured by X-ray with addition of 50% of rapeseed oil for dilution, caused the content of â to decrease from 100% to 33%, and 30% and eventually to pure ⢠crystal. However, double chain packing...

Microbiologically influenced corrosion in condenser water boxes at Crystal River-3

International Nuclear Information System (INIS)

Hayner, G.O.; Pope, D.H.; Crane, B.E.

1988-01-01

During the spring of 1986, several welds in the lower half of the condenser inlet water boxes at Crystal River-3 (CR-3) were found to be seeping seawater. The leakage produced red-brown and black-green colored deposits on the outside surface of the water boxes. The welds in affected areas were not uniformly attacked, and the severity of attack varied between water boxes; however, there were instances of attack on each type of pressure-retaining weld in the affected regions. Weld seepage was also seen on the outside of the inlet piping to the water boxes. A few small pin holes were seen in the base metal of the water boxes not associated with welds. In this paper the authors report the results of examinations performed at both the CR-3 site and at The Babcock and Wilcox Company Lynchburt Research Center (LRC). The inside of a water box and the exterior of the condenser inlet piping were visually inspected at the Cr-3 site. Nodules inside the water box were probed and examined. Parts of nodules were collected and microscopically examined for bacteria. Two corrosion-deposit samples removed from condenser instrument piping and the condenser inlet piping were chemically analyzed at the LRC. Four pipe samples removed from the condenser instrument piping were destructively examined at the LRC. This work included visual inspection, metallographic, scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS) examinations performed on selected locations of the piping samples

Effects of thermo-order-mechanical coupling on band structures in liquid crystal nematic elastomer porous phononic crystals.

Science.gov (United States)

Yang, Shuai; Liu, Ying

2018-08-01

Liquid crystal nematic elastomers are one kind of smart anisotropic and viscoelastic solids simultaneously combing the properties of rubber and liquid crystals, which is thermal sensitivity. In this paper, the wave dispersion in a liquid crystal nematic elastomer porous phononic crystal subjected to an external thermal stimulus is theoretically investigated. Firstly, an energy function is proposed to determine thermo-induced deformation in NE periodic structures. Based on this function, thermo-induced band variation in liquid crystal nematic elastomer porous phononic crystals is investigated in detail. The results show that when liquid crystal elastomer changes from nematic state to isotropic state due to the variation of the temperature, the absolute band gaps at different bands are opened or closed. There exists a threshold temperature above which the absolute band gaps are opened or closed. Larger porosity benefits the opening of the absolute band gaps. The deviation of director from the structural symmetry axis is advantageous for the absolute band gap opening in nematic state whist constrains the absolute band gap opening in isotropic state. The combination effect of temperature and director orientation provides an added degree of freedom in the intelligent tuning of the absolute band gaps in phononic crystals. Copyright © 2018 Elsevier B.V. All rights reserved.

Effect of solvent and temperature on solution-crystallized terfenadine

International Nuclear Information System (INIS)

Leitao, M. Luisa P.; Canotilho, Joao; Ferreira, Simone C.R.; Sousa, Adriano T.; Simoes Redinha, J.

2004-01-01

The aim of this work was to understand the crystallization process of terfenadine in solution. Cooling of saturated solutions prepared at 50 deg. C at different temperatures, evaporating the solvent from nearly saturated solutions at a certain temperature, and exposing ethanol solutions of terfenadine to water vapour atmosphere were the techniques used for obtaining terfenadine specimens. The characterization of these specimens was carried out by thermal microscopy, differential thermal analysis, thermogravimetry and powder X-ray diffraction. Crystalline phases, amorphous solids, and solvates were identified. For the solvents used in the present study, the crystallinity degree of terfenadine decreases from ethanol-water to ethanol and from this to methanol. Decreasing the temperature promotes the formation of amorphous solid material; at low temperatures, methanol and ethanol solvates are also formed. Desolvation, following the terfenadine aggregation process in solution accounts for the different behaviour found for the solvents and for the effect of temperature on the structure. The role of the solvent as structure-mediator is explained on the grounds of the values previously published for the enthalpy of solution of terfenadine in the solvents under study

Crystal growth and characterization of new semiorganic nonlinear optical single crystals

Energy Technology Data Exchange (ETDEWEB)

Kulshrestha, Shobha, E-mail: shobha011986@gmail.com; Shrivastava, A. K., E-mail: ashwaniaks@rediffmail.com [School of Studies in Physics, Jiwaji University Gwalior (M.P.) – 474 011 (India)

2016-05-06

An organic material of a L-histidine monohydrochloride single crystal was grown in a distilled water solution using the slow evaporation method at 40–45°C. The grown crystal was transparent and colourless, with a size of about 20 × 9 × 5 mm{sup 3}, obtained within a period of 21 days. The solubility of grown crystals have found out at various temperatures. The UV-visible transmittance studies show that the grown crystals have wide optical transparency in the entire visible region It is observed that the crystal has transparency window from 255nm to 700nm and its energy gap (Eg) found to be is 3.1eV. The grown crystal was subjected to powder X-ray diffraction analysis, confirming that the orthorhombic crystalline nature of the crystal. To identify the surface morphology, the as grown crystal was subjected to FE-SEM technique. The chemical composition of the grown crystal was estimated by Energy dispersive X-ray analysis. The optical behaviour of the grown crystal was analyzed by PL study.

Prophylactic effect of coconut water (Cocos nucifera L.) on ethylene glycol induced nephrocalcinosis in male wistar rat.

Science.gov (United States)

Gandhi, M; Aggarwal, M; Puri, S; Singla, S K

2013-01-01

Many medicinal plants have been employed during ages to treat urinary stones though the rationale behind their use is not well established. Thus, the present study was proposed to evaluate the effect of coconut water as a prophylactic agent in experimentally induced nephrolithiasis in a rat model. The male Wistar rats were divided randomly into three groups. Animals of group I (control) were fed standard rat diet. In group II, the animals were administrated 0.75% ethylene glycol in drinking water for the induction of nephrolithiasis. Group III animals were administrated coconut water in addition to ethylene glycol. All the treatments were continued for a total duration of seven weeks. Treatment with coconut water inhibited crystal deposition in renal tissue as well as reduced the number of crystals in urine. Furthermore, coconut water also protected against impaired renal function and development of oxidative stress in the kidneys. The results indicate that coconut water could be a potential candidate for phytotherapy against urolithiasis.

Ikaite crystals in melting sea ice – implications for pCO2 and pH levels in Arctic surface waters

Directory of Open Access Journals (Sweden)

R. J. G. Leakey

2012-08-01

Full Text Available A major issue of Arctic marine science is to understand whether the Arctic Ocean is, or will be, a source or sink for air–sea CO2 exchange. This has been complicated by the recent discoveries of ikaite (a polymorph of CaCO3·6H2O in Arctic and Antarctic sea ice, which indicate that multiple chemical transformations occur in sea ice with a possible effect on CO2 and pH conditions in surface waters. Here, we report on biogeochemical conditions, microscopic examinations and x-ray diffraction analysis of single crystals from a melting 1.7 km2 (0.5–1 m thick drifting ice floe in the Fram Strait during summer. Our findings show that ikaite crystals are present throughout the sea ice but with larger crystals appearing in the upper ice layers. Ikaite crystals placed at elevated temperatures disintegrated into smaller crystallites and dissolved. During our field campaign in late June, melt reduced the ice floe thickness by 0.2 m per week and resulted in an estimated 3.8 ppm decrease of pCO2 in the ocean surface mixed layer. This corresponds to an air–sea CO2 uptake of 10.6 mmol m−2 sea ice d−1 or to 3.3 ton km−2 ice floe week−1. This is markedly higher than the estimated primary production within the ice floe of 0.3–1.3 mmol m−2 sea ice d−1. Finally, the presence of ikaite in sea ice and the dissolution of the mineral during melting of the sea ice and mixing of the melt water into the surface oceanic mixed layer accounted for half of the estimated pCO2 uptake.

Large Electro-Optic Kerr-Effect in Ionic Liquid Crystals: Connecting Features of Liquid Crystals and Polyelectrolytes.

Science.gov (United States)

Schlick, Michael Christian; Kapernaum, Nadia; Neidhardt, Manuel; Wöhrle, Tobias; Stöckl, Yannick; Laschat, Sabine; Gießelmann, Frank

2018-06-06

The electro-optic Kerr effect in the isotropic phase of two ionic liquid crystals (ILCs) is investigated and compared to the Kerr effect in non-ionic liquid crystals (LCs) with same phase sequences, namely direct isotropic to hexagonal columnar transitions and direct isotropic to smectic-A transitions. Up to electric field amplitudes of some 106 V m-1, the optical birefringence induced in the isotropic phases follows Kerr's law and strongly increases when the temperature approaches the transition temperature into the particular liquid crystalline phase. Close to the transition, maximum Kerr constants in the order of 10-11 m V-2 are found, which are more than ten times higher than the Kerr constant of nitrobenzene, a strongly dipolar fluid with a huge Kerr effect applied in optical shutters and phase modulators. In comparison to their non-ionic LC counterparts the Kerr effect in ILCs is found to be enhanced in magnitude, but slowed-down in speed, showing rise times in the order of ten milliseconds. These remarkable differences are attributed to the presence of counterion polarization well-known from complex ionic fluids such as polyelectrolytes or ionic micellar solutions. ILCs thus combine the Kerr effect features of liquid crystals and complex ionic fluids. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Correlation theory of crystal field and anisotropic exchange effects

DEFF Research Database (Denmark)

Lindgård, Per-Anker

1985-01-01

A general theory for including correlation effects in static and dynamic properties is presented in terms of Raccah or Stevens operators. It is explicitly developed for general crystal fields and anisotropic interactions and systems with several sublattices, like the rare earth compounds....... The theory gives explicitly a temperature dependent renormalization of both the crystal field and the interactions, and a damping of the excitations and in addition a central park component. The general theory is illustrated by a discussion of the singlet-doublet system. The correlation effects...

Effects of growth conditions on thermal profiles during Czochralski silicon crystal growth

Science.gov (United States)

Choe, Kwang Su; Stefani, Jerry A.; Dettling, Theodore B.; Tien, John K.; Wallace, John P.

1991-01-01

An eddy current testing method was used to continuously monitor crystal growth process and investigate the effects of growth conditions on thermal profiles during Czochralski silicon crystal growth. The experimental concept was to monitor the intrinsic electrical conductivities of the growing crystal and deduce temperature values from them. In terms of the experiments, the effects of changes in growth parameters, which include the crystal and crucible rotation rates, crucible position, and pull rate, and hot-zone geometries were investigated. The results show that the crystal thermal profile could shift significantly as a function of crystal length if the closed-loop control fails to maintain a constant thermal condition. As a direct evidence to the effects of the melt flow on heat transfer processes, a thermal gradient minimum was observed when the crystal/crucible rotation combination was 20/-10 rpm cw. The thermal gradients in the crystal near the growth interface were reduced most by decreasing the pull rate or by reducing the radiant heat loss to the environment; a nearly constant axial thermal gradient was achieved when either the pull rate was decreased by half, the height of the exposed crucible wall was doubled, or a radiation shield was placed around the crystal. Under these conditions, the average axial thermal gradient along the surface of the crystal was about 4-5°C/mm. When compared to theoretical results found in literature, the axial profiles correlated well with the results of the models which included radiant interactions. However, the radial gradients estimated from three-frequency data were much higher than what were predicted by known theoretical models. This discrepancy seems to indicate that optical phenomenon within the crystal is significant and should be included in theoretical modeling.

The Effect of Radiation "Memory" in Alkali-Halide Crystals

Science.gov (United States)

Korovkin, M. V.; Sal'nikov, V. N.

2017-01-01

The exposure of the alkali-halide crystals to ionizing radiation leads to the destruction of their structure, the emergence of radiation defects, and the formation of the electron and hole color centers. Destruction of the color centers upon heating is accompanied by the crystal bleaching, luminescence, and radio-frequency electromagnetic emission (REME). After complete thermal bleaching of the crystal, radiation defects are not completely annealed, as the electrons and holes released from the color centers by heating leave charged and locally uncompensated defects. Clusters of these "pre centers" lead to electric microheterogeneity of the crystal, the formation of a quasi-electret state, and the emergence of micro-discharges accompanied by radio emission. The generation of REME associated with residual defectiveness, is a manifestation of the effect of radiation "memory" in dielectrics.

Effect of process parameters on crystal size and morphology of lactose in ultrasound-assisted crystallization

Energy Technology Data Exchange (ETDEWEB)

Patel, S.R.; Murthy, Z.V.P. [Chemical Engineering Department, S.V. National Institute of Technology, Surat - 395 007, Gujarat (India)

2011-03-15

{alpha}-lactose monohydrate is widely used as a pharmaceutical excipient. Drug delivery system requires the excipient to be of narrow particle size distribution with regular particle shape. Application of ultrasound is known to increase or decrease the growth rate of certain crystal faces and controls the crystal size distribution. In the present paper, effect of process parameters such as sonication time, anti-solvent concentration, initial lactose concentration and initial pH of sample on lactose crystal size, shape and thermal transition temperature was studied. The parameters were set according to the L{sub 9}-orthogonal array method at three levels and recovered lactose from whey by sonocrystallization. The recovered lactose was analyzed by particle size analyzer, scanning electron microscopy and differential scanning calorimeter. It was found that the morphology of lactose crystal was rod/needle like shape. Crystal size distribution of lactose was observed to be influenced by different process parameters. From the results of analysis of variance, the sonication time interval was found to be the most significant parameter affecting the volume median diameter of lactose with the highest percentage contribution (74.28%) among other parameters. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Effects of ionizing radiation on struvite crystallization of livestock wastewater

International Nuclear Information System (INIS)

Kim, Tak- Hyun; Nam, Yun-Ku; Joo Lim, Seung

2014-01-01

Livestock wastewater is generally very difficult to be treated by conventional wastewater treatment techniques because it contains high-strength organics (COD), ammonium (NH 4 + ), phosphate (PO 4 3− ) and suspended solids. Struvite crystallization has been recently studied for the simultaneous removal of NH 4 + and PO 4 3− . In this study, gamma ray irradiation was carried out prior to struvite crystallization of the anaerobically digested livestock wastewater. The effects of gamma ray irradiation on the struvite crystallization of livestock wastewater were investigated. As a result, gamma ray irradiation can decrease the concentration of COD, NH 4 + and PO 4 3− contained in the livestock wastewater. This results in not only an enhancement of the struvite crystallization efficiency but also a decrease in the chemical demands for the struvite crystallization of livestock wastewater. - Highlights: • Gamma ray was applied prior to struvite crystallization of livestock wastewater. • Gamma ray resulted in an enhancement of struvite crystallization efficiency. • This is due to the decrease of COD concentration by gamma ray irradiation

Effect of crystal habits on the surface energy and cohesion of crystalline powders.

Science.gov (United States)

Shah, Umang V; Olusanmi, Dolapo; Narang, Ajit S; Hussain, Munir A; Gamble, John F; Tobyn, Michael J; Heng, Jerry Y Y

2014-09-10

The role of surface properties, influenced by particle processing, in particle-particle interactions (powder cohesion) is investigated in this study. Wetting behaviour of mefenamic acid was found to be anisotropic by sessile drop contact angle measurements on macroscopic (>1cm) single crystals, with variations in contact angle of water from 56.3° to 92.0°. This is attributed to variations in surface chemical functionality at specific facets, and confirmed using X-ray photoelectron spectroscopy (XPS). Using a finite dilution inverse gas chromatography (FD-IGC) approach, the surface energy heterogeneity of powders was determined. The surface energy profile of different mefenamic acid crystal habits was directly related to the relative exposure of different crystal facets. Cohesion, determined by a uniaxial compression test, was also found to relate to surface energy of the powders. By employing a surface modification (silanisation) approach, the contribution from crystal shape from surface area and surface energy was decoupled. By "normalising" contribution from surface energy and surface area, needle shaped crystals were found to be ∼2.5× more cohesive compared to elongated plates or hexagonal cuboid shapes crystals. Copyright © 2014. Published by Elsevier B.V.

Quantum effects for particles channeling in a bent crystal

Energy Technology Data Exchange (ETDEWEB)

Feranchuk, Ilya, E-mail: iferanchuk@gmail.com [Atomic Molecular and Optical Physics Research Group, Ton Duc Thang University, 19 Nguyen Huu Tho Str., Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Faculty of Applied Sciences, Ton Duc Thang University, 19 Nguyen Huu Tho Str., Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Belarusian State University, 4 Nezavisimosty Ave., 220030 Minsk (Belarus); San, Nguyen Quang [Belarusian State University, 4 Nezavisimosty Ave., 220030 Minsk (Belarus)

2016-09-15

Quantum mechanical theory for channeling of the relativistic charged particles in the bent crystals is considered in the paper. Quantum effects of under-barrier tunneling are essential when the radius of the curvature is closed to its critical value. In this case the wave functions of the quasi-stationary states corresponding to the particles captured in a channel are presented in the analytical form. The efficiency of channeling of the particles and their angular distribution at the exit crystal surface are calculated. Characteristic experimental parameters for observation the quantum effects are estimated.

Effects of the auto irradiation in KBr:Eu2+ crystals

International Nuclear Information System (INIS)

Perez S, R.; Aceves, R.

2002-01-01

In KCl :Eu 2+ crystals and in KBr :Eu 2+ crystals it has been detected the effect of the auto irradiation with 40 K isotope. In this work, a study of auto irradiation thermoluminescence in KBr :Eu 2+ crystals with different Eu 2+ concentrations and different thermal treatments is presented. The form of the Tl curve shows mainly a sparkle at 110 Centigrade degrees. The sparkle intensity increases linearly in a time interval around 3600 sec. After this time the increase of intensity was slower. In the linear interval, the lukewarm effects are almost scornful. The analysis of results is looked to the relation between the thermoluminescence and the Eu 2+ additions. It is discussed the form of the curve comparing it with the Tl induced by external irradiation sources on this type of materials. Also it is discussed the temporary dependence of the quantity of induced defects. Finally, the Tl intensity results for crystals with and without previous luke warms are compared. (Author)

Effects of low molecular weight organic acids on the immobilization of aqueous Pb(II) using phosphate rock and different crystallized hydroxyapatite.

Science.gov (United States)

Wei, Wei; Cui, Jing; Wei, Zhenggui

2014-06-01

Understanding the effects of low molecular weight organic acids (LMWOAs) on the transformation of Pb(II) to geochemically stable pyromorphite (PY) by apatite materials (AMs), has considerable benefits for risk assessment and remediation strategies for contaminated water and soil. In this study, we systematically investigated the immobilization of Pb(II) from aqueous solution by natural phosphate rock (PR) and different crystallized hydroxyapatite (HAp) in the absence and presence of LMWOAs (oxalic, malic and citric acids). The results indicated that the effectiveness of PR and HAp in immobilizing Pb(II) followed in descending order by HAp2 (the poorly crystallized HAp), HAp1 (the well crystallized HAp) and PR, regardlessof the presence of LMWOAs. The presence of malic and citric acids significantly decreased the immobilizationefficiency of Pb(II) by HAp1 and PR, clarifying the lower adsorption affinities of Pb(II)-organic acid complexes on HAp1 and PR rather than Pb(II) ion. On thecontrary, oxalic acid could markedly enhance the removal of Pb(II) from aqueous solution by HAp1 and PR through the formation of lead oxalate, which was confirmed by FT-IR and XRDanalysis. Results also showed that LMWOAs had little promoting or inhibiting effect on the immobilization of Pb(II) by HAp2. This study suggested that the ubiquity of LMWOAs in natural environments could retard the transformation efficiency of Pb(II) to PY by AMs, especiallyin thepresenceof oxalic acid, and the poorly crystallized HAp2 had great potential to remediate Pb(II)-contaminated water and soil due to its insusceptibility to LMWOAs. Copyright © 2013 Elsevier Ltd. All rights reserved.

Enhanced thermal lens effect in gold nanoparticle-doped Lyotropic liquid crystal by nanoparticle clustering probed by Z-scan technique

International Nuclear Information System (INIS)

Gomez, S.L.; Lenart, V.M.

2015-01-01

This work presents an experimental study of the thermal lens effect in Au nanoparticles-doped lyotropic liquid crystals under cw 532 nm optical excitation. Spherical Au nanoparticles of about 12 nm were prepared by Turkevich’s method, and the lyotropic liquid crystal was a ternary mixture of SDS, 1-DeOH, and water that exhibits an isotropic phase at room temperature. The lyotropic matrix induces aggregation of the nanoparticles, leading to a broad and a red-shifted surface plasmon resonance. The thermal nonlinear optical refraction coefficient n 2 increases as a power of number density of nanoparticles, being possible to address this behavior to nanoparticle clustering. (author)

Enhanced thermal lens effect in gold nanoparticle-doped Lyotropic liquid crystal by nanoparticle clustering probed by Z-scan technique

Energy Technology Data Exchange (ETDEWEB)

Gomez, S.L.; Lenart, V.M., E-mail: sgomez@uepg.br [Universidade Estadual de Ponta Grossa (UEPG), PR (Brazil). Dept. de Fisica; Turchiello, R.T. [Universidade Federal Tecnologica do Parana (UFTPR), Ponta Grossa, PR (Brazil). Dept. de Fisica; Goya, G.F. [Department of Condensed Matter Physics, Aragon Institute of Nanoscience, Zaragoza (Spain)

2015-10-01

This work presents an experimental study of the thermal lens effect in Au nanoparticles-doped lyotropic liquid crystals under cw 532 nm optical excitation. Spherical Au nanoparticles of about 12 nm were prepared by Turkevich’s method, and the lyotropic liquid crystal was a ternary mixture of SDS, 1-DeOH, and water that exhibits an isotropic phase at room temperature. The lyotropic matrix induces aggregation of the nanoparticles, leading to a broad and a red-shifted surface plasmon resonance. The thermal nonlinear optical refraction coefficient n{sub 2} increases as a power of number density of nanoparticles, being possible to address this behavior to nanoparticle clustering. (author)

Solubility limit of methyl red and methylene blue in microemulsions and liquid crystals of water, sds and pentanol systems

OpenAIRE

Beri, D.; Pratami, A.; Gobah, P. L.; Dwimala, P.; Amran, A.

2017-01-01

Solubility of dyes in amphiphilic association structures of water, SDS and penthanol system (i.e. in the phases of microemulsions and liquid crystals) was attracted much interest due to its wide industrial and technological applications. This research was focused on understanding the solubility limitation of methyl red and methylene blue in microemulsion and liquid crystal phases. Experimental results showed that the highest solubility of methyl red was in LLC, followed by w/o microemulsion a...

A Cannibalistic Approach to Grand Canonical Crystal Growth.

Science.gov (United States)

Karmakar, Tarak; Piaggi, Pablo M; Perego, Claudio; Parrinello, Michele

2018-04-04

Canonical molecular dynamics simulations of crystal growth from solution suffer from severe finite-size effects. As the crystal grows, the solute molecules are drawn from the solution to the crystal, leading to a continuous drop in the solution concentration. This is in contrast to experiments in which the crystal grows at an approximately constant supersaturation of a bulk solution. Recently, Perego et al. [ J. Chem. Phys. 2015, 142, 144113] showed that in a periodic setup in which the crystal is represented as a slab, the concentration in the vicinity of the two surfaces can be kept constant while the molecules are drawn from a part of the solution that acts as a molecular reservoir. This method is quite effective in studying crystallization under controlled supersaturation conditions. However, once the reservoir is depleted, the constant supersaturation conditions cannot be maintained. We propose a variant of this method to tackle this depletion problem by simultaneously dissolving one side of the crystal while letting the other side grow. A continuous supply of particles to the solution due to the crystal dissolution maintains a steady solution concentration and avoids reservoir depletion. In this way, a constant supersaturation condition can be maintained for as long as necessary. We have applied this method to study the growth and dissolution of urea crystal from water solution under constant supersaturation and undersaturation conditions, respectively. The computed growth and dissolution rates are in good agreement with those obtained in previous studies.

In-Line Measurement of Water Contents in Ethanol Using a Zeolite-Coated Quartz Crystal Microbalance

Directory of Open Access Journals (Sweden)

Byoung Chul Kim

2015-10-01

Full Text Available A quartz crystal microbalance (QCM was utilized to measure the water content in ethanol. For the improvement of measurement sensitivity, the QCM was modified by applying zeolite particles on the surface with poly(methyl methacrylate (PMMA binder. The measurement performance was examined with ethanol of 1% to 5% water content in circulation. The experimental results showed that the frequency drop of the QCM was related with the water content though there was some deviation. The sensitivity of the zeolite-coated QCM was sufficient to be implemented in water content determination, and a higher ratio of silicon to aluminum in the molecular structure of the zeolite gave better performance. The coated surface was inspected by microscopy to show the distribution of zeolite particles and PMMA spread.

Improved reproducibility of unit-cell parameters in macromolecular cryocrystallography by limiting dehydration during crystal mounting.

Science.gov (United States)

Farley, Christopher; Burks, Geoffry; Siegert, Thomas; Juers, Douglas H

2014-08-01

In macromolecular cryocrystallography unit-cell parameters can have low reproducibility, limiting the effectiveness of combining data sets from multiple crystals and inhibiting the development of defined repeatable cooling protocols. Here, potential sources of unit-cell variation are investigated and crystal dehydration during loop-mounting is found to be an important factor. The amount of water lost by the unit cell depends on the crystal size, the loop size, the ambient relative humidity and the transfer distance to the cooling medium. To limit water loss during crystal mounting, a threefold strategy has been implemented. Firstly, crystal manipulations are performed in a humid environment similar to the humidity of the crystal-growth or soaking solution. Secondly, the looped crystal is transferred to a vial containing a small amount of the crystal soaking solution. Upon loop transfer, the vial is sealed, which allows transport of the crystal at its equilibrated humidity. Thirdly, the crystal loop is directly mounted from the vial into the cold gas stream. This strategy minimizes the exposure of the crystal to relatively low humidity ambient air, improves the reproducibility of low-temperature unit-cell parameters and offers some new approaches to crystal handling and cryoprotection.

Kinetics of Crystallization in Polydisperse Emulsions.

Science.gov (United States)

Kashchiev; Kaneko; Sato

1998-12-01

The kinetics of isothermal crystallization of the droplets in polydisperse emulsions are analyzed under the condition that each emulsion droplet gives birth to one nucleus only. Expressions are derived for the time dependences of the number of crystallized droplets and the fraction of crystallized droplet volume in the cases of either volume or surface nucleation of the crystals in the droplets. The time for half-crystallization is determined as a function of the emulsion polydispersity, and it is found that the more polydisperse the emulsion, the shorter this time in comparison with that for the corresponding monodisperse emulsion. Formulae are also obtained for the change of the velocity Kv of propagation of ultrasound through polydisperse emulsions during the time t of isothermal crystallization of the droplets in them. Good agreement is found between theory and experiment in an analysis of available Kv(t) data for crystallization in polydisperse palm oil-in-water and n-hexadecane-in-water emulsions. The results obtained are directly applicable to devitrification and polymorphic transformation of disperse solid phases. Copyright 1998 Academic Press.

Effect of Crystal Orientation on Fatigue Failure of Single Crystal Nickel Base Turbine Blade Superalloys

Science.gov (United States)

Arakere, Nagaraj K.; Swanson, Gregory R.

2000-01-01

High Cycle Fatigue (HCF) induced failures in aircraft gas-turbine engines is a pervasive problem affecting a wide range of components and materials. HCF is currently the primary cause of component failures in gas turbine aircraft engines. Turbine blades in high performance aircraft and rocket engines are increasingly being made of single crystal nickel superalloys. Single-crystal Nickel-base superalloys were developed to provide superior creep, stress rupture, melt resistance and thermomechanical fatigue capabilities over polycrystalline alloys previously used in the production of turbine blades and vanes. Currently the most widely used single crystal turbine blade superalloys are PWA 1480/1493 and PWA 1484. These alloys play an important role in commercial, military and space propulsion systems. PWA1493, identical to PWA1480, but with tighter chemical constituent control, is used in the NASA SSME (Space Shuttle Main Engine) alternate turbopump, a liquid hydrogen fueled rocket engine. Objectives for this paper are motivated by the need for developing failure criteria and fatigue life evaluation procedures for high temperature single crystal components, using available fatigue data and finite element modeling of turbine blades. Using the FE (finite element) stress analysis results and the fatigue life relations developed, the effect of variation of primary and secondary crystal orientations on life is determined, at critical blade locations. The most advantageous crystal orientation for a given blade design is determined. Results presented demonstrates that control of secondary and primary crystallographic orientation has the potential to optimize blade design by increasing its resistance to fatigue crack growth without adding additional weight or cost.

Recycling acetic acid from polarizing film of waste liquid crystal display panels by sub/supercritical water treatments.

Science.gov (United States)

Wang, Ruixue; Chen, Ya; Xu, Zhenming

2015-05-19

Waste liquid crystal display (LCD) panels mainly contain inorganic materials (glass substrate) and organic materials (polarizing film and liquid crystal). The organic materials should be removed first since containing polarizing film and liquid crystal is to the disadvantage of the indium recycling process. In the present study, an efficient and environmentally friendly process to obtain acetic acid from waste LCD panels by sub/supercritical water treatments is investigated. Furthermore, a well-founded reaction mechanism is proposed. Several highlights of this study are summarized as follows: (i) 99.77% of organic matters are removed, which means the present technology is quite efficient to recycle the organic matters; (ii) a yield of 78.23% acetic acid, a quite important fossil energy based chemical product is obtained, which can reduce the consumption of fossil energy for producing acetic acid; (iii) supercritical water acts as an ideal solvent, a requisite reactant as well as an efficient acid-base catalyst, and this is quite significant in accordance with the "Principles of Green Chemistry". In a word, the organic matters of waste LCD panels are recycled without environmental pollution. Meanwhile, this study provides new opportunities for alternating fossil-based chemical products for sustainable development, converting "waste" into "fossil-based chemicals".

Organic Matter in Extraterrestrial Water-Bearing Salt Crystals

Science.gov (United States)

Chan, Q. H. S.; Zolensky, M. E.; Kebukwa, Y.; Fries, M.; Steele, A.

2017-01-01

Introduction: Direct samples of early Solar System fluids are present in two thermally-metamorphosed ordinary chondrite regolith breccias (Monahans (1998) [H5] and Zag [H3-6]), which were found to contain brine-bearing halite (NaCl) crystals that have been added to the regolith of an S-type asteroid following asteroidal metamorphism [1, 2]. The brine-bearing halite grains were proposed to be formed on an icy C-type asteroids (possibly Ceres), and transferred to an S-type asteroid via cryovolcanic event(s) [3]. A unique aspect of these halites is that they contain abundant organic rich solid inclusions hosted within the halites alongside the water inclusions. Methods: We analyzed in detail the compositions of the organic solids and the amino acid content of the halite crystals with two-step laser desorption/laser ionization mass spectrometry (L(sup 2) MS), Raman spectroscopy, X-ray absorption near edge structure (XANES), nanoscale secondary ion mass spectrometry (NanoSIMS), and ultra-performance liquid chromatography fluorescence detection and quadrupole time of flight hybrid mass spectrometry (UPLC-FD/QToF-MS). Results and Discussion: The L(sup 2) MS results show signatures of low-mass polyaromatic hydro-carbons (PAHs) indicated by sequences of peaks separated by 14 atomic mass units (amu) due to successive addition of methylene (CH2) groups to the PAH skeletons [4]. Raman spectra of the micron-sized solid inclusions of the halites indicate the presence of abundant and highly variable organic matter that include a mixture of short-chain aliphatic compounds and macromolecular carbon. C-XANES analysis identified C-rich areas with peaks at 285.0 eV (aromatic C=C) and 286.6 eV (vinyl-keto C=O). However, there is no 1s-sigma* exciton peak (291.7 eV) that is indicative of the development of graphene structure [5], which suggests the organics were synthesized cold. Na-noSIMS analyses show C-rich and N-rich areas that exhibit similar isotopic values with that of the IOM in

Intracrystalline oxygen isotope effects in CuSO4.5H2O and their dependence on crystallization temperature

International Nuclear Information System (INIS)

Heinzinger, K.

1976-01-01

In copper sulphate pentahydrate the water molecules occupy three different sites, connected with different oxygen isotope ratios. Results of measurements of the change of these isotope ratios with crystallization temperature are reported. The temperature dependence found here provides the basis for the determination of crystallization temperatures of hydrated crystals from such intracrystalline oxygen isotope fractionation. Suppositions necessary for the application of this method are discussed. (author)

Magnetoplastic effect in irradiated NaCl and LiF crystals

International Nuclear Information System (INIS)

Al'shitz, V.I.; Darinskaya, E.V.; Kazakova, O.L.

1997-01-01

The effect of low x-ray irradiation doses (≅10 2 rad) on the magnetoplastic effect - the detachment of dislocations from paramagnetic centers under the action of an external magnetic field B - in alkali-halide crystals has been investigated. The measurements were performed on LiF crystals and three types of NaCl crystals, differing in impurity content. The dependence of the mean free path l of the dislocations on the rotational frequency ν of a sample in a magnetic field was especially sensitive to low irradiation doses. In unirradiated crystals this dependence is a single-step dependence and is characterized by a critical frequency ν c ∝B 2 above which the magnetoplastic effect is not observed. The frequency ν c depends only on the type of paramagnetic centers, and not on their density. Even the lowest irradiation dose employed ( c2 , that is insensitive to the irradiation dose, and that corresponds to the appearance of magnetically sensitive stoppers of a new type under irradiation. The initial critical frequency ν c1 , as a rule, also varies with the dose, reflecting the change in state of the impurity complexes (Ca in NaCl and Mg in LiF). Specifically, it is shown for NaCl(Ca) crystals that as the irradiation dose increases, the frequency ν c1 increases, gradually approaching the value ν c2 , so that by the time the dose is ≅300 rad, the dependence l(ν) once again becomes a single-step dependence, dropping sharply only for ν≥ν c2 . It is shown that the addition of a small number of Ni atoms to a NaCl crystal makes the Ca complexes radiation resistant, and the critical frequency ν c1 corresponding to them initially equals ν c2 for crystals with no Ni. The recombination kinetics of radiation defects in the case in which the samples are irradiated under a tungsten lamp was investigated. A possible physical model of the observed dependences is discussed

The effect of rotational viscosity on the memory effect in ferroelectric liquid crystal

International Nuclear Information System (INIS)

Kaur, S.; Thakur, A.K.; Chauhan, R.; Bawa, S.S.; Biradar, A.M.

2004-01-01

Memory effect in deformed helix ferroelectric liquid crystal (DHFLC) is not a new phenomenon. Although it was reported 12 years ago yet its exact physical behavior is not explained. It has been thought by various researchers all over the world that it might be a transient memory effect. In the present study, it has been observed and predicted that memory effect is of long duration and shows remarkable dependencies on the voltage and frequency of the driving electrical pulse, which is entirely different from the memory effect in surface-stabilized ferroelectric liquid crystal (SSFLC). The memory effect in SSFLC is primarily due to surface effect but in DHFLC, its ultra-short pitch plays a dominant role. So, it has been observed that the memory effect in DHFLC is due to its high viscosity and inter/intra layer dipolar interactions

Prophylactic effect of coconut water (Cocos nucifera L. on ethylene glycol induced nephrocalcinosis in male wistar rat

Directory of Open Access Journals (Sweden)

M. Gandhi

2013-01-01

Full Text Available Purpose Many medicinal plants have been employed during ages to treat urinary stones though the rationale behind their use is not well established. Thus, the present study was proposed to evaluate the effect of coconut water as a prophylactic agent in experimentally induced nephrolithiasis in a rat model. Materials and Methods The male Wistar rats were divided randomly into three groups. Animals of group I (control were fed standard rat diet. In group II, the animals were administrated 0.75% ethylene glycol in drinking water for the induction of nephrolithiasis. Group III animals were administrated coconut water in addition to ethylene glycol. All the treatments were continued for a total duration of seven weeks. Results and Conclusion Treatment with coconut water inhibited crystal deposition in renal tissue as well as reduced the number of crystals in urine. Furthermore, coconut water also protected against impaired renal function and development of oxidative stress in the kidneys. The results indicate that coconut water could be a potential candidate for phytotherapy against urolithiasis.

The effect of crystal size on tunneling phenomena in luminescent nanodosimetric materials

Science.gov (United States)

Pagonis, Vasilis; Bernier, Shannon; Vieira, Francisco Marques dos Santos; Steele, Shane

2017-12-01

The study of luminescence signals from nanodosimetric materials is an active research area, due to the many possible practical applications of such materials. In several of these materials it has been shown that quantum tunneling is a dominant mechanism for recombination processes associated with luminescence phenomena. This paper examines the effect of crystal size on quantum tunneling phenomena in nanocrystals, based on the assumption of a random distribution of electrons and positive ions. The behavior of such random distributions is determined by three characteristic lengths: the radius of the crystal R, the tunneling length a, and the initial average distance 〈d〉 between electrons and positive ions (which is directly related to the density of charges in the material). Two different cases are examined, depending on the relative concentrations of electrons and ions. In the first case the concentration of electrons is assumed to be much smaller than the concentration of positive ions. Examination of a previously derived analytical equation demonstrates two different types of crystal size effects. When the tunneling length a is much smaller than both R and 〈d〉, the analytical equations show that smaller crystals exhibit a faster tunneling recombination rate. However, when the tunneling length a is of the same order of magnitude as both R and 〈d〉, the opposite effect is observed, with smaller crystals exhibiting a slower tunneling recombination rate. As the crystal size increases, the rate of tunneling in both cases reaches the limit expected for bulk materials. In the second case we examine the situation where the concentrations of electrons and positive ions are equal at all times. In this situation there is no analytical equation available to describe the process, and the crystal size effects are simulated by using Monte Carlo (MC) techniques. The two opposite behaviors as a function of the crystal size are also observed in these MC simulations. The

Strain gradient crystal plasticity effects on flow localization

DEFF Research Database (Denmark)

Borg, Ulrik

2007-01-01

for metals described by the reformulated Fleck-Hutchinson strain gradient plasticity theory. The theory is implemented numerically within a finite element framework using slip rate increments and displacement increments as state variables. The formulation reduces to the classical crystal plasticity theory...... in the absence of strain gradients. The model is used to study the effect of an internal material length scale on the localization of plastic flow in shear bands in a single crystal under plane strain tension. It is shown that the mesh sensitivity is removed when using the nonlocal material model considered...

Growth and Characterization of Tetraphenylphosphonium Bromide Crystal

Directory of Open Access Journals (Sweden)

Guangqiang Wang

2017-05-01

Full Text Available Multiple-phenyl phosphorous compounds are a group of chemical materials that have been used as reactants, pharmaceutical intermediates, extractants, and catalysts in organic synthetic reactions. However, the crystal growth of bulk crystals of multiple-phenyl phosphorous compounds, which may expand their applications in photonics technology, have been largely overlooked. In this article, the crystal growth of tetraphenylphosphonium bromide (TPPB has been studied in organic solvents and water. The crystal structures and crystallization features are analyzed by X-ray diffraction data. By a slow temperature-lowering method, a single-crystal of TPPB (2H2O with the size of 27 × 20 × 20 mm3 has been obtained in water. The basic thermal and optical properties were characterized. We find that the TPPB (2H2O crystal shows excellent transparent property in the near-IR region. Large Raman shifts and strong Raman scattering intensity indicate that TPPB is a potential candidate in Raman-scattering-based nonlinearity applications.

Formation of large (≃100 μm ice crystals near the tropical tropopause

Directory of Open Access Journals (Sweden)

M. J. Alexander

2008-03-01

to imply that the measurements indicating water vapor concentrations less than 2 ppmv are implausible, but we cannot rule out the possibility that higher humidity prevailed upstream of the aircraft measurements and the air was dehydrated by the cloud formation. Simulations of the cloud formation with a detailed model indicate that homogeneous freezing should generate ice concentrations larger than the observed concencentrations (20 L−1, and even concentrations as low as 20 L−1 should have depleted the vapor in excess of saturation and prevented growth of large crystals. It seems likely that the large crystals resulted from ice nucleation on effective heterogeneous nuclei at low ice supersaturations. Improvements in our understanding of detailed cloud microphysical processes require resolution of the water vapor measurement discrepancies in these very cold, dry regions of the atmosphere.

Crystallization of perovskite film using ambient moisture and water as co-solvent for efficient planar perovskite solar cell (Conference Presentation)

Science.gov (United States)

Dubey, Ashish; Reza, Khan M.; Gaml, Eman; Adhikari, Nirmal; Qiao, Qiquan

2016-09-01

Smooth, compact and defect free morphology of perovskite is highly desired for enhanced device performance. Several routes such as thermal annealing, use of solvent mixtures, growth under controlled humidity has been adopted to obtain crystalline, smooth and defect free perovskite film. Herein we showed direct use of water (H2O) as co-solvent in precursor solution and have optimized the water content required to obtain smooth and dense film. Varying concentration of water was used in precursor solution of CH3NH3I and PbI2 mixed in γ-butyrolactone (GBL) and dimethylsulfoxide (DMSO). Perovskite films were crystallized using toluene assisted solvent engineering method using GBL:DMSO:H2O as solvent mixture. The amount of water was varied from 1% to 25%, which resulted in change in film morphology and perovskite crystallinity. It was concluded that an appropriate amount of water is required to assist the crystallization process to obtain smooth pin-hole free morphology. The change in morphology led to improved fill factor in the device, with highest efficiency 14%, which was significantly higher than devices made from perovskite film without adding water. We also showed that addition of up to 25% by volume of water does not significantly change the device performance.

Dehydration and crystallization kinetics of zirconia-yttria gels

International Nuclear Information System (INIS)

Ramanathan, S.; Muraleedharan, R.V.; Roy, S.K.; Nayar, P.K.K.

1995-01-01

Zirconia and zirconia-yttria gels containing 4 and 8 mol% yttria were obtained by coprecipitation and drying at 373 K. The dehydration and crystallization behavior of the dried gels was studied by DSC, TG, and XRD. The gels undergo elimination of water over a wide temperature range of 373--673 K. The peak temperature of the endotherm corresponding to dehydration and the kinetic constants for the process were not influenced by the yttria content of the gel. The enthalpy of dehydration observed was in good agreement with the heat of vaporization data. The dehydration was followed by a sharp exothermic crystallization process. The peak temperature of the exotherm and the activation energy of the process increased with an increase in yttria content, while the enthalpy of crystallization showed a decrease. The ''glow effect'' reduced with increasing yttria content. Pure zirconia crystallizes in the tetragonal form while the zirconia containing 4 and 8 mol% yttria appears to crystallize in the cubic form

Influence of impurities on the crystallization of dextrose monohydrate

Science.gov (United States)

Markande, Abhay; Nezzal, Amale; Fitzpatrick, John; Aerts, Luc; Redl, Andreas

2012-08-01

The effects of impurities on dextrose monohydrate crystallization were investigated. Crystal nucleation and growth kinetics in the presence of impurities were studied using an in-line focused beam reflectance monitoring (FBRM) technique and an in-line process refractometer. Experimental data were obtained from runs carried out at different impurity levels between 4 and 11 wt% in the high dextrose equivalent (DE) syrup. It was found that impurities have no significant influence on the solubility of dextrose in water. However, impurities have a clear influence on the nucleation and growth kinetics of dextrose monohydrate crystallization. Nucleation and growth rate were favored by low levels of impurities in the syrup.

Effect of borax on the wetting properties and crystallization behavior of sodium sulfate

NARCIS (Netherlands)

Granneman, S.J.C.; Shahidzadeh, N.; Lubelli, B.A.; Hees, R.P.J. van

2017-01-01

Borax has been identified as a possible crystallization modifier for sodium sulfate. Understanding the effect of borax on factors influencing transport and crystallization kinetics of sodium sulfate helps to clarify how this modifier might limit crystallization damage. It has been observed that the

Liquid Crystal Gel Reduces Age Spots by Promoting Skin Turnover

Directory of Open Access Journals (Sweden)

Mina Musashi

2014-07-01

Full Text Available Studies have shown that liquid crystals structurally resembling the intercellular lipids in the stratum corneum can beneficially affect the skin when applied topically by stimulating the skin’s natural regenerative functions and accelerating epidermal turnover. In the present study, the effects of applying low concentrations of a liquid crystal gel of our own creation were evaluated using epidermal thickening in mouse skin as an assay for effective stimulation of epidermal turnover. A liquid crystal gel was also applied topically to human facial skin, and analysis was conducted using before-and-after photographs of age spots, measurements of L* values that reflect degree of skin pigmentation, single-layer samples of the stratum corneum obtained via tape-stripping, and measurements of trans-epidermal water loss that reflect the status of the skin’s barrier function. The results suggested that cost-effective creams containing as low as 5% liquid crystal gel might be effective and safely sold as skin care products targeting age spots and other problems relating to uneven skin pigmentation.

Gentle, fast and effective crystal soaking by acoustic dispensing.

Science.gov (United States)

Collins, Patrick M; Ng, Jia Tsing; Talon, Romain; Nekrosiute, Karolina; Krojer, Tobias; Douangamath, Alice; Brandao-Neto, Jose; Wright, Nathan; Pearce, Nicholas M; von Delft, Frank

2017-03-01

The steady expansion in the capacity of modern beamlines for high-throughput data collection, enabled by increasing X-ray brightness, capacity of robotics and detector speeds, has pushed the bottleneck upstream towards sample preparation. Even in ligand-binding studies using crystal soaking, the experiment best able to exploit beamline capacity, a primary limitation is the need for gentle and nontrivial soaking regimens such as stepwise concentration increases, even for robust and well characterized crystals. Here, the use of acoustic droplet ejection for the soaking of protein crystals with small molecules is described, and it is shown that it is both gentle on crystals and allows very high throughput, with 1000 unique soaks easily performed in under 10 min. In addition to having very low compound consumption (tens of nanolitres per sample), the positional precision of acoustic droplet ejection enables the targeted placement of the compound/solvent away from crystals and towards drop edges, allowing gradual diffusion of solvent across the drop. This ensures both an improvement in the reproducibility of X-ray diffraction and increased solvent tolerance of the crystals, thus enabling higher effective compound-soaking concentrations. The technique is detailed here with examples from the protein target JMJD2D, a histone lysine demethylase with roles in cancer and the focus of active structure-based drug-design efforts.

Hydrothermal crystallization of zirconia and zirconia solid solutions

International Nuclear Information System (INIS)

Pyda, W.; Haberko, K.; Bucko, M.M.

1991-01-01

Zirconia as well as yttria-zirconia and calcia-zirconia solid-solution powders were crystallized under hydrothermal conditions from (co)precipitated hydroxides. The morphology of the power particles is strongly dependent on the crystallization conditions. The powders crystallized in a water solution of Na, K, and Li hydroxides show elongated particles of much larger sizes than those which result from the process carried out in pure water or a water solution of Na, K, or Li chlorides. The shapes of the latter particles are isometric. In this paper the growth mechanism of the elongated particles is suggested

Lattice effects in YVO3 single crystal

NARCIS (Netherlands)

Marquina, C; Sikora, M; Ibarra, MR; Nugroho, AA; Palstra, TTM

In this paper we report on the lattice effects in the Mott insulator yttrium orthovanadate (YVO3). Linear thermal expansion and magnetostriction experiments have been performed on a single crystal, in the temperature range from 5 K to room temperature. The YVO3 orders antiferromagnetically at T-N =

Bioinspired co-crystals of Imatinib providing enhanced kinetic solubility.

Science.gov (United States)

Reggane, Maude; Wiest, Johannes; Saedtler, Marco; Harlacher, Cornelius; Gutmann, Marcus; Zottnick, Sven H; Piechon, Philippe; Dix, Ina; Müller-Buschbaum, Klaus; Holzgrabe, Ulrike; Meinel, Lorenz; Galli, Bruno

2018-05-04

Realizing the full potential of co-crystals enhanced kinetic solubility demands a comprehensive understanding of the mechanisms of dissolution, phase conversion, nucleation and crystal growth, and of the complex interplay between the active pharmaceutical ingredient (API), the coformer and co-existing forms in aqueous media. One blueprint provided by nature to keep poorly water-soluble bases in solution is the complexation with phenolic acids. Consequently, we followed a bioinspired strategy for the engineering of co-crystals of a poorly water-soluble molecule - Imatinib - with a phenolic acid, syringic acid (SYA). The dynamics of dissolution and solution-mediated phase transformations were monitored by Nuclear Magnetic Resonance (NMR) spectroscopy, providing mechanistic insights into the 60 fold-increased long lasting concentrations achieved by the syringate co-crystals as compared to Imatinib base and Imatinib mesylate. This lasting effect was linked to SYA's ability to delay the formation and nucleation of Imatinib hydrate - the thermodynamically stable form in aqueous media - through a metastable association of SYA with Imatinib in solution. Results from permeability studies evidenced that SYA did not impact Imatinib's permeability across membranes while suggesting improved bioavailability through higher kinetic solubility at the biological barriers. These results reflect that some degree of hydrophobicity of the coformer might be key to extend the kinetic solubility of co-crystals with hydrophobic APIs. Understanding how kinetic supersaturation can be shaped by the selection of an interactive coformer may help achieving the needed performance of new forms of poorly water-soluble, slowly dissolving APIs. Copyright © 2018. Published by Elsevier B.V.

Some results of simulation on radiation effects in crystals

International Nuclear Information System (INIS)

Baier, T.; AN SSSR, Novosibirsk

1993-05-01

Simulations concerning radiation in oriented silicon and tungsten crystals of different thicknesses are developed. Conditions are those of experiments done at Kharkov (Ukraine) and Tomsk (Russia) with electron beams in the 1 GeV range. Systematic comparisons between experimental and simulated spectra associated to real spectrum, radiation energy and angular distribution of the photons are developed. The ability of the simulation program to describe crystal effects in the considered energy range is analysed. (author) 11 refs.; 8 figs

Effects of crystal size on the mechanical properties of a lithium disilicate glass-ceramic

Energy Technology Data Exchange (ETDEWEB)

Li, D. [State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, 28 West Xianning Road, Xi’an 710049 (China); Guo, J.W.; Wang, X.S; Zhang, S.F. [State Key Laboratory of Military Stomatology, Department of Prosthodontics, School of Stomatology, Fourth Military Medical University, 145 West Changle Road, Xi’an 710032 (China); He, L., E-mail: helin@mail.xjtu.edu.cn [State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, 28 West Xianning Road, Xi’an 710049 (China)

2016-07-04

Crystal size of lithium disilicate (LD) phase in a LD glass-ceramic was changed by thermally controlled crystallization of a precursory LD glass at different temperatures. Effects of the crystal size on the mechanical properties of the glass-ceramic were investigated. It was found that the flexural strength presented a hump-like variation trend with increasing the crystal size, the hardness monotonously decreased at the same time. It was further confirmed that micro residual compressive stresses existed inside the LD crystals due to the thermal expansion mismatch between the glass matrix and the crystalline phase. The levels of the residual stresses increased with increasing the crystal size. The crystal size performed dual effects on the flexural strength of the glass-ceramic: an “interlocking effect” caused by larger-sized LD crystals and a “micro residual stress effect” related to the balancing tensile stresses in the glass matrix. Higher residual tensile stresses in the glass matrix induced by larger-sized LD crystals would counteract the “interlocking effect” of the crystals, causing the strength degradation. The hardness of the glass-ceramic was mainly controlled by the “micro residual stress effect”.

Investigation of the liquid crystal alignment layer: effect on electrical properties

International Nuclear Information System (INIS)

Abderrahmen, Asma; Romdhane, Fayda Fekih; Gharbi, Abdelhafidh; Ouada, Hafedh Ben

2008-01-01

We investigate the electrical behavior of a symmetric liquid crystal (LC) cell: elecrode-silane-LC-silane-electrode. The silane (chlorodimethyloctadecyl-silane) layer induces a homeotropic orientation of the nematic liquid crystal (NLC) molecules. The wettability technique is used to detect the change of the surface energy of the electrode upon cleaning and silane layer deposition. We report on the dynamic impedance measurements of the nematic liquid crystal cell. It is found that the silane alignment layer has a blocking effect on the liquid crystal (LC) cell. We also study the relaxation behavior of the cell which is later assimilated as an electrical equivalent circuit

Investigation of the liquid crystal alignment layer: effect on electrical properties

Energy Technology Data Exchange (ETDEWEB)

Abderrahmen, Asma; Romdhane, Fayda Fekih; Gharbi, Abdelhafidh [Laboratoire de la matiere molle, Faculte des sciences, Tunis (Tunisia); Ouada, Hafedh Ben [Laboratoire de physique et chimie des interfaces, Faculte des sciences, 5000 Monastir (Tunisia)], E-mail: asma_abderrahmen@yahoo.fr

2008-04-01

We investigate the electrical behavior of a symmetric liquid crystal (LC) cell: elecrode-silane-LC-silane-electrode. The silane (chlorodimethyloctadecyl-silane) layer induces a homeotropic orientation of the nematic liquid crystal (NLC) molecules. The wettability technique is used to detect the change of the surface energy of the electrode upon cleaning and silane layer deposition. We report on the dynamic impedance measurements of the nematic liquid crystal cell. It is found that the silane alignment layer has a blocking effect on the liquid crystal (LC) cell. We also study the relaxation behavior of the cell which is later assimilated as an electrical equivalent circuit.

Effect of the Cu and Ni content on the crystallization temperature and crystallization mechanism of La–Al–Cu(Ni metallic glasses

Directory of Open Access Journals (Sweden)

Peiyou Li

2016-02-01

Full Text Available The effect of the Cu and Ni content on the crystallization mechanism and the crystallization temperatures of La–Al–Cu(Ni metallic glasses (MGs was studied by differential scanning calorimetry (DSC. The experimental results have shown that the DSC curves obtained for the La–Al–Cu and La–Al–Ni MGs exhibit two and three crystallization temperatures, respectively. The crystallization temperatures of the La–Al–Cu and La–Al–Ni MGs result from the merging and splitting of thermal events related to the corresponding eutectic atomic pairs in the La72Cu28 and La81.6Al18.4 MGs, and La72Ni28 and La81.6Al18.4 MGs, respectively. In addition, Al- and Ni-containing clusters with weak or strong atomic interaction in the Al–Ni atomic pairs strongly affect the crystallization mechanism and thus the crystallization temperature of La–Al–Ni MGs. This study provides a novel understanding of the relation between the crystallization temperature and the underlying crystallization mechanisms in La–Al–Cu(Ni MGs.

Crystal growth and properties of novel organic nonlinear optical crystals of 4-Nitrophenol urea

Energy Technology Data Exchange (ETDEWEB)

Mohan, M. Krishna, E-mail: krishnamohan.m@ktr.srmuniv.ac.in; Ponnusamy, S.; Muthamizhchelvan, C.

2017-07-01

Single crystals of 4-Nitrophenol urea have been grown from water using slow evaporation technique at constant temperature, with the vision to improve the properties of the crystals. The unit cell parameters of the grown crystals were determined by single crystal and powder X-Ray diffraction. FTIR studies reveals the presence of different vibrational bands. The Optical studies confirmed that the crystal is transparent up to 360 nm .TGA and DSC studies were carried out to understand the thermal behavior of crystals. The SHG studies show the suitability of the crystals for NLO applications. The etching studies were carried out to study the behavior of the crystals under different conditions.These studies reveal that the crystals of 4-Nitrophenol urea are suitable for device applications. - Highlights: • 4-Nitrophenol urea crystals of dimensions 14 mm × 1 mm were grown. • UV–Visible studies indicate the crystal is transparent in the region of 370–800 nm. • Thermal studies show the crystal starts decomposing at 170 °C. • SHG studies indicate that the crystals have NLO efficiency 3.5 times that of KDP.

Real-Time Fluorescence Detection in Aqueous Systems by Combined and Enhanced Photonic and Surface Effects in Patterned Hollow Sphere Colloidal Photonic Crystals.

Science.gov (United States)

Zhong, Kuo; Wang, Ling; Li, Jiaqi; Van Cleuvenbergen, Stijn; Bartic, Carmen; Song, Kai; Clays, Koen

2017-05-16

Hollow sphere colloidal photonic crystals (HSCPCs) exhibit the ability to maintain a high refractive index contrast after infiltration of water, leading to extremely high-quality photonic band gap effects, even in an aqueous (physiological) environment. Superhydrophilic pinning centers in a superhydrophobic environment can be used to strongly confine and concentrate water-soluble analytes. We report a strategy to realize real-time ultrasensitive fluorescence detection in patterned HSCPCs based on strongly enhanced fluorescence due to the photonic band-edge effect combined with wettability differentiation in the superhydrophobic/superhydrophilic pattern. The orthogonal nature of the two strategies allows for a multiplicative effect, resulting in an increase of two orders of magnitude in fluorescence.

Determination of particle size distribution of salt crystals in aqueous slurries

International Nuclear Information System (INIS)

Miller, A.G.

1977-10-01

A method for determining particle size distribution of water-soluble crystals in aqueous slurries is described. The salt slurries, containing sodium salts of predominantly nitrate, but also nitrite, sulfate, phosphate, aluminates, carbonate, and hydroxide, occur in radioactive, concentrated chemical waste from the reprocessing of nuclear fuel elements. The method involves separating the crystals from the aqueous phase, drying them, and then dispersing the crystals in a nonaqueous medium based on nitroethane. Ultrasonic treatment is important in dispersing the sample into its fundamental crystals. The dispersed crystals are sieved into appropriate size ranges for counting with a HIAC brand particle counter. A preponderance of very fine particles in a slurry was found to increase the difficulty of effecting complete dispersion of the crystals because of the tendency to retain traces of aqueous mother liquor. Traces of moisture produce agglomerates of crystals, the extent of agglomeration being dependent on the amount of moisture present. The procedure is applicable to particles within the 2 to 600 μm size range of the HIAC particle counter. The procedure provides an effective means for measuring particle size distribution of crystals in aqueous salt slurries even when most crystals are less than 10 μm in size. 19 figures

Development of a CE-QUAL-W2 temperature model for Crystal Springs Lake, Portland, Oregon

Science.gov (United States)

Buccola, Norman L.; Stonewall, Adam J.

2016-05-19

During summer 2014, lake level, streamflow, and water temperature in and around Crystal Springs Lake in Portland, Oregon, were measured by the U.S. Geological Survey and the City of Portland Bureau of Environmental Services to better understand the effect of the lake on Crystal Springs Creek and Johnson Creek downstream. Johnson Creek is listed as an impaired water body for temperature by the Oregon Department of Environmental Quality (ODEQ), as required by section 303(d) of the Clean Water Act. A temperature total maximum daily load applies to all streams in the Johnson Creek watershed, including Crystal Springs Creek. Summer water temperatures downstream of Crystal Springs Lake and the Golf Pond regularly exceed the ODEQ numeric criterion of 64.4 °F (18.0 °C) for salmonid rearing and migration. To better understand temperature contributions of this system, the U.S. Geological Survey developed two-dimensional hydrodynamic water temperature models of Crystal Springs Lake and the Golf Pond. Model grids were developed to closely resemble the bathymetry of the lake and pond using data from a 2014 survey. The calibrated models simulated surface water elevations to within 0.06 foot (0.02 meter) and outflow water temperature to within 1.08 °F (0.60 °C). Streamflow, water temperature, and lake elevation data collected during summer 2014 supplied the boundary and reference conditions for the model. Measured discrepancies between outflow and inflow from the lake, assumed to be mostly from unknown and diffuse springs under the lake, accounted for about 46 percent of the total inflow to the lake.

EELS and electron diffraction studies on possible bonaccordite crystals in pressurized water reactor fuel CRUD and in oxide films of alloy 600 material

Energy Technology Data Exchange (ETDEWEB)

Chen, Jiaxin [Studsvik Nuclear AB, Nykoping (Sweden); Lindberg, Fredrik [Swerea KIMAB AB, Kista (Sweden); Wells, Daniel [Electric Power Research Institute, Charlotte (United States); Bengysson, Bernt [Ringhals AB, Ringhalsverket, Varobacka (Sweden)

2017-06-15

Experimental verification of boron species in fuel CRUD (Chalk River Unidentified Deposit) would provide essential and important information about the root cause of CRUD-induced power shifts (CIPS). To date, only bonaccordite and elemental boron were reported to exist in fuel CRUD in CIPS-troubled pressurized water reactor (PWR) cores and lithium tetraborate to exist in simulated PWR fuel CRUD from some autoclave tests. We have reevaluated previous analysis of similar threadlike crystals along with examining some similar threadlike crystals from CRUD samples collected from a PWR cycle that had no indications of CIPS. These threadlike crystals have a typical [Ni]/[Fe] atomic ratio of ⁓2 and similar crystal morphology as the one (bonaccordite) reported previously. In addition to electron diffraction study, we have applied electron energy loss spectroscopy to determine boron content in such a crystal and found a good agreement with that of bonaccordite. Surprisingly, such crystals seem to appear also on corroded surfaces of Alloy 600 that was exposed to simulated PWR primary water with a dissolved hydrogen level of 5 mL H{sub 2}/kg H{sub 2}O, but absent when exposed under 75 mL H{sub 2}/kg H{sub 2}O condition. It remains to be verified as to what extent and in which chemical environment this phase would be formed in PWR primary systems.

Water Activated Doping and Transport in Multilayered Germanane Crystals

Science.gov (United States)

2015-09-21

Justin Young, Basant Chitara , Nicholas Cultrara , Maxx Q Arguilla , Shishi Jiang, Fan Fan , Ezekiel Johnston-Halperin, Joshua E Goldberger 611102 c...Crystals Justin R Young1, Basant Chitara2, Nicholas D Cultrara2, Maxx Q Arguilla2, Shishi Jiang2, Fan Fan2 Ezekiel Johnston-Halperin1, Joshua E...Optoelectronics ACS Nano 7 5660-5 [9] Zhang Y, Tan Y-W, Stormer H L and Kim P 2005 Experimental observation of the quantum Hall effect and Berry’s phase in

Anomalous Doppler effects in bulk phononic crystal

International Nuclear Information System (INIS)

Cai Feiyan; He Zhaojian; Zhang Anqi; Ding Yiqun; Liu Zhengyou

2010-01-01

Doppler effects in simple cubic phononic crystal are studied theoretically and numerically. In addition to observing Doppler shifts from a moving source's frequencies inside the gap, we find that Doppler shifts can be multi-order, anisotropic, and the dominant order of shift depends on the band index that the source's frequency is in.

Crystal and morphological phase transformation of Pb(II) to Pb(IV) in chlorinated water

International Nuclear Information System (INIS)

Lytle, Darren A.; White, Colin; Nadagouda, Mallikarjuna N.; Worrall, Adam

2009-01-01

Herein, we show an important transformation of Pb(II) to Pb(IV) in chlorinated water under laboratory conditions. The study results will give an insight toward understanding how corrosion by-products on lead materials found in drinking water distribution systems develop and breakdown with time. The experiments were conducted to elucidate the morphology of lead (IV) oxide mineral transformation from hydrocerussite and its relationship to color change over a period of time. Scanning electron microscopy and transmission electron microscopy were used to describe the surface morphology, shape and size of lead solids. X-ray diffraction (XRD) analysis was performed to determine the mineral structure of lead solids. Solids analysis results were compared over a 14-day period of time to define changes in the crystal structure and morphology of lead solids. XRD analysis results of freshly synthesized lead solids showed that hydrocerussite, [Pb 3 (CO 3 ) 2 (OH) 2 ], was the only lead mineral present. After 14 days, a mixture of cerussite (PbCO 3 ) and α-PbO 2 and β-PbO 2 was present. Lead precipitates, i.e. hydrocerussite changed color from white to reddish brown confirming a transformation of the lead phase with time. This was correlated to a change in morphology from flower shaped crystals to hexagonal bars and submicron particles.

Periodic changes in effluent chemistry at cold-water geyser: Crystal geyser in Utah

Science.gov (United States)

Han, Weon Shik; Watson, Z. T.; Kampman, Niko; Grundl, Tim; Graham, Jack P.; Keating, Elizabeth H.

2017-07-01

Crystal geyser is a CO2-driven cold-water geyser which was originally drilled in the late 1930's in Green River, Utah. Utilizing a suite of temporal groundwater sample datasets, in situ monitoring of temperature, pressure, pH and electrical conductivity from multiple field trips to Crystal geyser from 2007 to 2014, periodic trends in groundwater chemistry from the geyser effluent were identified. Based on chemical characteristics, the primary sourcing aquifers are characterized to be both the Entrada and Navajo Sandstones with a minor contribution from Paradox Formation brine. The single eruption cycle at Crystal geyser lasted over four days and was composed of four parts: Minor Eruption (mEP), Major Eruption (MEP), Aftershock Eruption (Ae) and Recharge (R). During the single eruption cycle, dissolved ionic species vary 0-44% even though the degree of changes for individual ions are different. Generally, Na+, K+, Cl- and SO42- regularly decrease at the onset and throughout the MEP. These species then increase in concentration during the mEP. Conversely, Ca2+, Mg2+, Fe2+ and Sr2+ increase and decrease in concentration during the MEP and mEP, respectively. The geochemical inverse modeling with PHREEQC was conducted to characterize the contribution from three end-members (Entrada Sandstone, Navajo Sandstone and Paradox Formation brine) to the resulting Crystal geyser effluent. Results of the inverse modeling showed that, during the mEP, the Navajo, Entrada and brine supplied 62-65%, 36-33% and 1-2%, respectively. During the MEP, the contribution shifted to 53-56%, 45-42% and 1-2% for the Navajo, Entrada and Paradox Formation brine, respectively. The changes in effluent characteristics further support the hypothesis by Watson et al. (2014) that the mEP and MEP are driven by different sources and mechanisms.

Growing Crystals on the Ceiling.

Science.gov (United States)

Christman, Robert A.

1980-01-01

Described is a method of studying growing crystals in a classroom utilizing a carrousel projector standing vertically. A saturated salt solution is placed on a slide on the lens of the projector and the heat from the projector causes the water to evaporate and salt to crystalize. (Author/DS)

Robust photonic differentiator employing slow light effect in photonic crystal waveguide

DEFF Research Database (Denmark)

Yan, Siqi; Cheng, Ziwei; Frandsen, Lars Hagedorn

2017-01-01

A robust photonic DIFF exploiting the slow light effect in a photonic crystal waveguide is proposed and experimentally demonstrated. Input Gaussian pulses with full-width halfmaximums ranging from 2.7 ps to 81.4 ps can be accurately differentiated.......A robust photonic DIFF exploiting the slow light effect in a photonic crystal waveguide is proposed and experimentally demonstrated. Input Gaussian pulses with full-width halfmaximums ranging from 2.7 ps to 81.4 ps can be accurately differentiated....

Highly crystallized nanometer-sized zeolite a with large Cs adsorption capability for the decontamination of water.

Science.gov (United States)

Torad, Nagy L; Naito, Masanobu; Tatami, Junichi; Endo, Akira; Leo, Sin-Yen; Ishihara, Shinsuke; Wu, Kevin C-W; Wakihara, Toru; Yamauchi, Yusuke

2014-03-01

Nanometer-sized zeolite A with a large cesium (Cs) uptake capability is prepared through a simple post-milling recrystallization method. This method is suitable for producing nanometer-sized zeolite in large scale, as additional organic compounds are not needed to control zeolite nucleation and crystal growth. Herein, we perform a quartz crystal microbalance (QCM) study to evaluate the uptake ability of Cs ions by zeolite, to the best of our knowledge, for the first time. In comparison to micrometer-sized zeolite A, nanometer-sized zeolite A can rapidly accommodate a larger amount of Cs ions into the zeolite crystal structure, owing to its high external surface area. Nanometer-sized zeolite is a promising candidate for the removal of radioactive Cs ions from polluted water. Our QCM study on Cs adsorption uptake behavior provides the information of adsorption kinetics (e.g., adsorption amounts and rates). This technique is applicable to other zeolites, which will be highly valuable for further consideration of radioactive Cs removal in the future. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bulk photovoltaic effect in an organi c polar crystal

NARCIS (Netherlands)

Vijayaraghavan, R.K.; Meskers, S.C.J.; Abdul Rahim, M.; Das, S.

2014-01-01

Organic polar crystals from the donor–acceptor substituted 1,4-diphenybutadiene 1 can generate a short-circuit photocurrent and a photovoltage upon illumination with near UV light. The photocurrent and photovoltage are attributed to a bulk photovoltaic effect. The bulk photovoltaic effect has been

Thickness-dependent photovoltaic effects in miscut Nb-doped SrTiO3 single crystals

International Nuclear Information System (INIS)

Yue Zengji; Zhao Kun; Zhao Songqing; Lu Zhiqing; Li Xiaoming; Ni Hao; Wang Aijun

2010-01-01

The photovoltaic effects of Nb-doped SrTiO 3 single crystals with different thicknesses were investigated under the illumination of ultraviolet pulsed lasers. The peak photovoltage increased and then decreased quickly with the decrease in crystal thickness, and a maximum photovoltage occurred for the 180 μm-thick crystal. The photovoltaic response time decreased monotonically with decreasing crystal thickness. The present results suggested the promising potential of reducing crystal thickness in high sensitivity detectors with fast response.

The finite-size effect in thin liquid crystal systems

Science.gov (United States)

Śliwa, I.

2018-05-01

Effects of surface ordering in liquid crystal systems confined between cell plates are of great theoretical and experimental interest. Liquid crystals introduced in thin cells are known to be strongly stabilized and ordered by cell plates. We introduce a new theoretical method for analyzing the effect of surfaces on local molecular ordering in thin liquid crystal systems with planar geometry of the smectic layers. Our results show that, due to the interplay between pair long-range intermolecular forces and nonlocal, relatively short-range, surface interactions, both orientational and translational orders of liquid crystal molecules across confining cells are very complex. In particular, it is demonstrated that the SmA, nematic, and isotropic phases can coexist. The phase transitions from SmA to nematic, as well as from nematic to isotropic phases, occur not simultaneously in the whole volume of the system but begin to appear locally in some regions of the LC sample. Phase transition temperatures are demonstrated to be strongly affected by the thickness of the LC system. The dependence of the corresponding shifts of phase transition temperatures on the layer number is shown to exhibit a power law character. This new type of scaling behavior is concerned with the coexistence of local phases in finite systems. The influence of a specific character of interactions of molecules with surfaces and other molecules on values of the resulting critical exponents is also analyzed.

Crystal-field effect in UO2

International Nuclear Information System (INIS)

Gajek, Z.; Lahalle, M.P.; Krupa, J.C.; Mulak, J.

1988-01-01

Simple ab initio model perturbation calculations of the crystal-field parameters for the U 4+ ion in UO 2 crystals are reported. The crystal-field parameters obtained, B 0 4 = -7130 cm -1 and B 0 6 = 2890 cm -1 , turn out to be much lower in value, particularly the first one, than those usually assumed for this compound. They are found, however, to agree with new spectroscopic data and recent inelastic neutron scattering measurements. (orig.)

Different magnesium release profiles from W/O/W emulsions based on crystallized oils.

Science.gov (United States)

Herzi, Sameh; Essafi, Wafa

2018-01-01

Water-in-oil-in-water (W/O/W) double emulsions based on crystallized oils were prepared and the release kinetics of magnesium ions from the internal to the external aqueous phase was investigated at T=4°C, for different crystallized lipophilic matrices. All the emulsions were formulated using the same surface-active species, namely polyglycerol polyricinoleate (oil-soluble) and sodium caseinate (water-soluble). The external aqueous phase was a lactose or glucose solution at approximately the same osmotic pressure as that of the inner droplets, in order to avoid osmotic water transfer phenomena. We investigated two types of crystallized lipophilic systems: one based on blends of cocoa butter and miglyol oil, exploring a solid fat content from 0 to 90% and the other system based on milk fat fractions for which the solid fat content varies between 54 and 86%. For double emulsions based on cocoa butter/miglyol oil, the rate of magnesium release was gradually lowered by increasing the % of fat crystals i.e. cocoa butter, in agreement with a diffusion/permeation mechanism. However for double emulsions based on milk fat fractions, the rate of magnesium release was independent of the % of fat crystals and remains the one at t=0. This difference in diffusion patterns, although the solid content is of the same order, suggests a different distribution of fat crystals within the double globules: a continuous fat network acting as a physical barrier for the diffusion of magnesium for double emulsions based on cocoa butter/miglyol oil and double globule/water interfacial distribution for milk fat fractions based double emulsions, through the formation of a crystalline shell allowing an effective protection of the double globules against diffusion of magnesium to the external aqueous phase. Copyright © 2017 Elsevier Inc. All rights reserved.

Trapping crystal nucleation of cholesterol monohydrate

DEFF Research Database (Denmark)

Solomonov, I.; Weygand, M.J.; Kjær, K.

2005-01-01

Crystalline nucleation of cholesterol at the air-water interface has been studied via grazing incidence x-ray diffraction using synchrotron radiation. The various stages of cholesterol molecular assembly from monolayer to three bilayers incorporating interleaving hydrogen-bonded water layers......, at least initially, an intralayer cholesterol rearrangement in a single-crystal-to-single-crystal transition. The preferred nucleation of the monoclinic phase of cholesterol . H2O followed by transformation to the stable monohydrate phase may be associated with an energetically more stable cholesterol...... bilayer arrangement of the former and a more favorable hydrogen-bonding arrangement of the latter. The relevance of this nucleation process of cholesterol monohydrate to pathological crystallization of cholesterol from cell biomembranes is discussed....

Disorder effects on free excitons in CdSsub(1-x)Sesub(x) mixed crystals

International Nuclear Information System (INIS)

Goede, O.; Hennig, D.; John, L.

1979-01-01

In CdSsub(1-x)Sesub(x) mixed crystals the energies and transition probability ratios for free A, B, and C excitons are obtained as a function of the composition x by reflection and emission measurements at 77 K. The observation of the disorder-allowed A(GAMMA 6 ) exciton transition, the bowing of the energy difference between A and C exciton, and the broadening of the exciton lines clearly demonstrate the importance of disorder effects in these mixed crystals. This conclusion is further supported by the stress-induced enhancement of the A(GAMMA 6 ) exciton transition probability by uniaxial stress parallel to the c-axis of the mixed crystals. The experimental results are discussed on the basis of an effective exciton Hamiltonian consisting of a quasi-cubic VCA-Hamiltonian for wurtzite-type mixed crystals and an additional lower-symmetric term which describes the disorder effects phenomenologically by two fluctuating crystal fields parallel and perpendicular to the c-axis, respectively. (author)

Polariton effects in naphthalene crystals

International Nuclear Information System (INIS)

Robinette, S.L.

1977-10-01

The experimental verification of the two-step nature of energy dissipation of photon energy by a crystal is the subject of this dissertation. The α(O,O) Davydov component of the lowest energy singlet transition in pure strain-free napthalene single crystals is shown to exhibit an increase in absorption with increasing temperature, due to an increase in polariton damping via polariton-phonon scattering processes

Effect of calcium deficiency on the mechanical properties of hydroxyapatite crystals

International Nuclear Information System (INIS)

Viswanath, B.; Shastry, V.V.; Ramamurty, U.; Ravishankar, N.

2010-01-01

The deterioration of the mechanical properties of bone with age is related to several factors including the structure, organization and chemistry of the constituent phases; however, the relative contribution of each of these factors is not well understood. In this study, we have investigated the effect of chemistry (calcium deficiency) on the mechanical properties of single crystals of hydroxyapatite. Single crystals of stoichiometric crystals grown by the flux method and calcium-deficient platelet crystals grown using wet chemical methods were used as model systems. Using nanoindentation, we show that calcium deficiency leads to an 80% reduction in the hardness and elastic modulus and at least a 75% reduction in toughness in plate-shaped hydroxyapatite crystals. Measurement of local mechanical properties using nanoindentation and nanoscale chemistry through elemental mapping in a transmission electron microscope points to a direct correlation between the observed spatial variation in composition and the large scatter in the measured hardness and modulus values.

Characteristics of indomethacin-saccharin (IMC-SAC) co-crystals prepared by an anti-solvent crystallization process.

Science.gov (United States)

Chun, Nan-Hee; Wang, In-Chun; Lee, Min-Jeong; Jung, Yun-Taek; Lee, Sangkil; Kim, Woo-Sik; Choi, Guang J

2013-11-01

The creation of co-crystals of various insoluble drug substances has been extensively investigated as a promising approach to improve their pharmaceutical performance. In this study, co-crystal powders of indomethacin and saccharin (IMC-SAC) were prepared by an anti-solvent (water) addition and compared with co-crystals by evaporation method. No successful synthesis of a pharmaceutical co-crystal powder via an anti-solvent approach has been reported. Among solvents examined, methanol was practically the only one that resulted in the formation of highly pure IMC-SAC co-crystal powders by anti-solvent approach. The mechanism of a preferential formation of IMC-SAC co-crystal to IMC was explained with two aspects: phase solubility diagram and solution complexation concept. Accordingly, the anti-solvent approach can be considered as a competitive route for producing pharmaceutical co-crystal powders with acceptable properties. Copyright © 2013 Elsevier B.V. All rights reserved.

Study of nonlinear effects in photonic crystals doped with nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Singh, Mahi R [Department of Physics and Astronomy, University of Western Ontario, London, N6A 3K7 Ontario (Canada)

2008-07-14

A theory of nonlinear phenomena has been developed for a photonic crystal in the presence of a pump and a coupling laser field. The crystal is doped with an ensemble of four-level nanoparticle impurities. It is considered that the impurity particles are not only interacting with the photonic crystal but also with each other via dipole-dipole interaction. An expression for the susceptibility has been obtained using the density matrix method. The nonlinear effects due to the coupling and the pump fields have been included in the formulation. The absorption spectrum has been calculated in the presence of the strong coupling and pump fields for an isotropic photonic crystal made from dielectric spheres. The photonic crystal has a gap to midgap ratio of about 21%. It is predicted that the absorption spectrum in the photonic crystal can have zero, one, two or three absorptionless states by tuning one of the transition energies within the bands. This is an interesting phenomenon which can be used to make photonic switching devices. We have also calculated the absorption spectrum in the presence of the dipole-dipole interaction. It is found that a symmetric absorption spectrum changes to an asymmetric one due to this interaction. It is also found that there is a large enhancement in the absorption and the dispersion simultaneously for certain values of the detuning and concentration.

Study of nonlinear effects in photonic crystals doped with nanoparticles

International Nuclear Information System (INIS)

Singh, Mahi R

2008-01-01

A theory of nonlinear phenomena has been developed for a photonic crystal in the presence of a pump and a coupling laser field. The crystal is doped with an ensemble of four-level nanoparticle impurities. It is considered that the impurity particles are not only interacting with the photonic crystal but also with each other via dipole-dipole interaction. An expression for the susceptibility has been obtained using the density matrix method. The nonlinear effects due to the coupling and the pump fields have been included in the formulation. The absorption spectrum has been calculated in the presence of the strong coupling and pump fields for an isotropic photonic crystal made from dielectric spheres. The photonic crystal has a gap to midgap ratio of about 21%. It is predicted that the absorption spectrum in the photonic crystal can have zero, one, two or three absorptionless states by tuning one of the transition energies within the bands. This is an interesting phenomenon which can be used to make photonic switching devices. We have also calculated the absorption spectrum in the presence of the dipole-dipole interaction. It is found that a symmetric absorption spectrum changes to an asymmetric one due to this interaction. It is also found that there is a large enhancement in the absorption and the dispersion simultaneously for certain values of the detuning and concentration

Photorefractive effect at 775 nm in doped lithium niobate crystals

Energy Technology Data Exchange (ETDEWEB)

Nava, G.; Minzioni, P.; Cristiani, I.; Degiorgio, V. [Department of Electrical, Computer, and Biomedical Engineering, and CNISM, University of Pavia, 27100 Pavia (Italy); Argiolas, N.; Bazzan, M.; Ciampolillo, M. V.; Pozza, G.; Sada, C. [Physics and Astronomy Departement, University of Padova, 35131 Padova (Italy)

2013-07-15

The photorefractive effect induced by 775-nm laser light on doped lithium niobate crystals is investigated by the direct observation in the far field of the transmitted-beam distortion as a function of time. Measurements performed at various Zr-doping concentrations and different light intensities show that the 775-nm light beam induces a steady-state photorefractive effect comparable to that of 532-nm light, but the observed build-up time of the photovoltaic field is longer by three-orders of magnitude. The 775-nm photorefractivity of lithium niobate crystals doped with 3 mol. % ZrO{sub 2} or with 5.5 mol. % MgO is found to be negligible.

Radiation-electromagnetic effect in germanium single crystals

International Nuclear Information System (INIS)

Kikoin, I.K.; Kikoin, L.I.; Lazarev, S.D.

1980-01-01

An experimental study was made of the radiation-electromagnetic effect in germanium single crystals when excess carriers were generated by bombardment with α particles, protons, or x rays in magnetic fields up to 8 kOe. The source of α particles and protons was a cyclotron and x rays were provided by a tube with a copper anode. The radiation-electromagnetic emf increased linearly on increase in the magnetic field and was directly proportional to the flux of charged particles at low values of the flux, reaching saturation at high values of the flux (approx.5 x 10 11 particles .cm -2 .sec -1 ). In the energy range 4--40 MeV the emf was practically independent of the α-particle energy. The sign of the emf was reversed when samples with a ground front surface were irradiated. Measurements of the photoelectromagnetic and Hall effects in the α-particle-irradiated samples showed that a p-n junction was produced by these particles and its presence should be allowed for in investigations of the radiation-electromagnetic effect. The measured even radiation-electromagnetic emf increased quadratically on increase in the magnetic field. An investigation was made of the barrier radiation-voltaic effect (when the emf was measured between the irradiated and unirradiated surfaces). Special masks were used to produce a set of consecutive p-n junctions in germanium crystals irradiated with α particles. A study of the photovoltaic and photoelectromagnetic effects in such samples showed that the method could be used to increase the efficiency of devices utilizing the photoelectromagnetic effect

Crystallization and preliminary characterization of three different crystal forms of human saposin C heterologously expressed in Pichia pastoris

International Nuclear Information System (INIS)

Schultz-Heienbrok, Robert; Remmel, Natascha; Klingenstein, R.; Rossocha, Maksim; Sandhoff, Konrad; Saenger, Wolfram; Maier, Timm

2006-01-01

Three different crystal forms were obtained of human saposin C. The structures could not be determined by molecular replacement using known solution structures of the protein as search models, supporting the notion of a highly flexible protein. The amphiphilic saposin proteins (A, B, C and D) act at the lipid–water interface in lysosomes, mediating the hydrolysis of membrane building blocks by water-soluble exohydrolases. Human saposin C activates glucocerebrosidase and β-galactosylceramidase. The protein has been expressed in Pichia pastoris, purified and crystallized in three different crystal forms, diffracting to a maximum resolution of 2.5 Å. Hexagonal crystals grew from 2-propanol-containing solution and contain a single molecule in the asymmetric unit according to the Matthews coefficient. Orthorhombic and tetragonal crystals were both obtained with pentaerythritol ethoxylate and are predicted to contain two molecules in the asymmetric unit. Attempts to determine the respective crystal structures by molecular replacement using either the known NMR structure of human saposin C or a related crystal structure as search models have so far failed. The failure of the molecular-replacement method is attributed to conformational changes of the protein, which are known to be required for its biological activity. Crystal structures of human saposin C therefore might be the key to mapping out the conformational trajectory of saposin-like proteins

Effect of γ-radiation on crystallization of polycaprolactone

International Nuclear Information System (INIS)

Zhu Guangming; Xu, Qianyong; Qin Ruifeng; Yan Hongxia; Liang Guozheng

2005-01-01

The crystallization behavior of radiation cross-linked poly(ε-caprolactone) (PCL) was studied by DSC at different cooling rates. The crystallization process was analyzed by the Ozawa equation and the Mo-Zhishen method that is developed from combining the Avrami equation and the Ozawa equation. It was concluded that the crystallization of radiation crosslinked PCL is governed by heterogeneous nucleation and single-dimension growth; the crystal fraction and rates of crystallization are related to the radiation dose and degree of cross-linking; the relationship between relative crystallinity and time follows the Ozawa equation: The higher the degree of crosslinking, the less the crystal velocity constant. The activation energy of crystallization for irradiated PCL is between 65 and 54kJ/mol

Amino Acids in the Asteroidal Water-Bearing Salt Crystals Hosted in the Zag Meteorite

Science.gov (United States)

Chan, Q. H. S.; Zolensky, M. E.; Burton, A. S.; Locke, D. R.

2016-01-01

Solid evidence of liquid water in primitive meteorites is given by the ordinary chondrites H5 Monahans (1998) and H3-6 Zag. Aqueous fluid inclusion-bearing halite (NaCl) crystals were shown to be common in Zag. These striking blue/purple crystals (Figure 1), which gained the coloration from electron-trapping in the Cl-vacancies through exposure to ionizing radiation, were determined to be over 4.0-4.7 billion years old by I-Xe dating. The halite grains are present as discrete grains within an H-chondrite matrix with no evidence for aqueous alteration that indicates a xenogenic source, possibly ancient cryovolcanism. They were proposed to be formed from the cryovolcanic plumes on icy C-type asteroids (possibly Ceres), and were transferred and incorporated into the H chondrite parent asteroid following the eruption event(s). A unique aspect of these halites is that they contain abundant solid inclusions hosted within the halites alongside the water inclusions. The solid inclusions were suggested to be entrained within the fluid erupted from the cryovolcanic event(s), and were shown to be comprised of abundant organics. Spectrofluorometric study and Raman imaging of the halites have identified macromolecular carbon and aliphatic carbon compounds. In order to investigate the type of organics present in Zag and in particular within the fluid-bearing halites, we studied for the first time the amino acid contents of a selected mineral (halite) phase in a meteorite sample.

Measuring of nonlinearity of dye doped liquid crystals using of self phase modulation effect

International Nuclear Information System (INIS)

Abedi, M.; Jafari, A.; Tajalli, H.

2007-01-01

Self phase modulation in dye doped liquid crystals has investigated and the nonlinearity of dye doped liquid crystals is measured by this effect. The Self phase modulation effect can be used for producing optical micro rings that have many applications in photonics and laser industries.

Memory effect of polymer dispersed liquid crystal by hybridization with nanoclay

Directory of Open Access Journals (Sweden)

2010-01-01

Full Text Available The electro-optical performances of polymer dispersed liquid crystal (PDLC were investigated in the presence of organically modified clays. With the addition and increasing amount of modified clay, driving voltage and memory effect, viz. transparent state of the film after the electricity is off simultaneously increased due most likely to the increased viscosity. Among the two types of modifier, 4-(4-aminophenyl benzonitrile having greater chemical affinity with LC than hexylamine, gave finer dispersion of clay in liquid crystal, greater viscosity, larger driving voltage and response time, and greater memory effect.

Effect of electric and magnetic fields on current-voltage characteristics of a lyotropic liquid crystal

International Nuclear Information System (INIS)

Minasyants, M.Kh.; Badalyan, G. G.; Shahinian, A. A.

1997-01-01

The effect of electric and magnetic fields on current-voltage characteristics is studied for the lamellar phase in the lyotropic liquid-crystal sodium pentadecylsulfonate (SPDS)-water and lecithin-water systems. It has been found that the current-voltage characteristics of both systems have hysteresis. In the case of ionogenic SPDS, the hysteresis is formed due to ion current caused by the spatial reorientation of domains consisting of parallel lamellar fragments; in the case of lecithin, whose molecules contain dipoles, the hysteresis is formed due to the spatial reorientation of domains caused by the interaction of the resultant dipole moment of the domains with the electric field. It is shown that the introduction into lamellae of cetylpyridine bromide, which has an intrinsic magnetic moment, changes the resultant magnetic moment of domains and, thus, also the hysteresis loop of the current-voltage characteristic. The systems studied show the 'memory' effect with respect to both the electric and magnetic fields. Field-induced processes of domain reorientation were recorded by the method of small-angle x-ray scattering

The effect of exchange-correlation on change and stability of crystal structure

International Nuclear Information System (INIS)

Yazdani, A.; Niazi, M.; Alimardan, V.

2007-01-01

Since exchange interaction energy has effect on band structure via polarization of spin of free electron, then can directly effects formation crystal structure. Therefore exchange-correlation is able to have an effect on determination of crystal structure or its change and stability. This energy is subject to fluctuation range of electrons between conduction band and valance band or density of electrons which due to increase the entropy of system, via Gibss Energy .We investigated these factors: 1) Size of ions 2) Density of States 3) Range of inter atomic and pair-potential.

Effect of indium and antimony doping in SnS single crystals

Energy Technology Data Exchange (ETDEWEB)

Chaki, Sunil H., E-mail: sunilchaki@yahoo.co.in; Chaudhary, Mahesh D.; Deshpande, M.P.

2015-03-15

Highlights: • Single crystals growth of pure SnS, indium doped SnS and antimony doped SnS by direct vapour transport (DVT) technique. • Doping of In and Sb occurred in SnS single crystals by cation replacement. • The replacement mechanism ascertained by EDAX, XRD and substantiated by Raman spectra analysis. • Dopants concentration affects the optical energy bandgap. • Doping influences electrical transport properties. - Abstract: Single crystals of pure SnS, indium (In) doped SnS and antimony (Sb) doped SnS were grown by direct vapour transport (DVT) technique. Two doping concentrations of 5% and 15% each were employed for both In and Sb dopants. Thus in total five samples were studied viz., pure SnS (S1), 5% In doped SnS (S2), 15% In doped SnS (S3), 5% Sb doped SnS (S4) and 15% Sb doped SnS (S5). The grown single crystal samples were characterized by evaluating their surface microstructure, stoichiometric composition, crystal structure, Raman spectroscopy, optical and electrical transport properties using appropriate techniques. The d.c. electrical resistivity and thermoelectric power variations with temperature showed semiconducting and p-type nature of the as-grown single crystal samples. The room temperature Hall Effect measurements further substantiated the semiconducting and p-type nature of the as-grown single crystal samples. The obtained results are deliberated in detail.

Preparation of Three-Dimensional Photonic Crystals of Zirconia by Electrodeposition in a Colloidal Crystals Template

Directory of Open Access Journals (Sweden)

Lei Pan

2016-07-01

Full Text Available Three-dimensional photonic crystals of zirconia were prepared by electrodeposition in a colloidal crystals template following calcination at 500 °C. Scanning electron microscopy, thermogravimetric analysis, X-ray diffraction, and reflectance spectroscopy were employed to characterize the photonic crystals of zirconia. It was found that hydrated zirconium ions could penetrate the colloidal crystals template and reach the substrate easily by electrodeposition, which resulted in stronger bonding between the substrate and the as-deposited membrane. Moreover, the electrodeposited membrane had low water content, leading to a low amount of shrinkage during calcination. Both these properties could suppress detachment from the substrate upon removal of the colloidal crystals template. Therefore, the three-dimensional photonic crystals of zirconia synthesized in this study exhibited very good preservation of the ordered structures of the colloidal crystals template with a high density. A peak of reflection higher than 70% was formed in the reflectance spectrum because of the strong diffraction of the ordered structures.

Hydrothermally grown zeolite crystals

International Nuclear Information System (INIS)

Durrani, S.K.; Qureshi, A.H.; Hussain, M.A.; Qazi, N.K.

2009-01-01

The aluminium-deficient and ferrosilicate zeolite-type materials were synthesized by hydrothermal process at 150-170 degree C for various periods of time from the mixtures containing colloidal reactive silica, sodium aluminate, sodium hydroxide, iron nitrate and organic templates. Organic polycation templates were used as zeolite crystal shape modifiers to enhance relative growth rates. The template was almost completely removed from the zeolite specimens by calcination at 550 degree C for 8h in air. Simultaneous thermogravimetric (TG) and differential thermal analysis (DTA) was performed to study the removal of water molecules and the amount of organic template cations occluded inside the crystal pore of zeolite framework. The 12-13% weight loss in the range of (140-560 degree C) was associated with removal of the (C/sub 3/H/sub 7/)/sub 4/ N+ cation and water molecules. X-ray diffraction (XRD) analysis and scanning electron microscope (SEM) techniques were employed to study the structure, morphology and surface features of hydrothermally grown aluminium-deficient and ferrosilicate zeolite-type crystals. In order to elucidate the mode of zeolite crystallization the crystallinity and unit cell parameters of the materials were determined by XRD, which are the function of Al and Fe contents of zeolites. (author)

Mixing effects in the crystallization of supercooled quantum binary liquids

International Nuclear Information System (INIS)

Kühnel, M.; Kalinin, A.; Fernández, J. M.; Tejeda, G.; Moreno, E.; Montero, S.; Tramonto, F.; Galli, D. E.; Nava, M.; Grisenti, R. E.

2015-01-01

By means of Raman spectroscopy of liquid microjets, we have investigated the crystallization process of supercooled quantum liquid mixtures composed of parahydrogen (pH 2 ) or orthodeuterium (oD 2 ) diluted with small amounts of neon. We show that the introduction of the Ne impurities affects the crystallization kinetics in terms of a significant reduction of the measured pH 2 and oD 2 crystal growth rates, similarly to what found in our previous work on supercooled pH 2 -oD 2 liquid mixtures [Kühnel et al., Phys. Rev. B 89, 180201(R) (2014)]. Our experimental results, in combination with path-integral simulations of the supercooled liquid mixtures, suggest in particular a correlation between the measured growth rates and the ratio of the effective particle sizes originating from quantum delocalization effects. We further show that the crystalline structure of the mixtures is also affected to a large extent by the presence of the Ne impurities, which likely initiate the freezing process through the formation of Ne-rich crystallites

Mixing effects in the crystallization of supercooled quantum binary liquids

Energy Technology Data Exchange (ETDEWEB)

Kühnel, M.; Kalinin, A. [Institut für Kernphysik, J. W. Goethe-Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); Fernández, J. M.; Tejeda, G.; Moreno, E.; Montero, S. [Laboratory of Molecular Fluid Dynamics, Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid (Spain); Tramonto, F.; Galli, D. E. [Laboratorio di Calcolo Parallelo e di Simulazioni di Materia Condensata, Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Nava, M. [Laboratorio di Calcolo Parallelo e di Simulazioni di Materia Condensata, Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Computational Science, Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, CH-6900 Lugano (Switzerland); Grisenti, R. E. [Institut für Kernphysik, J. W. Goethe-Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); GSI - Helmholtzzentrum für Schwerionenforschung, Planckstr. 1, 64291 Darmstadt (Germany)

2015-08-14

By means of Raman spectroscopy of liquid microjets, we have investigated the crystallization process of supercooled quantum liquid mixtures composed of parahydrogen (pH{sub 2}) or orthodeuterium (oD{sub 2}) diluted with small amounts of neon. We show that the introduction of the Ne impurities affects the crystallization kinetics in terms of a significant reduction of the measured pH{sub 2} and oD{sub 2} crystal growth rates, similarly to what found in our previous work on supercooled pH{sub 2}-oD{sub 2} liquid mixtures [Kühnel et al., Phys. Rev. B 89, 180201(R) (2014)]. Our experimental results, in combination with path-integral simulations of the supercooled liquid mixtures, suggest in particular a correlation between the measured growth rates and the ratio of the effective particle sizes originating from quantum delocalization effects. We further show that the crystalline structure of the mixtures is also affected to a large extent by the presence of the Ne impurities, which likely initiate the freezing process through the formation of Ne-rich crystallites.

Bulk photovoltaic effect in LiTaO3 : Fe crystals

International Nuclear Information System (INIS)

Karabekyan, S.I.; Odoulov, S.G.

1991-01-01

The bulk photovoltaic effect that arises in non centrosymmetric crystals is determined by the third rank tensor. In this work four independent components of photovoltaic tensor, responsible for 'linear' photovoltaic currents, are measured for the first time for LiTaO 3 : Fe crystals in the range of photon energy from 2.07 to 3.88 eV. The observed correlation of the spectral dependences of β 15 and β 22 components indicates common origin of the transverse photovoltaic currents in this material

Selective filling of Photonic Crystal Fibres

DEFF Research Database (Denmark)

Nielsen, Kristian; Noordegraaf, Danny; Sørensen, Thorkild

2005-01-01

A model for calculating the time necessary for filling one or more specific holes in a photonic crystal fibre is made. This model is verified for water, and its enabling potential is illustrated by a polymer application. Selective filling of the core in an air-guide photonic crystal fibre...

Solubility of the Proteinogenic α-Amino Acids in Water, Ethanol, and Ethanol-Water Mixtures

NARCIS (Netherlands)

Bowden, Nathan A.; Sanders, Johan P.M.; Bruins, Marieke E.

2018-01-01

The addition of organic solvents to α-amino acids in aqueous solution could be an effective method in crystallization. We reviewed the available data on the solubility of α-amino acids in water, water-ethanol mixtures, and ethanol at 298.15 K and 0.1 MPa. The solubility of l-alanine, l-proline,

Effect of crystal alignment on the remanence of sintered NdFeB magnets

International Nuclear Information System (INIS)

Kawai, T.; Ma, B.M.; Sankar, S.G.; Wallace, W.E.

1990-01-01

Nd 15.4 Fe 77.8 B 6.8 magnets of various degrees of crystal alignment have been prepared by the conventional powder metallurgy technique. The alignment of these magnets have been determined by x-ray diffraction and fitting the standard deviation of a Gaussian distribution for the relative intensity versus the angle between the normals of (hkl) and the tetragonal c axis. The standard deviation is a good indicator for crystal alignment. An aligning field of 8 kOe is found to be essential to obtain a well-aligned NdFeB magnet. The remanence of sintered magnets is directly affected by the crystal alignment. Furthermore, the effect of crystal alignment on the remanence follows the theoretical prediction of the Stoner--Wohlfarth model. Below the spin reorientation temperature, the effect of crystal alignment on the shape of hysteresis loop becomes more significant. The remanences extrapolated from first and second quadrant of the hysteresis loops have been found to be consistent with the prediction of Stoner--Wohlfarth model

Control of crystal growth in water purification by directional freeze crystallization

Science.gov (United States)

Conlon, William M. (Inventor)

1996-01-01

A Directional Freeze Crystallization system employs an indirect contact heat exchanger to freeze a fraction of liquid to be purified. The unfrozen fraction is drained away and the purified frozen fraction is melted. The heat exchanger must be designed in accordance with a Growth Habit Index to achieve efficient separation of contaminants. If gases are dissolved in the liquid, the system must be pressurized.

Temperature-dependent μ-Raman investigation of struvite crystals.

Science.gov (United States)

Prywer, Jolanta; Kasprowicz, D; Runka, T

2016-04-05

The effect of temperature on the vibrational properties of struvite crystals grown from silica gels was systematically studied by μ-Raman spectroscopy. The time-dependent Raman spectra recorded in the process of long time annealing of struvite crystal at 353 K do not indicate structural changes in the struvite crystal with the time of annealing. The temperature-dependent Raman spectra recorded in the range 298-423 K reveal a phase transition in struvite at about 368 K. Above this characteristic temperature, some of bands assigned to vibrations of the PO4 and NH4 tetrahedra and water molecules observed in the Raman spectra in low temperatures (orthorhombic phase) change their spectral parameters or disappear, which indicates a transition to a higher symmetry structure of struvite in the range of high temperatures. Copyright © 2016 Elsevier B.V. All rights reserved.

The dissolution phenomenon of lysozyme crystals

Energy Technology Data Exchange (ETDEWEB)

Mueller, C.; Ulrich, J. [Martin Luther University Halle-Wittenberg, Department of Thermal Separation Processes, Centre of Engineering Science, Halle/Saale (Germany)

2012-02-15

Dissolution studies on lysozyme crystals were carried out since the observed dissolution pattern look different from non-protein dissolved crystals. The Tetragonal, High Temperature and Low Temperature Orthorhombic morphologies, crystallized using sodium chloride, were chosen and the influence of different pH, salt and protein concentration on their dissolution was investigated. An increase in pH and/or salt concentration can modify the dissolution behaviour. The pattern of the crystals during the dissolution process will, therefore, develop differently. Frequently a skeleton like crystal pattern followed by a falling apart of the crystals is observed. The multi-component character of the lysozyme crystal (protein, water, buffer, salt) as well as ''solvatomorphism'' gives first insights in the phenomena happening in the dissolution process. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Pressure effects on Al89La6Ni5 amorphous alloy crystallization

DEFF Research Database (Denmark)

Zhuang, Yanxin; Jiang, Jianzhong; Zhou, T. J.

2000-01-01

The pressure effect on the crystallization of the Al89La6Ni5 amorphous alloy has been investigated by in situ high-pressure and high-temperature x-ray powder diffraction using synchrotron radiation. The amorphous alloy crystallizes in two steps in the pressure range studied (0-4 GPa). The first p...

Annealing effect of H+ -implanted single crystal silicon on strain and crystal structure

International Nuclear Information System (INIS)

Duo Xinzhong; Liu Weili; Zhang Miao; Gao Jianxia; Fu Xiaorong; Lin Chenglu

2000-01-01

The work focuses on the rocking curves of H + -implanted single silicon crystal detected by Four-Crystal X-ray diffractometer. The samples were annealed under different temperatures. Lattice defect in H + -implanted silicon crystals was detected by Rutherford Backscattering Spectrometry. It appeared that H-related complex did not crush until annealing temperature reached about 400 degree C. At that temperature H 2 was formed, deflated in silicon lattice and strained the lattice. But defects did not come into being in large quantity. The lattice was undamaged. When annealing temperature reached 500 degree C, strain induced by H 2 deflation crashed the silicon lattice. A large number of defects were formed. At the same time bubbles in the crystal and blister/flaking on the surface could be observed

The opto-thermal effect on encapsulated cholesteric liquid crystals

Science.gov (United States)

Liu, Yu-Sung; Lin, Hui-Chi; Yang, Kin-Min

2017-12-01

In this study, we implemented a micro-encapsulated CLC electronic paper that is optically addressed and electrically erasable. The mechanism that forms spot diameters on the CLC films is discussed and verified through various experimental parameters, including the thickness of CLCs and Poly(2,3-dihydrothieno-1,4-dioxin)-poly(styrenesulfonate) (PEDOT:PSS), pump intensity, and pumping time. The opto-thermal effect, brought on by the PEDOT:PSS absorbing layer, causes the spot diameters on the cholesteric liquid crystal thin films to vary. According to our results, the spot diameter is larger for a sample with a thinner cholesteric liquid crystal layer with the same excitation conditions and same thickness of the PEDOT layer. The spot diameter is also larger for a sample with a thicker PEDOT under the same excitation conditions and same thickness of the cholesteric liquid crystal layer. We proposed a simple heat-conducting model to explain the experimental results, which qualitatively agree with this theoretical model.

Degradation of Polypropylene Membranes Applied in Membrane Distillation Crystallizer

Directory of Open Access Journals (Sweden)

Marek Gryta

2016-03-01

Full Text Available The studies on the resistance to degradation of capillary polypropylene membranes assembled in a membrane crystallizer were performed. The supersaturation state of salt was achieved by evaporation of water from the NaCl saturated solutions using membrane distillation process. A high feed temperature (363 K was used in order to enhance the degradation effects and to shorten the test times. Salt crystallization was carried out by the application of batch or fluidized bed crystallizer. A significant membrane scaling was observed regardless of the method of realized crystallization. The SEM-EDS, DSC, and FTIR methods were used for investigations of polypropylene degradation. The salt crystallization onto the membrane surface accelerated polypropylene degradation. Due to a polymer degradation, the presence of carbonyl groups on the membranes’ surface was identified. Besides the changes in the chemical structure a significant mechanical damage of the membranes, mainly caused by the internal scaling, was also found. As a result, the membranes were severely damaged after 150 h of process operation. A high level of salt rejection was maintained despite damage to the external membrane surface.

Phase diagram of supercooled water confined to hydrophilic nanopores

Science.gov (United States)

Limmer, David T.; Chandler, David

2012-07-01

We present a phase diagram for water confined to cylindrical silica nanopores in terms of pressure, temperature, and pore radius. The confining cylindrical wall is hydrophilic and disordered, which has a destabilizing effect on ordered water structure. The phase diagram for this class of systems is derived from general arguments, with parameters taken from experimental observations and computer simulations and with assumptions tested by computer simulation. Phase space divides into three regions: a single liquid, a crystal-like solid, and glass. For large pores, radii exceeding 1 nm, water exhibits liquid and crystal-like behaviors, with abrupt crossovers between these regimes. For small pore radii, crystal-like behavior is unstable and water remains amorphous for all non-zero temperatures. At low enough temperatures, these states are glasses. Several experimental results for supercooled water can be understood in terms of the phase diagram we present.

Pressure-induced melting of micellar crystal

DEFF Research Database (Denmark)

Mortensen, K.; Schwahn, D.; Janssen, S.

1993-01-01

that pressure improves the solvent quality of water, thus resulting in decomposition of the micelles and consequent melting of the micellar crystal. The combined pressure and temperature dependence reveals that in spite of the apparent increase of order on the 100 angstrom length scale upon increasing......Aqueous solutions of triblock copolymers of poly(ethylene oxide) and poly(propylene oxide) aggregate at elevated temperatures into micelles which for polymer concentrations greater-than-or-equal-to 20% make a hard sphere crystallization to a cubic micellar crystal. Structural studies show...... temperature (decreasing pressure) the overall entropy increases through the inverted micellar crystallization characteristic....

Effect of amaranth on dielectric, thermal and optical properties of KDP single crystal

Energy Technology Data Exchange (ETDEWEB)

Chandran, Senthilkumar; Paulraj, Rajesh, E-mail: rajeshp@ssn.edu.in; Ramasamy, P.

2017-01-15

Bulk single crystals of pure and amaranth doped KDP were grown using point seed technique. Effect of amaranth doping on KDP crystals was analyzed using powder XRD, thermal analysis (TG/DTA), dielectric, photoconductivity and etching studies. The phase purity and crystallinity of pure and dye doped crystals were confirmed by powder X-ray diffraction analysis. It is observed from TG-DTA analysis that the decomposition point decreased while doping with amaranth. Dielectric constant and loss increases with increasing temperatures. The photoconductivity decreases with the increase of amaranth concentration. - Highlights: • Pure and amaranth doped KDP crystals grown from point seed technique. • The addition of amaranth changes the decomposition points of dye doped KDP crystals. • Dielectric constant is increased. • It shows positive photoconductivity.

Crystal structure and vibrational spectra of piperazinium bis(4-hydroxybenzenesulphonate) molecular-ionic crystal

Science.gov (United States)

Marchewka, M. K.; Pietraszko, A.

2008-02-01

The piperazinium bis(4-hydroxybenzenesulphonate) crystallizes from water solution at room temperature in P2 1/ c space group of monoclinic system. The crystals are built up of doubly protonated piperazinium cations and ionized 4-hydroxybenzenesulphonate anions that interact through weak hydrogen bonds of O-H⋯O and N-H⋯O type. Mutual orientation of anions is determined by non-conventional hydrogen bonds of C-H⋯π type. Room temperature powder FT IR and FT Raman measurements were carried out. The vibrational spectra are in full agreement with the structure obtained from X-ray crystallography. The big single crystals of the title salt can be grown.

Investigation of PEG crystallization in frozen PEG-sucrose-water solutions. I. Characterization of the nonequilibrium behavior during freeze-thawing.

Science.gov (United States)

Bhatnagar, Bakul S; Martin, Susan M; Teagarden, Dirk L; Shalaev, Evgenyi Y; Suryanarayanan, Raj

2010-06-01

Our objective was to characterize the nonequilibrium thermal behavior of frozen aqueous solutions containing PEG and sucrose. Aqueous solutions of (i) sucrose (10%, w/v) with different concentrations of PEG (1-20%, w/v), and (ii) PEG (10%, w/v) with different concentrations of sucrose (2-20%, w/v), were cooled to -70 degrees C at 5 degrees C/min and heated to 25 degrees C at 2 degrees C/min in a differential scanning calorimeter. Annealing was performed at temperatures ranging from -50 to -20 degrees C for 2 or 6 h. Similar experiments were also performed in the low-temperature stage of a powder X-ray diffractometer. A limited number of additional DSC experiments were performed wherein the samples were cooled to -100 degrees C. In unannealed systems with a fixed sucrose concentration (10%, w/v), the T'g decreased from -35 to -48 degrees C when PEG concentration was increased from 1% to 20% (w/v). On annealing at -25 degrees C, PEG crystallized. This was evident from the increase in T'g and the appearance of a secondary melting endotherm in the DSC. Low-temperature XRD provided direct evidence of PEG crystallization. Annealing at temperatures crystallization and a devitrification event was observed above the T'g. In unannealed systems with a fixed PEG concentration (10%, w/v), the T'g increased from -50 to -40 degrees C when sucrose concentration was increased from 5% to 50%, w/v. As the annealing time increased (at -25 degrees C), the T'g approached that of a sucrose-water system, reflecting progressive PEG crystallization. A second glass transition at approximately -65 degrees C was evident in unannealed systems [10%, w/v sucrose and 10 (or 20%), w/v PEG] cooled to -100 degrees C. Investigation of the nonequilibrium behavior of frozen PEG-sucrose-water ternary system revealed phase separation in the freeze-concentrate. Annealing facilitated PEG crystallization. (c) 2010 Wiley-Liss, Inc. and the American Pharmacists Association

Field-controllable Spin-Hall Effect of Light in Optical Crystals: A Conoscopic Mueller Matrix Analysis.

Science.gov (United States)

Samlan, C T; Viswanathan, Nirmal K

2018-01-31

Electric-field applied perpendicular to the direction of propagation of paraxial beam through an optical crystal dynamically modifies the spin-orbit interaction (SOI), leading to the demonstration of controllable spin-Hall effect of light (SHEL). The electro- and piezo-optic effects of the crystal modifies the radially symmetric spatial variation in the fast-axis orientation of the crystal, resulting in a complex pattern with different topologies due to the symmetry-breaking effect of the applied field. This introduces spatially-varying Pancharatnam-Berry type geometric phase on to the paraxial beam of light, leading to the observation of SHEL in addition to the spin-to-vortex conversion. A wave-vector resolved conoscopic Mueller matrix measurement and analysis provides a first glimpse of the SHEL in the biaxial crystal, identified via the appearance of weak circular birefringence. The emergence of field-controllable fast-axis orientation of the crystal and the resulting SHEL provides a new degree of freedom for affecting and controlling the spin and orbital angular momentum of photons to unravel the rich underlying physics of optical crystals and aid in the development of active photonic spin-Hall devices.

A study on effective thermal conductivity of crystalline layers in layer melt crystallization

International Nuclear Information System (INIS)

Kim, Kwang-Joo; Ulrich, Joachim

2002-01-01

An effective thermal conductivity in layer melt crystallization was explored based on a model considering inclusions inside a crystalline layer during crystal growth, molecular diffusion of inclusions migration due to temperature gradient and heat generation due to recrystallization of inclusions in the crystalline layer. The effective thermal conductivity increases with time, in general, as a result of compactness of the layer. Lower cooling temperature, i.e. greater supercooling, results in a more porous layer with lower effective thermal conductivity. A similar result is seen for the parameter of melt temperature, but less pronounced. A high concentration of the melt results in a high effective thermal conductivity while low concentration yields low effective thermal conductivity. At higher impurity levels in the melt phase, constitutional supercooling becomes more pronounced and unstable growth morphologies occur more easily. Cooling rate and Reynolds number also affect the effective thermal conductivity. The predictions of an effective thermal conductivity agree with the experimental data. The model was applied to estimate the thermal conductivities of the crystalline layer during layer melt crystallization. (author)

Growth and characterization of Sm3+ doped cerium oxalate single crystals

Directory of Open Access Journals (Sweden)

Minu Mary C

2016-07-01

Full Text Available Single crystals of Sm3+ doped cerium oxalate decahydrate were synthesized using single diffusion gel technique and the conditions influencing the size, morphology, nucleation density and quality of the crystals were optimized. Highly transparent single crystals of average size 3 mm × 2 mm × 1 mm with well-defined hexagonal morphology were grown during a time period of two weeks. X-ray powder diffraction analysis revealed that the grown crystals crystallize in the monoclinic system with space group P21/c as identical with the pure cerium oxalate. The various functional groups of the oxalate ligand and the water of crystallization were identified by Fourier transform infrared spectroscopy. The photoluminescence spectrum of the Sm3+ doped cerium oxalate indicated that the Sm3+ ions are optically active in the cerium oxalate matrix. The crystal has a strong and efficient orange red emission with a wavelength peak at 595 nm and hence can be effectively used for optical amplification. Microhardness measurements of the crystal revealed that they belong to the soft material category.

Structure stability of HKUST-1 towards water and ethanol and their effect on its CO2 capture properties.

Science.gov (United States)

Álvarez, J Raziel; Sánchez-González, Elí; Pérez, Eric; Schneider-Revueltas, Emilia; Martínez, Ana; Tejeda-Cruz, Adriana; Islas-Jácome, Alejandro; González-Zamora, Eduardo; Ibarra, Ilich A

2017-07-18

Water and ethanol stabilities of the crystal structure of the Cu-based metal-organic framework (MOF) HKUST-1 have been investigated. Vapour (water and ethanol) sorption isotherms and cyclability were measured by a dynamic strategy. The ethanol sorption capacity of HKUST-1 at 303 K remained unchanged contrasting water sorption (which decreased along with the sorption experiment time). Considering the binding energy of each sorbate with the open Cu(ii) sites, obtained by the use of diffusion coefficients, we showed the superior crystal stability of the HKUST-1 framework towards ethanol. Finally, a small quantity of ethanol (pre-adsorbed) slightly enhanced CO 2 capture without crystal structure degradation.

Thermal transport in phononic crystals: The role of zone folding effect

Science.gov (United States)

Dechaumphai, Edward; Chen, Renkun

2012-04-01

Recent experiments [Yu et al., Nature Nanotech 5, 718 (2010); Tang et al., Nano Lett. 10, 4279 (2010); Hopkins etal., Nano Lett. 11, 107(2011)] on silicon based nanoscale phononic crystals demonstrated substantially reduced thermal conductivity compared to bulk Si, which cannot be explained by incoherent phonon boundary scattering within the Boltzmann Transport Equation (BTE). In this paper, partial coherent treatment of phonons, where phonons are regarded as either wave or particles depending on their frequencies, was considered. Phonons with mean free path smaller than the characteristic size of phononic crystals are treated as particles and the transport in this regime is modeled by BTE with phonon boundary scattering taken into account. On the other hand, phonons with mean free path longer than the characteristic size are treated as waves. In this regime, phonon dispersion relations are computed using the Finite Difference Time Domain (FDTD) method and are found to be modified due to the zone folding effect. The new phonon spectra are then used to compute phonon group velocity and density of states for thermal conductivity modeling. Our partial coherent model agrees well with the recent experimental results on in-plane thermal conductivity of phononic crystals. Our study highlights the importance of zone folding effect on thermal transport in phononic crystals.

Lattice effects in HoVo(3) single crystal

NARCIS (Netherlands)

Sikora, M.; Marquina, C.; Ibarra, M. R.; Nugroho, A. A.; Palstra, T. T. M.

We report the study of lattice effects in the Mott insulator HoVO3 performed by means of linear thermal expansion on a single crystal in the temperature range 10-290 K. The holmium orthovanadate HoVO3 reveals gradual orbital ordering (OO) below T-OO = 200K and orders antiferromagnetically at T-N =

Effect of antimony incorporation on structural properties of CuInS2 crystals

International Nuclear Information System (INIS)

Ben Rabeh, M.; Chaglabou, N.; Kanzari, M.

2010-01-01

CuInS 2 (CIS) single crystals doped with 1, 2, 3 and 4 atomic percent (at.%) of antimony (Sb) were grown by the horizontal Bridgman method. The effect of Sb doping on the structural properties of CIS crystal was studied by means of X-ray diffraction (XRD), energy dispersive X-ray analysis (EDAX), scanning electron microscopy (SEM) and PL measurements. X-ray diffraction data suggests that the doping of Sb in the CIS single crystals does not affect the tetragonal (chalcopyrite) crystal structure and exhibited a (1 1 2) preferred orientation. In addition, with increasing Sb concentration, the X-ray diffraction analysis show that Sb doped CIS crystals are more crystallized and the diffraction peaks of the CuInS 2 phase were more pronounced in particular the (1 1 2) plane. EDAX study revealed that Sb atoms can occupy the indium site and/or occupying the sulfur site to make an acceptor. PL spectra of undoped and Sb doped CIS crystals show two emission peaks at 1.52 and 1.62 eV, respectively which decreased with increasing atomic percent antimony. Sb doped CIS crystals show p-type conductivity.

Strong crystal field effect in ? - optical absorption study

Science.gov (United States)

Gajek, Z.; Krupa, J. C.

1998-12-01

=-1 Results of optical absorption measurements in polarized light on tetravalent neptunium diluted in a 0953-8984/10/50/021/img6 single crystal are reported. The recorded spectra are complex, pointing to the presence of an 0953-8984/10/50/021/img7 impurity. The electronic transitions assigned to the 0953-8984/10/50/021/img8 ion are interpreted in terms of the usual model, following the actual understanding of the neptunium electronic structure and independent theoretical predictions. R.m.s. deviations of the order of 0953-8984/10/50/021/img9 have been obtained for 42 levels fitted with 11 free parameters. The crystal field effect resulting from the fitting is considerably larger than that observed for the uranium ion in the same host.

Effect of chemical and isotope substitution in LiH crystals on polariton emission

International Nuclear Information System (INIS)

Plekhanov, V.G.

1994-01-01

Measurements of fine structure of phonon-free line of free exciton radiation in mixed crystals LiH x F 1-x (o x D 1-x (O x F 1-x crystals a sharp increase in the intensity of phonon-free line of free exciton radiation as compared with its LO repetitions is observed. The experimental results suggest manifestation of polariton effects in mixed crystals produced on the basis of lithium hydride. 17 refs., 2 figs

Calcium Carbonate Crystal Growth in Porous Media, in the presence of Water Miscible and Non-Miscible Organic Fluids

Science.gov (United States)

Jaho, Sofia; Sygouni, Varvara; Paraskeva, Christakis A.

2015-04-01

The deposition of sparingly soluble salts (scaling) within porous media is a major problem encountered in many industrial and environmental applications. In the oil industry scaling causes severe operational malfunctions and, therefore, increasing the total operating and maintenance cost [1]. The most common types of sparingly soluble salts located in oil fields include carbonate and sulfate salts of calcium, strondium and barium[1,2]. Multiple phase flow and tubing surface properties are some of the factors affecting scale formation [3]. The main purpose of the present work was the investigation of the precipitation mechanisms of calcium carbonate (CaCO3) through in situ mixing of two soluble salt solutions in a flow granular medium, in the presence of water miscible organic fluid (ethylene glycol) or non-miscible organic fluid (n-dodecane). All series of experiments were carried out in a two dimensional porous medium made of Plexiglas. For all solutions used in the experiments, the contact angles with the surface of the porous medium and the interfacial tensions were measured. During the experiments, the calcium carbonate crystal growth was continuously monitored and recorded through an optical microscope equipped with a digital programmed video camera. The snap-shots were taken within specific time intervals and their detailed procession gave information concerning the crystal growth rate and kinetics. The pH of the effluent was measured and fluids samples were collected for calcium analysis using Atomic Absorption Spectroscopy (AAS). In all experiments effluent calcium concentration decreased as a function of time, suggesting that CaCO3 precipitation took place inside the porous medium. Crystals of the precipitated salt were identified using Infrared Spectroscopy (IR) and the morphology of the crystals was examined using Scanning Electron Microscopy (SEM). The induction time for precipitation of CaCO3 crystals in the presence of n-dodecane was significantly

Longitudinal and transverse pyroelectric effects in a chiral ferroelectric liquid crystal

Energy Technology Data Exchange (ETDEWEB)

Yablonskii, S. V., E-mail: yablonskii2005@yandex.ru; Bondarchuk, V. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Soto-Bustamante, E. A.; Romero-Hasler, P. N. [Universidad de Chile (Chile); Ozaki, M. [Osaka University, Department of Electronic Engineering, Faculty of Engineering (Japan); Yoshino, K. [Shimane Institute for Industrial Technology (Japan)

2015-04-15

In this study, we compare the results of experimental investigations of longitudinal and transverse pyroelectric effects in a chiral ferroelectric crystal. In a transverse geometry, we studied freely suspended liquid-crystal films. In both geometries, samples exhibited bistability, demonstrating stable pyroelectric signals of different polarities at zero voltage. It is shown that a bistable cell based on a freely suspended film requires 40 times less energy expenditures as compared to the conventional sandwich-type cell.

Studying The Effect of Various Parameters on The Characteristics of The Dielectric and Metallic Photonic Crystals

International Nuclear Information System (INIS)

Ismail, M.; Badawy, Z.M.; Abdel-Rahman, E.

2015-01-01

Transmittance characteristics of two types of photonic crystals have been analysed using the transfer matrix method. The first one is the dielectric photonic crystal (DPC), and the second is the metallic photonic crystal (MPC). The effect of the most parameters on the transmission spectra of the dielectric and metallic photonic crystals has been studied

Graphene-based photonic crystal

International Nuclear Information System (INIS)

Berman, Oleg L.; Boyko, Vladimir S.; Kezerashvili, Roman Ya.; Kolesnikov, Anton A.; Lozovik, Yurii E.

2010-01-01

A novel type of photonic crystal formed by embedding a periodic array of constituent stacks of alternating graphene and dielectric discs into a background dielectric medium is proposed. The photonic band structure and transmittance of such photonic crystal are calculated. The graphene-based photonic crystals can be used effectively as the frequency filters and waveguides for the far infrared region of electromagnetic spectrum. Due to substantial suppression of absorption of low-frequency radiation in doped graphene the damping and skin effect in the photonic crystal are also suppressed. The advantages of the graphene-based photonic crystal are discussed.

Two-Stage Crystallizer Design for High Loading of Poorly Water-Soluble Pharmaceuticals in Porous Silica Matrices

OpenAIRE

Leia Dwyer; Samir Kulkarni; Luzdary Ruelas; Allan Myerson

2017-01-01

While porous silica supports have been previously studied as carriers for nanocrystalline forms of poorly water-soluble active pharmaceutical ingredients (APIs), increasing the loading of API in these matrices is of great importance if these carriers are to be used in drug formulations. A dual-stage mixed-suspension, mixed-product removal (MSMPR) crystallizer was designed in which the poorly soluble API fenofibrate was loaded into the porous matrices of pore sizes 35 nm-300 nm in the first st...

Effect of elastic anisotropy of crystal grain on stress intensity factor

Energy Technology Data Exchange (ETDEWEB)

Kamaya, Masayuki [Inst. of Nuclear Safety System Inc., Mihama, Fukui (Japan)

2002-09-01

The stress intensity factor (SIF) is used widely for evaluating integrity of cracked components. Usually, the SIF obtained under isotropic elastic conditions is used for the evaluations. Although, macroscopic elastic behaviors of polycrystal materials can be considered isotropic, each crystal has anisotropic elastic properties. This implies that if the crack size is small and the influence of anisotropic elastic properties on the stress around cracks is significant, the SIF evaluated under anisotropic elastic conditions may differ from the SIF obtained under isotropic elastic conditions. In the present study, the effect of anisotropic elasticity on the SIF was evaluated by using the finite element analysis (FEA). First, the SIF of semi-circular cracks located in a single crystal was evaluated. It was found that the SIF is affected crystal orientation. Secondly, FEA using a polycrystal model was performed. It was found that the change in the SIF was caused by crack tip crystal orientation as well as the deformation constraint from neighboring crystals. Finally, the statistical tendency of change in the SIF caused by the anisotropic elastic properties and the relationship with crack size were examined. The influence of the local SIF on crack growth behavior is also discussed. (author)

Effect of elastic anisotropy of crystal grain on stress intensity factor

International Nuclear Information System (INIS)

Kamaya, Masayuki

2002-01-01

The stress intensity factor (SIF) is used widely for evaluating integrity of cracked components. Usually, the SIF obtained under isotropic elastic conditions is used for the evaluations. Although, macroscopic elastic behaviors of polycrystal materials can be considered isotropic, each crystal has anisotropic elastic properties. This implies that if the crack size is small and the influence of anisotropic elastic properties on the stress around cracks is significant, the SIF evaluated under anisotropic elastic conditions may differ from the SIF obtained under isotropic elastic conditions. In the present study, the effect of anisotropic elasticity on the SIF was evaluated by using the finite element analysis (FEA). First, the SIF of semi-circular cracks located in a single crystal was evaluated. It was found that the SIF is affected crystal orientation. Secondly, FEA using a polycrystal model was performed. It was found that the change in the SIF was caused by crack tip crystal orientation as well as the deformation constraint from neighboring crystals. Finally, the statistical tendency of change in the SIF caused by the anisotropic elastic properties and the relationship with crack size were examined. The influence of the local SIF on crack growth behavior is also discussed. (author)

Systematic replacement of lysine with glutamine and alanine in Escherichia coli malate synthase G: effect on crystallization

International Nuclear Information System (INIS)

Anstrom, David M.; Colip, Leslie; Moshofsky, Brian; Hatcher, Eric; Remington, S. James

2005-01-01

Alanine and glutamine mutations were made to the same 15 lysine positions on the surface of E. coli malate synthase G and the impact on crystallization observed. The results support lysine replacement for improvement of crystallization and provide insight into site selection and type of amino-acid replacement. Two proposals recommend substitution of surface lysine residues as a means to improve the quality of protein crystals. In proposal I, substitution of lysine by alanine has been suggested to improve crystallization by reducing the entropic cost of ordering flexible side chains at crystal contacts. In proposal II, substitution of lysine by residues more commonly found in crystal contacts, such as glutamine, has been proposed to improve crystallization. 15 lysine residues on the surface of Escherichia coli malate synthase G, distributed over a variety of secondary structures, were individually mutated to both alanine and glutamine. For 28 variants, detailed studies of the effect on enzymatic activity and crystallization were conducted. This has permitted direct comparison of the relative effects of the two types of mutations. While none of the variants produced crystals suitable for X-ray structural determination, small crystals were obtained in a wide variety of conditions, in support of the general approach. Glutamine substitutions were found to be more effective than alanine in producing crystals, in support of proposal II. Secondary structure at the site of mutation does not appear to play a major role in determining the rate of success

Giant photonic Hall effect in magnetophotonic crystals.

Science.gov (United States)

Merzlikin, A M; Vinogradov, A P; Inoue, M; Granovsky, A B

2005-10-01

We have considered a simple, square, two-dimensional (2D) PC built of a magneto-optic matrix with square holes. It is shown that using such a magnetophotonic crystal it is possible to deflect a light beam at very large angles by applying a nonzero external magnetic field. The effect is called the giant photonic Hall effect (GPHE) or the magnetic superprism effect. The GPHE is based on magneto-optical properties, as is the photonic Hall effect [B. A. van Tiggelen and G. L. J. A. Rikken, in, edited by V. M. Shalaev (Springer-Verlag, Berlin, 2002), p. 275]; however GPHE is not caused by asymmetrical light scattering but rather by the influence of an external magnetic field on the photonic band structure.

Effects of Gravity on Supercritical Water Oxidation (SCWO) Processes

Science.gov (United States)

Hegde, Uday; Hicks, Michael

2013-01-01

The effects of gravity on the fluid mechanics of supercritical water jets are being studied at NASA to develop a better understanding of flow behaviors for purposes of advancing supercritical water oxidation (SCWO) technologies for applications in reduced gravity environments. These studies provide guidance for the development of future SCWO experiments in new experimental platforms that will extend the current operational range of the DECLIC (Device for the Study of Critical Liquids and Crystallization) Facility on board the International Space Station (ISS). The hydrodynamics of supercritical fluid jets is one of the basic unit processes of a SCWO reactor. These hydrodynamics are often complicated by significant changes in the thermo-physical properties that govern flow behavior (e.g., viscosity, thermal conductivity, specific heat, compressibility, etc), particularly when fluids transition from sub-critical to supercritical conditions. Experiments were conducted in a 150 ml reactor cell under constant pressure with water injections at various flow rates. Flow configurations included supercritical jets injected into either sub-critical or supercritical water. Profound gravitational influences were observed, particularly in the transition to turbulence, for the flow conditions under study. These results will be presented and the parameters of the flow that control jet behavior will be examined and discussed.

Effect of amino acids and amino acid derivatives on crystallization of hemoglobin and ribonuclease A

International Nuclear Information System (INIS)

Ito, Len; Kobayashi, Toyoaki; Shiraki, Kentaro; Yamaguchi, Hiroshi

2008-01-01

The effect of the addition of amino acids and amino acid derivatives on the crystallization of hemoglobin and ribonuclease A has been evaluated. The results showed that certain types of additives expand the concentration conditions in which crystals are formed. Determination of the appropriate conditions for protein crystallization remains a highly empirical process. Preventing protein aggregation is necessary for the formation of single crystals under aggregation-prone solution conditions. Because many amino acids and amino acid derivatives offer a unique combination of solubility and stabilizing properties, they open new avenues into the field of protein aggregation research. The use of amino acids and amino acid derivatives can potentially influence processes such as heat treatment and refolding reactions. The effect of the addition of several amino acids, such as lysine, and several amino acid derivatives, such as glycine ethyl ester and glycine amide, on the crystallization of equine hemoglobin and bovine pancreatic ribonuclease A has been examined. The addition of these amino acids and amino acid derivatives expanded the range of precipitant concentration in which crystals formed without aggregation. The addition of such additives appears to promote the crystallization of proteins

Effect of amino acids and amino acid derivatives on crystallization of hemoglobin and ribonuclease A

Energy Technology Data Exchange (ETDEWEB)

Ito, Len, E-mail: len@ksc.kwansei.ac.jp; Kobayashi, Toyoaki [School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337 (Japan); Shiraki, Kentaro [Institute of Applied Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573 (Japan); Yamaguchi, Hiroshi [School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337 (Japan)

2008-05-01

The effect of the addition of amino acids and amino acid derivatives on the crystallization of hemoglobin and ribonuclease A has been evaluated. The results showed that certain types of additives expand the concentration conditions in which crystals are formed. Determination of the appropriate conditions for protein crystallization remains a highly empirical process. Preventing protein aggregation is necessary for the formation of single crystals under aggregation-prone solution conditions. Because many amino acids and amino acid derivatives offer a unique combination of solubility and stabilizing properties, they open new avenues into the field of protein aggregation research. The use of amino acids and amino acid derivatives can potentially influence processes such as heat treatment and refolding reactions. The effect of the addition of several amino acids, such as lysine, and several amino acid derivatives, such as glycine ethyl ester and glycine amide, on the crystallization of equine hemoglobin and bovine pancreatic ribonuclease A has been examined. The addition of these amino acids and amino acid derivatives expanded the range of precipitant concentration in which crystals formed without aggregation. The addition of such additives appears to promote the crystallization of proteins.

Gamma radiation effects on photorefractive and photoelectric properties of lithium niobate crystals

Energy Technology Data Exchange (ETDEWEB)

Vartanyan, Eh.S.; Ovsepyan, R.K.; Pogosyan, A.R.; Timofeev, A.L.

1984-08-01

Investigations into the gamma radiation effect on the photorefractive aned photoelectric properties of lithium niobate crystals have been carried out for the first time. Gamma irradiation has been found to lead to an increase in the photorefractive sensitivity. The effect of optical decoloration has been discovered for the first time along with photorelaxation currents resulting from radiation center decay under the action of light. It has been shown that an increase of photorefractive sensitivity in gamma-irradiated lithium niobate crystals is caused by a new photorefraction mechanism - photorelaxation currents.

Effect of additionally introduced Zn and Eu dopants on the photoluminescence spectra of Er-doped GaN crystals

International Nuclear Information System (INIS)

Mezdrogina, M.M.; Krivolapchuk, V.V.; Petrov, V.N.; Rodin, S.N.; Cherenkov, A.V.

2006-01-01

It is shown that the effect of dopants on the photoluminescence spectrum depends on the conductivity type of the initial GaN crystals. The sensitizing effect of emission is observed in wurtzite p-GaN crystals doped with Er. The same effect was previously observed in such crystals doped with Eu and Zn. In n-type GaN crystals sequentially doped with Eu, Zn, and Er, the emission is observed in visible and infrared ranges of the photoluminescence spectrum [ru

Effect of γ-(Fe,Ni) crystal-size stabilization in Fe-Ni-B amorphous ribbon

Science.gov (United States)

Gorshenkov, M. V.; Glezer, A. M.; Korchuganova, O. A.; Aleev, A. A.; Shurygina, N. A.

2017-02-01

The effect of stabilizing crystal size in a melt-quenched amorphous Fe50Ni33B17 ribbon is described upon crystallization in a temperature range of 360-400°C. The shape, size, volume fraction, and volume density have been investigated by transmission electron microscopy and X-ray diffraction methods. The formation of an amorphous layer of the Fe50Ni29B21 compound was found by means of atomic-probe tomography at the boundary of the crystallite-amorphous phase. The stabilization of crystal sizes during annealing is due to the formation of a barrier amorphous layer that has a crystallization temperature that exceeds the crystallization temperature of the matrix amorphous alloy.

Plasticity size effects in voided crystals

DEFF Research Database (Denmark)

Hussein, M. I.; Borg, Ulrik; Niordson, Christian Frithiof

singularities in an elastic material. The lattice resistance to dislocation motion, dislocation nucleation, dislocation interaction with obstacles and annihilation are incorporated through a set of constitutive rules. Over the range of length scales investigated, both the discrete dislocation and strain......The shear and equi-biaxial straining responses of periodic voided single crystals are analysed using discrete dislocation plasticity and a continuum strain gradient crystal plasticity theory. In the discrete dislocation formulation the dislocations are all of edge character and are modelled as line...... predictions of the two formulations for all crystal types and void volume fractions considered when the material length scale in the non-local plasticity model chosen to be $0.325\\mu m$ (around ten times the slip plane spacing in the discrete dislocation models)....

Plasticity size effects in voided crystals

DEFF Research Database (Denmark)

Hussein, M.I.; Borg, Ulrik; Niordson, Christian Frithiof

2008-01-01

as line singularities in an elastic material. The lattice resistance to dislocation motion, dislocation nucleation, dislocation interaction with obstacles and annihilation are incorporated through a set of constitutive rules. Over the range of length scales investigated, both the discrete dislocation......The shear and equi-biaxial straining responses of periodic voided single crystals are analysed using discrete dislocation plasticity and a continuum strain gradient crystal plasticity theory. In the discrete dislocation formulation, the dislocations are all of edge character and are modelled...... between predictions of the two formulations for all crystal types and void volume fractions considered when the material length scale in the non-local plasticity model is chosen to be 0.325 mu m (about 10 times the slip plane spacing in the discrete dislocation models)....

EFFECT OF CONTINUOUS CRYSTALLIZER PERFORMANCE ON STRUVITE CRYSTALS PRODUCED IN REACTION CRYSTALLIZATION FROM SOLUTIONS CONTAINING PHOSPHATE(V AND ZINC(II IONS

Directory of Open Access Journals (Sweden)

N. Hutnik

Full Text Available Abstract Continuous reaction crystallization of struvite from aqueous solutions containing phosphate(V (1.0 mass % and zinc(II ions (from 0.1 to 2.0 mg kg-1 in a continuous DT MSMPR crystallizer was investigated. The influence of pH (9 - 11 and mean residence time (900 - 3600 s on the product characteristics and its chemical composition was tested. Struvite crystals of mean size 22-41 µm were produced. An increase in Zn2+ concentration decreased the mean crystal size and homogeneity. An elevation of the pH also decreased the struvite crystal size. Augmenting the mean residence time influenced product quality advantageously. Coexistence of struvite and Zn(OH2 in the product was confirmed analytically.

The Faraday effect in two-dimensional magneto-photonic crystals

International Nuclear Information System (INIS)

Merzlikin, A.M.; Vinogradov, A.P.; Inoue, M.; Khanikaev, A.B.; Granovsky, A.B.

2006-01-01

The necessary conditions for the observation of the Faraday effect in 2D magneto-photonic crystals are discussed. It is found. that the Faraday effect may be observed in the directions where any couple of the wave vectors of the harmonics consisting the Bloch waves of TE and TM solutions in zero magnetic field are identical. This direction corresponds neither to Faraday nor to Voigt geometry

The Faraday effect in two-dimensional magneto-photonic crystals

Energy Technology Data Exchange (ETDEWEB)

Merzlikin, A.M. [Institute for Theoretical and Applied Electromagnetism, OIVT, Russian Academy of Sciences, Izhorskay 13/19, Moscow 125412 (Russian Federation)]. E-mail: merzlikin_a@mail.ru; Vinogradov, A.P. [Institute for Theoretical and Applied Electromagnetism, OIVT, Russian Academy of Sciences, Izhorskay 13/19, Moscow 125412 (Russian Federation); Inoue, M. [Department of Electrical and Electronic Engineering, Toyohashi University of Technology, 1-1, Hibari-Ga-Oka, Tempaku, Toyohashi 441-8580 (Japan); Khanikaev, A.B. [Department of Electrical and Electronic Engineering, Toyohashi University of Technology, 1-1, Hibari-Ga-Oka, Tempaku, Toyohashi 441-8580 (Japan); Granovsky, A.B. [Faculty of Physics, Lomonosov Moscow State University, Leninski Gory, Moscow 119992 (Russian Federation)

2006-05-15

The necessary conditions for the observation of the Faraday effect in 2D magneto-photonic crystals are discussed. It is found. that the Faraday effect may be observed in the directions where any couple of the wave vectors of the harmonics consisting the Bloch waves of TE and TM solutions in zero magnetic field are identical. This direction corresponds neither to Faraday nor to Voigt geometry.

Effects of Thermal Exposure on Structures of DD6 Single Crystal Superalloy with Thermal Barrier Coatings

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DONG Jianmin

2016-10-01

Full Text Available In order to investigate the effect of water grit-blasting and high temperature thermal exposure on the microstructures of DD6 alloy with TBCs, DD6 single crystal superalloy specimens were water grit-blasted with 0.3 MPa pressure, then the specimens were coated with thermal barrier coatings by electron beam physical vapor deposition (EB-PVD. Specimens with TBCs were exposed at 1100℃ for 50 and 100 hours in the air respectively, and then these specimens were subjected to stress-rupture tests under the condition of 1100℃/130 MPa. The results show that grit-blasting doesn't lead into the recrystallization, thermal exposure can induce element interdiffusion between the bond coat and alloy substrate, the residual stress and element diffusion lead into the changes of γ' phase coarsing direction. After stress rupture tests, the secondary reaction zone emerges into a local area.

Shear effects on crystallization behaviors and structure transitions of isotactic poly-1-butene

DEFF Research Database (Denmark)

Li, Jingqing; Guan, Peipei; Zhang, Yao

2014-01-01

Different melt pre-shear conditions were applied to isotactic poly-1-butene (iP-1-B) and the effect on the crystallization behaviors and the crystalline structure transitions of iP-1-B were investigated. The polarized optical microscope observations during isothermal crystallization process...... revealed that the applied melt pre-shear within the experimental range could enhance the nucleation of crystal II and accelerate the diameter growth of the formed spherulites. If the applied melt pre-shear rate was large enough, Shish-Kebabs structure could be formed. After the isothermal crystallization...... was formed in the melt pre-sheared iP-1-B samples. Further investigations were applied with synchrotron radiation instruments. Wide angle X-ray scattering (WAXS) and small angle X-ray scattering (SAXS) after the crystal transition showed that the applied melt pre-shear could result in orientated fine...

Molecular Weight and Crystallization Temperature Effects on Poly(ethylene terephthalate (PET Homopolymers, an Isothermal Crystallization Analysis

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Leonardo A. Baldenegro-Perez

2014-02-01

Full Text Available The isothermal crystallization of poly(ethylene terephthalate (PET homopolymers with different molecular weight was studied in a wide temperature range (140–230 °C using different experimental techniques. Three different morphological regions, labeled r1, r2 and r3, were distinguished as a function of crystallization temperature (Tc. In r1 (low Tc crystallized samples were characterized by a low crystalline degree with a small spherulite texture containing thin crystals. In r2 (intermediate Tc samples showed medium size spherulites composed of two distinct crystalline families (thin and thick crystals. In this temperature range, the crystallization exhibited a maximum value and it was associated with a high content of secondary crystals. In r3 (high Tc, samples presented considerable amorphous zones and regions consisting of oversized spherulites containing only thick crystals. Time-resolved wide-angle X-ray diffraction measurements, using synchrotron radiation, indicated a rapid evolution of the crystalline degree within the second region, in contrast with the quite slow evolution observed in the third region. On the other hand, by small-angle X-ray scattering (SAXS and time-resolved SAXS experiment, it was found that the long period (L as well as the lamellar thickness (lc increase as a function of Tc, corroborating the formation of the thickest crystals in the third region. From all these observations, a morphological model was proposed for each region.

Structure of a second crystal form of Bence-Jones protein Loc: Strikingly different domain associations in two crystal forms of a single protein

International Nuclear Information System (INIS)

Schiffer, M.; Ainsworth, C.; Xu, Z.B.; Carperos, W.; Olsen, K.; Solomon, A.; Stevens, F.J.; Chang, C.H.

1989-01-01

The authors have determined the structure of the immunoglobulin light-chain dimer Loc in a second crystal form that was grown from distilled water. The crystal structure was determined to 2.8-angstrom resolution; the R factor is 0.22. The two variable domains are related by local 2-fold axes and form an antigen binding pocket. The variable domain-variable domain interaction observed in this crystal form differs from the one exhibited by the protein when crystallized from ammonium sulfate in which the two variable domains formed a protrusion. The structure attained in the distilled water crystals is similar to, but not identical with, the one observed for the Mcg light-chain dimer in crystals grown from ammonium sulfate. Thus, two strikingly different structures were attained by this multisubunit protein in crystals grown under two different, commonly used, crystallization techniques. The quaternary interactions exhibited by the protein in the two crystal forms are sufficiently different to suggest fundamentally different interpretations of the structural basis for the function of this protein. This observation may have general implications regarding the use of single crystallographic determinations for detailed identification of structural and functional relationships. On the other hand, proteins whose structures can be altered by manipulation of crystallization conditions may provide useful systems for study of fundamental structural chemistry

The effect of Cu{sup II} ions in L-asparagine single crystals

Energy Technology Data Exchange (ETDEWEB)

Santana, Ricardo C., E-mail: santana@ufg.br; Gontijo, Henrique O.; Menezes, Arthur F.; Martins, José A.; Carvalho, Jesiel F., E-mail: carvalho@ufg.br

2016-11-15

We report the synthesis, crystal growth, and spectroscopic characterization of L-asparagine monohydrate (LAM) single crystals doped with CuII. The crystals were successfully grown by slow cooling from a supersaturated aqueous solution up to size of 16×12×2 mm{sup 3};the effect of copper impurities in the crystals morphology was discussed. Electron Paramagnetic Resonance (EPR) was used to calculate the g and hyperfine coupling (A) tensors of the CuII ions (g{sub 1}=2.044, g{sub 2}=2.105, g{sub 3}=2.383and A{sub 1}≈0, A{sub 2}=35, A{sub 3}=108 Gauss). The EPR spectra for certain orientations of the magnetic field suggest that CuII ions are coordinated to two {sup 14}N atoms. Correlating the EPR and optical absorption results, the crystal field and the Cu{sup II} orbital bond parameters were calculated. The results indicate that the paramagnetic center occupies interstitial rhombic distorted site and the ground orbital state for the unpaired electron is the d(x{sup 2}-y{sup 2}).

Self-assembly morphology effects on the crystallization of semicrystalline block copolymer thin film

Science.gov (United States)

Wei, Yuhan; Pan, Caiyuan; Li, Binyao; Han, Yanchun

2007-03-01

Self-assembly morphology effects on the crystalline behavior of asymmetric semicrystalline block copolymer polystyrene-block-poly(L-lactic acid) thin film were investigated. Firstly, a series of distinctive self-assembly aggregates, from spherical to ellipsoid and rhombic lamellar micelles (two different kinds of rhombic micelles, defined as rhomb 1 and rhomb 2) was prepared by means of promoting the solvent selectivity. Then, the effects of these self-assembly aggregates on crystallization at the early stage of film evolution were investigated by in situ hot stage atomic force microscopy. Heterogeneous nucleation initiated from the spherical micelles and dendrites with flat on crystals appeared with increasing temperature. At high temperature, protruding structures were observed due to the thickening of the flat-on crystals and finally more thermodynamically stable crystallization formed. Annealing the rhombic lamellar micelles resulted in different phenomena. Turtle-shell-like crystalline structure initiated from the periphery of the rhombic micelle 1 and spread over the whole film surface in the presence of mostly noncrystalline domain interior. Erosion and small hole appeared at the surface of the rhombic lamellar micelle 2; no crystallization like that in rhomb 1 occurred. It indicated that the chain-folding degree was different in these two micelles, which resulted in different annealing behaviors.

Some effects of ice crystals on the FSSP measurements in mixed phase clouds

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G. Febvre

2012-10-01

Full Text Available In this paper, we show that in mixed phase clouds, the presence of ice crystals may induce wrong FSSP 100 measurements interpretation especially in terms of particle size and subsequent bulk parameters. The presence of ice crystals is generally revealed by a bimodal feature of the particle size distribution (PSD. The combined measurements of the FSSP-100 and the Polar Nephelometer give a coherent description of the effect of the ice crystals on the FSSP-100 response. The FSSP-100 particle size distributions are characterized by a bimodal shape with a second mode peaked between 25 and 35 μm related to ice crystals. This feature is observed with the FSSP-100 at airspeed up to 200 m s⁻¹ and with the FSSP-300 series. In order to assess the size calibration for clouds of ice crystals the response of the FSSP-100 probe has been numerically simulated using a light scattering model of randomly oriented hexagonal ice particles and assuming both smooth and rough crystal surfaces. The results suggest that the second mode, measured between 25 μm and 35 μm, does not necessarily represent true size responses but corresponds to bigger aspherical ice particles. According to simulation results, the sizing understatement would be neglected in the rough case but would be significant with the smooth case. Qualitatively, the Polar Nephelometer phase function suggests that the rough case is the more suitable to describe real crystals. Quantitatively, however, it is difficult to conclude. A review is made to explore different hypotheses explaining the occurrence of the second mode. However, previous cloud in situ measurements suggest that the FSSP-100 secondary mode, peaked in the range 25–35 μm, is likely to be due to the shattering of large ice crystals on the probe inlet. This finding is supported by the rather good relationship between the concentration of particles larger than 20 μm (hypothesized to be ice shattered-fragments measured by the

Dissolution enhancement of Deflazacort using hollow crystals prepared by antisolvent crystallization process.

Science.gov (United States)

Paulino, A S; Rauber, G; Campos, C E M; Maurício, M H P; de Avillez, R R; Capobianco, G; Cardoso, S G; Cuffini, S L

2013-05-13

Deflazacort (DFZ), a derivate of prednisolone, is a poorly soluble drug which has been proposed to have major advantages over other corticosteroids. Poorly soluble drugs present limited bioavailability due to their low solubility and dissolution rate and several strategies have been developed in order to find ways to improve them. In general, pharmaceutical laboratories use a micronized process to reduce the particle size in order to increase the dissolution of the drugs. However, this process causes changes such as polymorphic transitions, particle agglomeration and a reduction in fluidity and wettability. These solid-state properties affect the dissolution behavior and stability performance of drugs. Crystallization techniques are widely used in the pharmaceutical industry and antisolvent crystallization has been used to obtain ultrafine particles. In this study, DFZ was investigated in terms of its antisolvent crystallization in different solvents and under various preparation conditions (methanol/water ratio, stirring and evaporation rate, etc.), in order to compare the physicochemical properties between crystallized samples and raw materials available on the Brazilian market with and without micronization. Crystalline structure, morphology, and particle size, and their correlation with the Intrinsic Dissolution Rate (IDR) and dissolution profile as relevant biopharmaceutical properties were studied. Crystallization conditions were achieved which provided crystalline samples of hollow-shaped crystals with internal channels, which increased the dissolution rate of DFZ. The antisolvent crystallization process allowed the formation of hollow crystals, which demonstrated a better dissolution profile than the raw material (crystalline and micronized), making this a promising technique as a crystallization strategy for improving the dissolution and thus the bioavailability of poorly soluble drugs. Copyright © 2013 Elsevier B.V. All rights reserved.

Effect of starting point formation on the crystallization of amorphous silicon films by flash lamp annealing

Science.gov (United States)

Sato, Daiki; Ohdaira, Keisuke

2018-04-01

We succeed in the crystallization of hydrogenated amorphous silicon (a-Si:H) films by flash lamp annealing (FLA) at a low fluence by intentionally creating starting points for the trigger of explosive crystallization (EC). We confirm that a partly thick a-Si part can induce the crystallization of a-Si films. A periodic wavy structure is observed on the surface of polycrystalline silicon (poly-Si) on and near the thick parts, which is a clear indication of the emergence of EC. Creating partly thick a-Si parts can thus be effective for the control of the starting point of crystallization by FLA and can realize the crystallization of a-Si with high reproducibility. We also compare the effects of creating thick parts at the center and along the edge of the substrates, and a thick part along the edge of the substrates leads to the initiation of crystallization at a lower fluence.

Crystallization in metglass: growth mechanism of crystals and radiation effects in Fe Ni P B

International Nuclear Information System (INIS)

Limoge, Y.; Barbu, A.

1981-08-01

Studying crystallization mechanisms and transport properties in amorphous metallic alloys we propose a model for systems wich are displaying eutectoid decomposition. Bringing together self diffusion, electron microscopy and electron irradiation experiments on a Fe Ni P B alloys we have shown that crystallization controlled by interfacial diffusion at the crystal surface can explain all the observed features of the experimental behaviour

An effective approach to synthesize monolayer tungsten disulphide crystals using tungsten halide precursor

International Nuclear Information System (INIS)

Thangaraja, Amutha; Shinde, Sachin M.; Kalita, Golap; Tanemura, Masaki

2016-01-01

The synthesis of large-area monolayer tungsten disulphide (WS 2 ) single crystal is critical for realistic application in electronic and optical devices. Here, we demonstrate an effective approach to synthesize monolayer WS 2 crystals using tungsten hexachloride (WCl 6 ) as a solid precursor in atmospheric chemical vapor deposition process. In this technique, 0.05M solution of WCl 6 in ethanol was drop-casted on SiO 2 /Si substrate to create an even distribution of the precursor, which was reduced and sulfurized at 750 °C in Ar atmosphere. We observed growth of triangular, star-shaped, as well as dendritic WS 2 crystals on the substrate. The crystal geometry evolves with the shape and size of the nuclei as observed from the dendritic structures. These results show that controlling the initial nucleation and growth process, large WS 2 single crystalline monolayer can be grown using the WCl 6 precursor. Our finding shows an easier and effective approach to grow WS 2 monolayer using tungsten halide solution-casting, rather than evaporating the precursor for gas phase reaction

Alloying effects of refractory elements in the dislocation of Ni-based single crystal superalloys

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Shiyu Ma

2016-12-01

Full Text Available The alloying effects of W, Cr and Re in the [100] (010 edge dislocation cores (EDC of Ni-based single crystal superalloys are investigated using first-principles based on the density functional theory (DFT. The binding energy, Mulliken orbital population, density of states, charge density and radial distribution functions are discussed, respectively. It is clearly demonstrated that the addition of refractory elements improves the stability of the EDC systems. In addition, they can form tougher bonds with their nearest neighbour (NN Ni atoms, which enhance the mechanical properties of the Ni-based single crystal superalloys. Through comparative analysis, Cr-doped system has lower binding energy, and Cr atom has evident effect to improve the systemic stability. However, Re atom has the stronger alloying effect in Ni-based single crystal superalloys, much more effectively hindering dislocation motion than W and Cr atoms.

Protein crystal nucleation in pores.

Science.gov (United States)

Nanev, Christo N; Saridakis, Emmanuel; Chayen, Naomi E

2017-01-16

The most powerful method for protein structure determination is X-ray crystallography which relies on the availability of high quality crystals. Obtaining protein crystals is a major bottleneck, and inducing their nucleation is of crucial importance in this field. An effective method to form crystals is to introduce nucleation-inducing heterologous materials into the crystallization solution. Porous materials are exceptionally effective at inducing nucleation. It is shown here that a combined diffusion-adsorption effect can increase protein concentration inside pores, which enables crystal nucleation even under conditions where heterogeneous nucleation on flat surfaces is absent. Provided the pore is sufficiently narrow, protein molecules approach its walls and adsorb more frequently than they can escape. The decrease in the nucleation energy barrier is calculated, exhibiting its quantitative dependence on the confinement space and the energy of interaction with the pore walls. These results provide a detailed explanation of the effectiveness of porous materials for nucleation of protein crystals, and will be useful for optimal design of such materials.

Effect of antimony incorporation on structural properties of CuInS{sub 2} crystals

Energy Technology Data Exchange (ETDEWEB)

Ben Rabeh, M., E-mail: mohamedbenrabeh@yahoo.f [Laboratoire de Photovoltaique et Materiaux Semi-Conducteurs - ENIT BP 37, Le belvedere, 1002 Tunis (Tunisia); Chaglabou, N., E-mail: nadia_chaglabou@yahoo.f [Laboratoire de Photovoltaique et Materiaux Semi-Conducteurs - ENIT BP 37, Le belvedere, 1002 Tunis (Tunisia); Kanzari, M., E-mail: Mounir.Kanzari@ipeit.rnu.t [Laboratoire de Photovoltaique et Materiaux Semi-Conducteurs - ENIT BP 37, Le belvedere, 1002 Tunis (Tunisia)

2010-02-15

CuInS{sub 2} (CIS) single crystals doped with 1, 2, 3 and 4 atomic percent (at.%) of antimony (Sb) were grown by the horizontal Bridgman method. The effect of Sb doping on the structural properties of CIS crystal was studied by means of X-ray diffraction (XRD), energy dispersive X-ray analysis (EDAX), scanning electron microscopy (SEM) and PL measurements. X-ray diffraction data suggests that the doping of Sb in the CIS single crystals does not affect the tetragonal (chalcopyrite) crystal structure and exhibited a (1 1 2) preferred orientation. In addition, with increasing Sb concentration, the X-ray diffraction analysis show that Sb doped CIS crystals are more crystallized and the diffraction peaks of the CuInS{sub 2} phase were more pronounced in particular the (1 1 2) plane. EDAX study revealed that Sb atoms can occupy the indium site and/or occupying the sulfur site to make an acceptor. PL spectra of undoped and Sb doped CIS crystals show two emission peaks at 1.52 and 1.62 eV, respectively which decreased with increasing atomic percent antimony. Sb doped CIS crystals show p-type conductivity.

Chemical binding effects in resonance - potential interference scattering for harmonic crystals

International Nuclear Information System (INIS)

Kuwaifi, A.; Summerfield, G.C.

1991-01-01

The neutron scattering cross section which is the quantity directly measured in experiments is given by the absolute square of the scattering amplitude. For energies near a resonance, this yields three terms: potential, resonant and interference. In this paper we deal with the interference neutron scattering cross section which is written in terms of a three-point correlation function. This function is calculated for the ideal gas and harmonic crystal models. For short collision times, the interference result for harmonic crystals is the same as the ideal gas but it has an effective temperature. This is the same effective temperature as was previously found for absorption and pure resonant processes. Therefore, the interference scattering cross section can be treated in the same way as resonant scattering and absorption are treated using an ideal gas result with the usual effective temperature. (author)

Effect of method of crystallization on the IV-III and IV-II polymorphic transitions of ammonium nitrate.

Science.gov (United States)

Vargeese, Anuj A; Joshi, Satyawati S; Krishnamurthy, V N

2009-01-15

A study has been undertaken on the effect of crystallization method on the IVIII transition of ammonium nitrate (AN). AN is crystallized in three different ways, viz. recrystallization, evaporative crystallization and melt crystallization. When the samples were crystallized from saturated aqueous solution, ideal crystals were formed, which behaved differently from the crystals formed from the other methods. The DTA examination of the crystals showed that the crystals have different transition behaviour. The moisture uptake of the samples determined were found to have influenced by the mode of crystallization. The samples were further analyzed by powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). The present study showed that the parameters like thermal history, number of previous transformations and moisture content have a very negligible influence on the IVIII transition of AN as compared to the method of crystallization.

Effect of an external magnetic field on polytypism of CdI2 crystals grown from solutions

International Nuclear Information System (INIS)

Palosz, B.; Przedmojski, J.

1982-01-01

The effect of growth conditions on the polytypic structure of crystals of CdI 2 was analyzed for crystallization from solutions. Three solvents were used: H 2 O, 3 H 2 O + 1 C 2 H 5 OH and 1 H 2 O + 1 C 2 H 5 OH. Crystals were grown at two temperatures: 5 and 25 0 C with low and high growth rates; an external magnetic field of about 0.25 tesla was used. The effect of the above three parameters on the formation of the basic polytypes 2H and 4H and on the ordering of faults in disordered structures and in polytype cells was studied by X-ray analysis of crystal surfaces. Some distinct relations between the polytypic structure of crystals of CdI 2 and the magnetic field were found. (author)

Effects of heat treatment temperature on morphology and properties of opal crystal

International Nuclear Information System (INIS)

Duan Tao; China Academy of Engineering Physics, Mianyang; Peng Tongjiang; Chen Jiming; Tang Yongjian

2008-01-01

The monodispersed SiO 2 microspheres were synthesized by reactant mixed equally. The colloid crystal templates were assemblied by vertical sedimentation method in ethanol at certain temperatures, and the effects of the heat treatment temperature on the morphology and the properties of opal colloid crystals were investigated. SEM, TCr-DSC results indicate SiO 2 colloid templates should be heat treated at 700-800 degree C, enhancing the conglutination and mechanistic intensity of opal templates. UV-Vis analysis result indicates that the heat treatment process can remove the photonic band gap location of the opal colloid crystals, and with the heat treatment temperature increasing gradually, blue shift occurs and the gap narrows. (authors)

Combined optical and electrical effects in ferroelectric crystal for high laser intensities

Science.gov (United States)

Kukhtarev, N. V.; Kukhtareva, T. V.; Stargell, G.; Wang, J. C.

2009-08-01

In this study, we have derived equations for the pyroelectric and photogalvanic contribution to the electrical charging of the photosensitive ferroelectric crystal. Standard photorefractive equations are supplemented by the equation of state for the polarization density following the Devonshire-Ginsburg-Landau (DGL) approach. The photogalvanic voltage and current is considered for a wide intensity range, which includes the CW and the pulsed photo-excitation with high intensities when the impurity is fully ionized and when the traditional linear-recombination approach is not valid. The crystal electrostatic accelerators, based on charging of ferroelectric crystals by pyroelectric and photogalvanic effects, are discussed in relation to the generation of the self-focused electron beam, X-rays, and neutrons.

Surface freezing of water.

Science.gov (United States)

Pérez-Díaz, J L; Álvarez-Valenzuela, M A; Rodríguez-Celis, F

2016-01-01

Freezing, melting, evaporation and condensation of water are essential ingredients for climate and eventually life on Earth. In the present work, we show how surface freezing of supercooled water in an open container is conditioned and triggered-exclusively-by humidity in air. Additionally, a change of phase is demonstrated to be triggered on the water surface forming surface ice crystals prior to freezing of bulk. The symmetry of the surface crystal, as well as the freezing point, depend on humidity, presenting at least three different types of surface crystals. Humidity triggers surface freezing as soon as it overpasses a defined value for a given temperature, generating a plurality of nucleation nodes. An evidence of simultaneous nucleation of surface ice crystals is also provided.

Phase-field crystal simulation facet and branch crystal growth

Science.gov (United States)

Chen, Zhi; Wang, Zhaoyang; Gu, Xinrui; Chen, Yufei; Hao, Limei; de Wit, Jos; Jin, Kexin

2018-05-01

Phase-field crystal model with one mode is introduced to describe morphological transition. The relationship between growth morphology and smooth density distribution was investigated. The results indicate that the pattern selection of dendrite growth is caused by the competition between interface energy anisotropy and interface kinetic anisotropy based on the 2D phase diagram. When the calculation time increases, the crystal grows to secondary dendrite at the dimensionless undercooling equal to - 0.4. Moreover, when noise is introduced in the growth progress, the symmetry is broken in the growth mode, and there becomes irregular fractal-like growth morphology. Furthermore, the single crystal shape develops into polycrystalline when the noise amplitude is large enough. When the dimensionless undercooling is less than - 0.3, the noise has a significant effect on the growth shape. In addition, the growth velocity of crystal near to liquid phase line is slow, while the shape far away from the liquid adapts to fast growth. Based on the simulation results, the method was proved to be effective, and it can easily obtain different crystal shapes by choosing the different points in 2D phase diagram.

Effect of milling on morphology of molten salt synthesized Sr3Ti2O7 crystals

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Kijamnajsuk, S.

2007-07-01

Full Text Available Effect of milling liquid (acetone and ethanol, and milling times on morphology of Sr3Ti2O7 (ST7 crystals grow in molten potassium chloride salt at 1250oC for 4 h was investigated. Two kinds of crystals with different morphologies were found: ST7 crystals having a tabular shape of less than 20 μm diameter and small secondary-phase crystals having high symmetry. Milling starting materials in ethanol yielded ST7 crystals that were up to 3 times thinner than those milled with acetone, increasing the (00l Lotgering factor almost twice that when prepared with acetone. Large crystals become a bit smaller and the number of small crystals increased when the milling time increased.

Effect of oxalic acid on the optical, thermal, dielectric and mechanical behaviour of ADP crystals

International Nuclear Information System (INIS)

Rajesh, P.; Ramasamy, P.

2009-01-01

The effect of the addition, over a concentration range from 1 to 5 mol%, of oxalic acid on the growth rate, optical transparency, hardness, dielectric behaviour, and SHG efficiency of ammonium dihydrogen phosphate single crystals grown by slow evaporation method has been investigated. UV-Vis studies show that the transparency of the oxalic acid added crystals decreased gradually. Thermal studies indicate that the decomposition temperatures of the crystal are decreased in oxalic acid added ADP crystals. It is observed from the dielectric measurements that the dielectric constant and dielectric loss increase with increase in temperature for all the crystals. Vicker's microhardness study reveals that the addition of higher concentration of oxalic acid decreases the hardness of the crystal. SHG efficiency of 1 mol% of oxalic acid is higher than the pure ADP.

EFFECT OF INTERFACIAL ADHESION ON CRYSTALLIZATION AND MECHANICAL PROPERTIES OF POLY (ETHYLENE TEREPHTHALATE)/GLASS BEAD COMPOSITES

Institute of Scientific and Technical Information of China (English)

OU Yuchun; YU Zhongzhen; ZHU Jin; LI Ge; ZHU Shanguang

1996-01-01

The interfacial adhesion between poly (ethylene terephthalate) (PET) and glass bead was investigated by scanning electron microscope and parallel-plate rheometer. Effect of interfacial adhesion on the crystallization and mechanical properties of PET/glass bead composites was also studied by differential scanning calorimeter and mechanical testers.The results obtained indicate that the glass bead has a heterogeneous nucleation effect on the PET crystallization. Although better interfacial adhesion is advantageous to the increase of the tensile strength of the composite, yet it is unfavorable to the crystallization of PET. It should be pointed out that the crystallization rate of filled PET is always higher than that of pure PET, regardless of the state of interfacial adhesion.

Understanding and control of nucleation, growth, habit, dissolution and structure of two- and three-dimensional crystals using 'Tailor-made' auxiliaries

International Nuclear Information System (INIS)

Weissbuch, I.; Popovitz-Biro, R.; Lahav, M.; Leiserowitz, L.

1995-01-01

Tailor-made auxiliaries for the control of nucleation and growth of molecular crystals may be classified into two broad categories: inhibitors and promoters. Tailor-made inhibitors of crystal growth can be used for a variety of purposes, which include morphological engineering and etching, reduction of crystal symmetry, assignment of absolute structure of chiral molecules and polar crystals, elucidation of the effect of solvent on crystal growth, and crystallization of a desired polymorph. As for crystal growth promoters, monolayers of amphiphilic molecules on water have been used to induce the growth of a variety of three-dimensional crystals at the monolayer-solution interface by means of structural match, molecular complementarity or electrostatic interaction. A particular focus is made on the induced nucleation of ice by monolayers of water-insoluble aliphatic alcohols. The two-dimensional crystalline structures of such monolayers have been studied by grazing incidence X-ray diffraction. It has become possible to monitor, by this method, the growth, dissolution and structure of self-aggregated crystalline monolayers, and indeed multilayers, affected by the interaction of solvent molecules in the aqueous subphase with the amphiphilic headgroups, and by the use of tailor-made amphiphilic additives. (orig.)

Physical changes of beta-sitosterol crystals in oily suspensions during heating

DEFF Research Database (Denmark)

von Bonsdorff-Nikander, Anna; Lievonen, Satu; Christiansen, Leena

2005-01-01

with the mechanical properties of the suspensions during heating were studied by using variable temperature X-ray powder diffractometry (VT-XRPD), differential scanning calorimetry (DSC), and dynamic mechanical analysis (DMA). Hydrated beta-sitosterol crystals in an oil-suspension dehydrated, despite the composition...... of the suspensions, at low temperatures. At high beta-sitosterol concentration, the monohydrate crystal form changed partially to a hemihydrated form, and when only a small amount of water was initially incorporated, the hemihydrate crystal form dehydrated to a mostly anhydrate crystal form. The released water......, which was immiscible in the surrounding oil, caused the recrystallization of hydrated beta-sitosterol during cooling. This procedure indicated a reversible dehydration process. Structural and thermal analysis of beta-sitosterol crystals in suspensions, together with mechanical analysis made it possible...

On dewetting of thin films due to crystallization (crystallization dewetting).

Science.gov (United States)

Habibi, Mehran; Rahimzadeh, Amin; Eslamian, Morteza

2016-03-01

Drying and crystallization of a thin liquid film of an ionic or a similar solution can cause dewetting in the resulting thin solid film. This paper aims at investigating this type of dewetting, herein termed "crystallization dewetting", using PbI2 dissolved in organic solvents as the model solution. PbI2 solid films are usually used in X-ray detection and lead halide perovskite solar cells. In this work, PbI2 films are fabricated using spin coating and the effect of major parameters influencing the crystallization dewetting, including the type of the solvent, solution concentration, drying temperature, spin speed, as well as imposed vibration on the substrate are studied on dewetting, surface profile and coverage, using confocal scanning laser microscopy. Simplified hydrodynamic governing equations of crystallization in thin films are presented and using a mathematical representation of the process, it is phenomenologically demonstrated that crystallization dewetting occurs due to the absorption and consumption of the solution surrounding a growing crystal. Among the results, it is found that a low spin speed (high thickness), a high solution concentration and a low drying temperature promote crystal growth, and therefore crystallization dewetting. It is also shown that imposed vibration on the substrate can affect the crystal size and crystallization dewetting.

Purification, crystal structure determination and functional characterization of type III antifreeze proteins from the European eelpout Zoarces viviparus

DEFF Research Database (Denmark)

Wilkens, Casper; Poulsen, Jens-Christian Navarro; Ramløv, Hans

2014-01-01

Antifreeze proteins (AFPs) are essential components of many organisms adaptation to cold temperatures. Fish type III AFPs are divided into two groups, SP isoforms being much less active than QAE1 isoforms. Two type III AFPs from Zoarces viviparus, a QAE1 (ZvAFP13) and an SP (ZvAFP6) isoform......, are here characterized and their crystal structures determined. We conclude that the higher activity of the QAE1 isoforms cannot be attributed to single residues, but rather a combination of structural effects. Furthermore both ZvAFP6 and ZvAFP13 crystal structures have water molecules around T18...... equivalent to the tetrahedral-like waters previously identified in a neutron crystal structure. Interestingly, ZvAFP6 forms dimers in the crystal, with a significant dimer interface. The presence of ZvAFP6 dimers was confirmed in solution by native electrophoresis and gel filtration. To our knowledge...

Computational strain gradient crystal plasticity

DEFF Research Database (Denmark)

Niordson, Christian Frithiof; Kysar, Jeffrey W.

2014-01-01

A numerical method for viscous strain gradient crystal plasticity theory is presented, which incorporates both energetic and dissipative gradient effects. The underlying minimum principles are discussed as well as convergence properties of the proposed finite element procedure. Three problems...... of plane crystal plasticity are studied: pure shear of a single crystal between rigid platens as well as plastic deformation around cylindrical voids in hexagonal close packed and face centered cubic crystals. Effective in-plane constitutive slip parameters for plane strain deformation of specifically...... oriented face centered cubic crystals are developed in terms of the crystallographic slip parameters. The effect on geometrically necessary dislocation structures introduced by plastic deformation is investigated as a function of the ratio of void radius to plasticity length scale....

An effective neodimium segregation coefficient in neodimium-doped yttrium-aluminum-garnet crystal growth by pulling method

International Nuclear Information System (INIS)

Shiroki, Ken-ichi; Kuwano, Yasuhiko

1978-01-01

Effective Nd segregation coefficient in the Nd:YAG (Nd-doped Y 3 Al 5 O 12 ) crystal growth by pulling method was determined precisely over 0 -- 1.3 atom% Nd concentration range at a 0.6 mm hr -1 growth rate. Two Nd:YAG crystals (-- 20 g) were grown from a large melt (-- 1 kg). Neodymium concentrations in the crystals and residual melts were estimated by fluorescent X-ray analysis, and a value of 0.21 was obtained as the effective segregation coefficient. Next, the optical absorption coefficient of Nd:YAG crystal at 5889 A absorption peak was measured in order to analyze a small specimen for Nd by optical absorption measurements. The optical absorption coefficient of 0.97 mm -1 .atom% -1 was determined in this way. The Nd concentrations, calculated by the segregation coefficient, agreed well with those obtained by optical absorption measurements at 5889 A for six successively grown Nd:YAG crystals. Therefore, the obtained segregation coefficient, 0.21, was confirmed as a reliable value for the Nd:YAG crystal growth by the pulling method. (auth.)

Molecular and crystal structures of the products of crystallization of (N'-furfurylidene)isonicotinoylhydrazide from aqueous solutions of hydrochloric and acetic acids

International Nuclear Information System (INIS)

Chuev, I.I.; Nikonova, L.A.; Atovmyan, E.G.; Utenyshev, A.N.; Aldoshin, S.M.

2001-01-01

Crystals of (N ' -furfurylidene)isonicotinoylhydrazide (I), which have been isolated from a water-methanol solution of hydrochloric acid (Ia) and an aqueous solution (∼50%) of acetic acid (Ib), are studied by X-ray diffraction. In Ia, the nitrogen atom of the pyridine ring is protonated. In the crystal, the intermolecular C=O···HN(Py) hydrogen bonds link the I · H + cations into chains which are bound through centrosymmetric NH···W···Cl - ···W ' ···H ' N ' bridges. In molecule Ib, no protonation occurs; however, its pyridine N atom is blocked by the hydroxyl H atom of a solvate molecule of acetic acid. Crystals Ib have a layered structure. The crystallization water molecule is involved in the formation of three intermolecular hydrogen bonds, namely, those with the H atom of the amide group and the carbonyl O atoms of molecule I and an acetic acid molecule of the neighboring layer

A new strategy for imaging biomolecular events through interactions between liquid crystals and oil-in-water emulsions.

Science.gov (United States)

Hu, Qiong-Zheng; Jang, Chang-Hyun

2012-11-21

In this study, we demonstrate a new strategy to image biomolecular events through interactions between liquid crystals (LCs) and oil-in-water emulsions. The optical response had a dark appearance when a nematic LC, 4-cyano-4'-pentylbiphenyl (5CB), is in contact with emulsion droplets of glyceryl trioleate (GT). In contrast, the optical response had a bright appearance when 5CB is in contact with GT emulsions decorated with surfactants such as sodium oleate. Since lipase can hydrolyze GT and produce oleic acid, the optical response also displays a bright appearance after 5CB has been in contact with a mixture of lipase and GT emulsions. These results indicate the feasibility of monitoring biomolecular events through interactions between LCs and oil-in-water emulsions.

Effect of additionally introduced Zn and Eu dopants on the photoluminescence spectra of Er-Doped GaN crystals

International Nuclear Information System (INIS)

Mezdrogina, M. M.; Krivolapchuk, V. V.; Petrov, V. N.; Rodin, S. N.; Cherenkov, A. V.

2006-01-01

It is shown that the effect of dopants on the photoluminescence spectrum depends on the conductivity type of the initial GaN crystals. Sensitization of emission is observed in wurtzite p-GaN crystals doped with Er. The same effect was previously observed in such crystals doped with Eu and Zn. In n-type GaN crystals sequentially doped with Eu, Zn, and Er, emission is observed in the visible (λ = 360-440 and 530-560 nm) and IR (λ = 1.54 μm) spectral regions

Lack of Co-crystal Formation with Cyclotriphosphazenes: A ...

African Journals Online (AJOL)

NICOLAAS

Department of Chemistry and Polymer Science, University of Stellenbosch, Private Bag X1, Matieland, .... issues with solubility of the phosphazenes used. ... The temperature of the crystal was ... from methanol that incorporated water into the structure did .... The crystal structures of9–12were originally determined at room.

Effect of hydrazine on general corrosion of carbon and low-alloyed steels in pressurized water reactor secondary side water

Energy Technology Data Exchange (ETDEWEB)

Järvimäki, Sari [Fortum Ltd, Loviisa Power Plant, Loviisa (Finland); Saario, Timo; Sipilä, Konsta [VTT Technical Research Centre of Finland Ltd., Nuclear Safety, P.O. Box 1000, FIN-02044 VTT (Finland); Bojinov, Martin, E-mail: martin@uctm.edu [Department of Physical Chemistry, University of Chemical Technology and Metallurgy, Kl. Ohridski Blvd, 8, 1756 Sofia (Bulgaria)

2015-12-15

Highlights: • The effect of hydrazine on the corrosion of steel in secondary side water investigated by in situ and ex situ techniques. • Oxide grown on steel in 100 ppb hydrazine shows weaker protective properties – higher corrosion rates. • Possible explanation of the accelerating effect of higher concentrations of hydrazine on flow assisted corrosion offered. - Abstract: The effect of hydrazine on corrosion rate of low-alloyed steel (LAS) and carbon steel (CS) was studied by in situ and ex situ techniques under pressurized water reactor secondary side water chemistry conditions at T = 228 °C and pH{sub RT} = 9.2 (adjusted by NH{sub 3}). It is found that hydrazine injection to a maximum level of 5.06 μmol l{sup −1} onto surfaces previously oxidized in ammonia does not affect the corrosion rate of LAS or CS. This is confirmed also by plant measurements at Loviisa NPP. On the other hand, hydrazine at the level of 3.1 μmol l{sup −1} decreases markedly the amount and the size of deposited oxide crystals on LAS and CS surface. In addition, the oxide grown in the presence of 3.1 μmol l{sup −1} hydrazine is somewhat less protective and sustains a higher corrosion rate compared to an oxide film grown without hydrazine. These observations could explain the accelerating effect of higher concentrations of hydrazine found in corrosion studies of LAS and CS.

Protocols for atomistic modeling of water uptake into zeolite crystals for thermal storage and other applications

International Nuclear Information System (INIS)

Fasano, Matteo; Borri, Daniele; Chiavazzo, Eliodoro; Asinari, Pietro

2016-01-01

Highlights: • Numerical protocols for modeling water adsorption and infiltration into zeolite. • A priori screening of new materials for heat storage and desalination is possible. • Water uptake isotherms for bridging atomistic and engineering scales. - Abstract: We report numerical protocols for describing the water uptake process into microporous materials, with special emphasis on zeolite crystals. A better understanding and more predictive tools of the latter process are critical for a number of modern engineering applications, ranging from the optimization of loss free and compact thermal storage plants up to more efficient separation processes. Water sorption (and desorption) is indeed the key physical phenomenon to consider when designing several heat storage cycles, whereas water infiltration is to be studied when concerned with sieving through microporous materials for manufacturing selective membranes (e.g. water desalination by reverse osmosis). Despite the two quite different applications above, in this article we make an effort for illustrating a comprehensive numerical framework for predicting the engineering performances of microporous materials, based on detailed atomistic models. Thanks to the nowadays spectacular progresses in synthesizing an ever increasing number of new materials with desired properties such as zeolite with various concentrations of hydrophilic defects, we believe that the reported tools can possibly guide engineers in choosing and optimizing innovative materials for (thermal) engineering applications in the near future.

An effective approach to synthesize monolayer tungsten disulphide crystals using tungsten halide precursor

Energy Technology Data Exchange (ETDEWEB)

Thangaraja, Amutha; Shinde, Sachin M.; Kalita, Golap, E-mail: kalita.golap@nitech.ac.jp; Tanemura, Masaki [Department of Frontier Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan)

2016-02-01

The synthesis of large-area monolayer tungsten disulphide (WS{sub 2}) single crystal is critical for realistic application in electronic and optical devices. Here, we demonstrate an effective approach to synthesize monolayer WS{sub 2} crystals using tungsten hexachloride (WCl{sub 6}) as a solid precursor in atmospheric chemical vapor deposition process. In this technique, 0.05M solution of WCl{sub 6} in ethanol was drop-casted on SiO{sub 2}/Si substrate to create an even distribution of the precursor, which was reduced and sulfurized at 750 °C in Ar atmosphere. We observed growth of triangular, star-shaped, as well as dendritic WS{sub 2} crystals on the substrate. The crystal geometry evolves with the shape and size of the nuclei as observed from the dendritic structures. These results show that controlling the initial nucleation and growth process, large WS{sub 2} single crystalline monolayer can be grown using the WCl{sub 6} precursor. Our finding shows an easier and effective approach to grow WS{sub 2} monolayer using tungsten halide solution-casting, rather than evaporating the precursor for gas phase reaction.

Operation condition for continuous anti-solvent crystallization of CBZ-SAC cocrystal considering deposition risk of undesired crystals

Science.gov (United States)

Nishimaru, Momoko; Nakasa, Miku; Kudo, Shoji; Takiyama, Hiroshi

2017-07-01

Crystallization operation of cocrystal production has deposition risk of undesired crystals. Simultaneously, continuous manufacturing processes are focused on. In this study, conditions for continuous cocrystallization considering risk reduction of undesired crystals deposition were investigated on the view point of thermodynamics and kinetics. The anti-solvent cocrystallization was carried out in four-component system of carbamazepine, saccharin, methanol and water. From the preliminary batch experiment, the relationships among undesired crystal deposition, solution composition decided by mixing ratio of solutions, and residence time for the crystals were considered, and then the conditions of continuous experiment were decided. Under these conditions, the continuous experiment was carried out. The XRD patterns of obtained crystals in the continuous experiment showed that desired cocrystals were obtained without undesired crystals. This experimental result was evaluated by using multi-component phase diagrams from the view point of the operation point's movement. From the evaluation, it was found that there is a certain operation condition which the operation point is fixed with time in the specific domain without the deposition risk of undesired single component crystals. It means the possibility of continuous production of cocrystals without deposition risk of undesired crystals was confirmed by using multi-component phase diagrams.

PHOTOCATALYTIC ACTIVITIES of Ag+ DOPED ZIF-8 and ZIF-L CRYSTALS

Directory of Open Access Journals (Sweden)

Berna Topuz

2016-09-01

Full Text Available Photocatalysis is expected to contribute to the solution of environmental problems such as water and air pollution in the near future. The design of photocatalysts with high electron-hole generation rates, high surface areas and high light absorption capacities is crucial in producing sustainable and cost-effective photocatalytic processes. Titania, zirconia, copper oxide, zinc oxide, iron oxide are widely used photocatalysts which have good light absorption capacities with moderate surface areas depending on the synthesis conditions. In the last decade metal organic frameworks (MOFs have been used in photocatalytic applications due to their very high surface areas up to 1000s of m2/g and adequate light absorption capacities. In this study zeolitic imidazolate framework (ZIF based MOF photocatalytsts were prepared and the effect of silver (Ag doping on the photocatalytic activity of ZIF-8 and ZIF-L crystals was investigated. Ag doped ZIF-8 and ZIF-L crystals were prepared and their activities in the photocatalytic removal of methylene blue (MB dye under UV irradiation were determined for the first time in the literature. Doped ZIF-8 and ZIF-L crystals showed better photocatalytic activities compared to the undoped crystals. 100% of MB was removed with 5 mole% Ag+ doped ZIF-8 in 40 min. The photocatalytic activity decreased beyond 5% doping level since Ag+ ions may have segregated due to a possible solid state solubility limit of Ag+ ions in the crystal lattice of ZIF-8. ZIF-L crystals possessed lower photocatalytic activities compared to ZIF-8 crystals.

The effect of UV exposure and heat treatment on crystallization behavior of photosensitive glasses

Science.gov (United States)

Kıbrıslı, Orhan; Ersundu, Ali Erçin

2018-05-01

In this study, photosensitive glasses in the Na2O-ZnO-Al2O3-SiO2 system with photosensitizing agents (cerium, silver, tin, antimony) and halogenides (NaF and KBr) were synthesized through a conventional melt-quenching technique. The crystallization mechanism was investigated for solely heat-treated and UV-exposed + heat-treated samples using differential thermal analysis (DTA), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS) and scanning electron microscopy (SEM) techniques to understand the effect of UV exposure on crystallization behavior of photosensitive glasses. Accordingly, non-isothermal DTA measurements were performed at different heating rates to determine crystallization peak, T p, and onset, T c, temperatures. For solely heat-treated samples, the kinetic parameters such as the Avrami constant, n, and morphology index, m, were calculated as 1 from the Ozawa method indicating surface crystallization and the value of crystallization activation energy was calculated as 944 kJ/mol using modified Kissinger method. On the contrary, bulk crystallization was found to be predominant for UV exposed + heat-treated samples revealing that UV exposure is the primary cause of bulk crystallization in photosensitive glasses.

Oxidation and crystal field effects in uranium

Energy Technology Data Exchange (ETDEWEB)

Tobin, J. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Booth, C. H. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Shuh, D. K. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); van der Laan, G. [Diamond Light Source, Didcot (United Kingdom); Sokaras, D. [Stanford Synchrotron Radiation Lightsource, Stanford, CA (United States); Weng, T. -C. [Stanford Synchrotron Radiation Lightsource, Stanford, CA (United States); Yu, S. W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bagus, P. S. [Univ. of North Texas, Denton, TX (United States); Tyliszczak, T. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Nordlund, D. [Stanford Synchrotron Radiation Lightsource, Stanford, CA (United States)

2015-07-06

An extensive investigation of oxidation in uranium has been pursued. This includes the utilization of soft x-ray absorption spectroscopy, hard x-ray absorption near-edge structure, resonant (hard) x-ray emission spectroscopy, cluster calculations, and a branching ratio analysis founded on atomic theory. The samples utilized were uranium dioxide (UO₂), uranium trioxide (UO₃), and uranium tetrafluoride (UF₄). As a result, a discussion of the role of non-spherical perturbations, i.e., crystal or ligand field effects, will be presented.

The effect of oxygen fugacity on the rheological evolution of crystallizing basaltic melts

Science.gov (United States)

Kolzenburg, S.; Di Genova, D.; Giordano, D.; Hess, K. U.; Dingwell, D. B.

2018-04-01

Storage and transport of silicate melts in the Earth's crust and their emplacement on the planet's surface occur almost exclusively at sub-liquidus temperatures. At these conditions, the melts undergo crystallization under a wide range of cooling-rates, deformation-rates, and oxygen fugacities (fO2). Oxygen fugacity is known to influence the thermodynamics and kinetics of crystallization in magmas and lavas. Yet, its influence on sub-liquidus rheology remains largely uncharted. We present the first rheological characterization of crystallizing lavas along natural cooling paths and deformation-rates and at varying fO2. Specifically, we report on apparent viscosity measurements for two crystallizing magmatic suspensions 1) at log ⁡ fO2 of -9.15 (quartz-fayalite-magnetite buffer, QFM, -2.1) and 2) in air. These fugacities span a range of reduced to oxidized conditions pertinent to magma migration and lava emplacement. We find that: 1) crystallization at constant cooling-rates results in a quasi-exponential increase in the apparent viscosity of the magmatic suspensions until they achieve their rheological cut off temperature (Tcutoff), where the melt effectively solidifies 2) the rheological departure and Tcutoff increase with increasing fO2 and 3) increasing fO2 results in decreased crystallization-rates. Based on the experimental results and by comparison with previous rheological isothermal studies we propose a generalisation of the effect of fO2 on the dynamic rheological evolution of natural magmatic and volcanic suspensions. We further discuss the implications for magmatic transport in plumbing and storage systems (e.g. conduits, dikes and magma chambers) and during lava flow emplacement.

Phase transitions of antibiotic clarithromycin forms I, IV and new form VII crystals.

Science.gov (United States)

Ito, Masataka; Shiba, Rika; Watanabe, Miteki; Iwao, Yasunori; Itai, Shigeru; Noguchi, Shuji

2018-06-01

Metastable crystal form I of the antibiotic clarithromycin has a pharmaceutically valuable characteristic that its crystalline phase transition can be applied for its sustained release from tablets. The phase transition of form I was investigated in detail by single crystal and powder X-ray analyses, dynamic vapor sorption analysis and thermal analysis. The single crystal structure of form I revealed that form I was not an anhydrate crystal but contained a partially occupied water molecule in the channel-like void space. Dynamic vapor sorption (DVS) analysis demonstrated that form I crystals reversibly sorbed water molecules in two steps when the relative humidity (RH) increased and finally transited to hydrate form IV at 95% RH. DVS analysis also showed that when the RH decreased form IV crystals lost water molecules at 40% RH and transited to the newly identified anhydrate crystal form VII. Form VII reversibly transited to form IV at lower RH than form I, suggesting that form I is more suitable for manufacturing a sustained-release tablet of CAM utilizing the crystalline phase transition. Copyright © 2018 Elsevier B.V. All rights reserved.

Iron sulfide crystal growth: a literature review

International Nuclear Information System (INIS)

Dewar, E.J.

1977-04-01

Iron pyrite (FeS 2 ) is often found on trays and in heat exchangers in Girdler-Sulfide (G.S.) plants used to extract D 2 O from fresh water. A critical review of the literature was made to find: (i) what is known about FeS 2 crystal growth; (ii) which techniques could be used to study FeS 2 crystal growth experimentally; (iii) potential chemical additives that could be used in trace amounts to poison FeS 2 crystals and reduce their growth rate in G.S. plants. (author)

Plasmonic gold nanocrystals coupled with photonic crystal seamlessly on TiO2 nanotube photoelectrodes for efficient visible light photoelectrochemical water splitting

KAUST Repository

Zhang, Zhonghai

2013-01-09

A visible light responsive plasmonic photocatalytic composite material is designed by rationally selecting Au nanocrystals and assembling them with the TiO2-based photonic crystal substrate. The selection of the Au nanocrystals is so that their surface plasmonic resonance (SPR) wavelength matches the photonic band gap of the photonic crystal and thus that the SPR of the Au receives remarkable assistance from the photonic crystal substrate. The design of the composite material is expected to significantly increase the Au SPR intensity and consequently boost the hot electron injection from the Au nanocrystals into the conduction band of TiO2, leading to a considerably enhanced water splitting performance of the material under visible light. A proof-of-concept example is provided by assembling 20 nm Au nanocrystals, with a SPR peak at 556 nm, onto the photonic crystal which is seamlessly connected on TiO2 nanotube array. Under visible light illumination (>420 nm), the designed material produced a photocurrent density of ∼150 μA cm-2, which is the highest value ever reported in any plasmonic Au/TiO2 system under visible light irradiation due to the photonic crystal-assisted SPR. This work contributes to the rational design of the visible light responsive plasmonic photocatalytic composite material based on wide band gap metal oxides for photoelectrochemical applications. © 2012 American Chemical Society.

The effect of magnetic field on the shape of etch pits of paracetamol crystals

Energy Technology Data Exchange (ETDEWEB)

Ivashchenko, V.E. [Kemerovo State University, Novosibirsk (Russian Federation); Research and Educational Center, Novosibirsk State University (Russian Federation); Boldyrev, V.V.; Shakhtshneider, T.P. [Institute of Solid State Chemistry and Mechanochemistry, RAS, Novosibirsk (Russian Federation); Zakharov, Yu.A.; Krasheninin, V.I. [Kemerovo State University, Novosibirsk (Russian Federation); Ermakov, A.E. [Institute of Physics of Metals, Ural Branch of RAS, Ekaterinburg (Russian Federation)

2002-04-01

In the present study we investigate the effect of magnetic field on the shape of etch pits of the crystals of p-hydroxyacetanilide (paracetamol), which is widely used in pharmacy as antipyretic, antiphlogistic medicine. It was discovered that the magnetic field (H=0.5 T, {tau}=15 min) changes the morphology of etch pits and shifts dislocations in paracetamol crystal. Activation energy of the changes induced by the action of the magnetic field was determined to be 63 kJ/mol, which is comparable with the energy of hydrogen bonds in crystal lattice. (orig.)

Ambipolar Cu- and Fe-phthalocyanine single-crystal field-effect transistors

NARCIS (Netherlands)

De Boer, R.W.I.; Stassen, A.F.; Craciun, M.F.; Mulder, C.L.; Molinari, A.; Rogge, S.; Morpurgo, A.F.

2005-01-01

We report the observation of ambipolar transport in field-effect transistors fabricated on single crystals of copper- and iron-phthalocyanine, using gold as a high work-function metal for the fabrication of source and drain electrodes. In these devices, the room-temperature mobility of holes reaches

Effects of crystal defects on the diffuse scattering of X-rays

International Nuclear Information System (INIS)

Kremser, R.

1974-01-01

This thesis concerns with the influence of crystal defects in germanium-drifted silicium and in α=quartz on the intensity of the diffuse X-ray scattering. The experiments were performed at low and high temperatures to show the effect of the atomic thermal motion on the intensity of the diffuse maxima. The comparison of the results for pure silicium and for the germanium-drifted crystal gives information about the relation between the frequency-spectra and the defects of the drifted silicium. For α-quarts it was not possible to relate unequivocally the observed changes in the intensity to individual defects. (C.R.)

Crystallization In Multicomponent Glasses

International Nuclear Information System (INIS)

Kruger, A.A.; Hrma, P.R.

2009-01-01

In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

CRYSTALLIZATION IN MULTICOMPONENT GLASSES

Energy Technology Data Exchange (ETDEWEB)

KRUGER AA; HRMA PR

2009-10-08

In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

Effect of Si and Co on the crystallization of Al-Ni-RE amorphous alloys

Energy Technology Data Exchange (ETDEWEB)

Wang, S.H. [Key Lab of Liquid structure and Heredity of Materials, Ministry of Education, South Campus of Shandong University, Jinan 250061 (China); Bian, X.F. [Key Lab of Liquid structure and Heredity of Materials, Ministry of Education, South Campus of Shandong University, Jinan 250061 (China)], E-mail: xfbian@sdu.edu.cn

2008-04-03

Crystallization of Al{sub 83}Ni{sub 10}Si{sub 2}Ce{sub 5}, Al{sub 85}Ni{sub 10}Ce{sub 5}, Al{sub 87}Ni{sub 7}Nd{sub 6} and Al{sub 87}Ni{sub 5}Co{sub 2}Nd{sub 6} amorphous alloys has been studied by using X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The multiple transition metal (TM) (containing metalloid element) have significant effect on the crystallization behavior. A small addition of Si transforms a eutectic crystallization (Al{sub 85}Ni{sub 10}Ce{sub 5}) to a primary crystallization (Al{sub 83}Ni{sub 10}Si{sub 2}Ce{sub 5}); while a small addition of Co transforms a primary crystallization (Al{sub 87}Ni{sub 7}Nd{sub 6}) to a eutectic crystallization (Al{sub 87}Ni{sub 5}Co{sub 2}Nd{sub 6}). In addition, the activation energies for crystallization (E{sub a}) are obtained to be 191, 290, 221 and 166 kJ/mol for the Al{sub 83}Ni{sub 10}Si{sub 2}Ce{sub 5}, Al{sub 85}Ni{sub 10}Ce{sub 5}, Al{sub 87}Ni{sub 5}Co{sub 2}Nd{sub 6} and Al{sub 87}Ni{sub 7}Nd{sub 6} amorphous alloys based on the Kissinger method, respectively. It is found that the primary crystallization of fcc-Al is characteristic of a lower E{sub a}, as compared with eutectic crystallization.

Physico-mechanical and dissolution behaviours of ibuprofen crystals crystallized in the presence of various additives

Directory of Open Access Journals (Sweden)

A Nokhodchi

2010-06-01

Full Text Available "n  "n Background and the purpose of the study: The success of any direct-tableting procedure is strongly affected by the quality of the crystals used in the process. Ibuprofen is a poorly compactible drug with a high tendency for capping. In order to use ibuprofen in direct compression formulations, physico-mechanical properties of ibuprofen should be improved considerably. The aim of the present investigation was to employ crystallization techniques in order to improve the physico-mechanical properties of ibuprofen for direct compression. "nMethods:The experimental methods involved the preparation of ibuprofen crystals by solvent change technique. Ibuprofen was dissolved in ethanol and crystallized out with water in the absence or presence of various hydrophilic additives (PEG 6000, 8000, Brij 98P and polyvinyl alcohol 22000, PVA 22000 with different concentrations. The physico-mechanical properties of the ibuprofen crystals were studied in terms of flow, density, tensile strength and dissolution behaviour. Morphology of ibuprofen crystals was studied by scanning electron microscopic (SEM. Solid state of the recrystallized particles was also investigated using differential scanning calorimeter (DSC and FT-IR. "nResults:Ibuprofen samples crystallized in the presence of PEG 6000 and 8000 and PVA showed remarkable increase in the tensile strengths of the directly compressed tablets, while some other additives, i.e. Brij 98P did not produce improved ibuprofen crystals. Ibuprofen powders made from particles obtained in the presence of PVA and Brij 98P showed similar dissolution profiles to the commercial ibuprofen particles. DSC and FT-IR results ruled out any significant interaction between ibuprofen and additives except for the samples crystallized in the presence of PEG 8000. Conclusion:The crystal habit of ibuprofen can be altered successfully by the crystallization technique which was developed in this study. The crystals developed in the

Timing of warm water refuge use in Crystal River National Wildlife Refuge by manatees—Results and insights from Global Positioning System telemetry data

Science.gov (United States)

Slone, Daniel H.; Butler, Susan M.; Reid, James P.; Haase, Catherine G.

2017-11-21

Managers at the U.S. Fish and Wildlife Service Crystal River National Wildlife Refuge (CRNWR) desire to update their management plan regarding the operation of select springs including Three Sisters Springs. They wish to refine existing parameters used to predict the presence of federally threatened Trichechus manatus latirostris (Florida manatee) in the springs and thereby improve their manatee management options. The U.S. Geological Survey Sirenia Project has been tracking manatees in the CRNWR area since 2006 with floating Global Positioning System (GPS) satellite-monitored telemetry tags. Analyzing movements of these tagged manatees will provide valuable insight into their habitat use patterns.A total of 136 GPS telemetry bouts were available for this project, representing 730,009 locations generated from 40 manatees tagged in the Gulf of Mexico north of Tampa, Florida. Dates from October through March were included to correspond to the times that cold ambient temperatures were expected, thus requiring a need for manatee thermoregulation and a physiologic need for warm water. Water level (tide) and water temperatures were obtained for the study from Salt River, Crystal River mouth, Bagley Cove, Kings Bay mouth, and Magnolia Spring. Polygons were drawn to subdivide the manatee locations into areas around the most-used springs (Three Sisters/Idiots Delight, House/Hunter/Jurassic, Magnolia and King), Kings Bay, Crystal/Salt Rivers and the Gulf of Mexico.Manatees were found in the Crystal or Salt Rivers or in the Gulf of Mexico when ambient temperatures were warmer (>20 °C), while they were found in or near the springs (especially Three Sisters Springs) at colder ambient water temperatures. There was a trend of manatees entering springs early in the morning and leaving in the afternoon. There was a strong association of manatee movements in and out of the Three Sisters/Idiots Delight polygon with tide cycles: manatees were more likely to enter the Three Sisters

Imaging transport phenomena during lysozyme protein crystal growth by the hanging drop technique

Science.gov (United States)

Sethia Gupta, Anamika; Gupta, Rajive; Panigrahi, P. K.; Muralidhar, K.

2013-06-01

The present study reports the transport process that occurs during the growth of lysozyme protein crystals by the hanging drop technique. A rainbow schlieren technique has been employed for imaging changes in salt concentration. A one dimensional color filter is used to record the deflection of the light beam. An optical microscope and an X-ray crystallography unit are used to characterize the size, tetragonal shape and Bravais lattice constants of the grown crystals. A parametric study on the effect of drop composition, drop size, reservoir height and number of drops on the crystal size and quality is reported. Changes in refractive index are not large enough to create a meaningful schlieren image in the air gap between the drop and the reservoir. However, condensation of fresh water over the reservoir solution creates large changes in the concentration of NaCl, giving rise to clear color patterns in the schlieren images. These have been analyzed to obtain salt concentration profiles near the free surface of the reservoir solution as a function of time. The diffusion of fresh water into the reservoir solution at the early stages of crystal growth followed by the mass flux of salt from the bulk solution towards the free surface has been recorded. The overall crystal growth process can be classified into two regimes, as demarcated by the changes in slope of salt concentration within the reservoir. The salt concentration in the reservoir equilibrates at long times when the crystallization process is complete. Thus, transport processes in the reservoir emerge as the route to monitor protein crystal growth in the hanging drop configuration. Results show that crystal growth rate is faster for a higher lysozyme concentration, smaller drops, and larger reservoir heights.

Radiation Damage in Scintillating Crystals

CERN Document Server

Zhu Ren Yuan

1998-01-01

Crystal Calorimetry in future high energy physics experiments faces a new challenge to maintain its precision in a hostile radiation environment. This paper discusses the effects of radiation damage in scintillating crystals, and concludes that the predominant radiation damage effect in crystal scintillators is the radiation induced absorption, or color center formation, not the loss of the scintillation light yield. The importance of maintaining crystal's light response uniformity and the feasibility to build a precision crystal calorimeter under radiation are elaborated. The mechanism of the radiation damage in scintillating crystals is also discussed. While the damage in alkali halides is found to be caused by the oxygen or hydroxyl contamination, it is the structure defects, such as oxygen vacancies, cause damage in oxides. Material analysis methods used to reach these conclusions are presented in details.

Crystal growth from low-temperature solutions

International Nuclear Information System (INIS)

Sangwal, K.

1994-01-01

The state of the art in crystal growth from solutions at low-temperatures has been done. The thermodynamic and kinetic parameters have been discussed in respect to different systems. The methods of crystal growth from water and organic solutions and different variants of their technical realizations have been reviewed. Also the growth by chemical reactions and gel growth have been described. The large number of examples have been shown. 21 refs, 30 figs, 3 tabs

In Situ Water Vapor Measurements Using Coupled UV Fragment Fluorescence/Absorption Spectroscopy in Support of CRYSTAL-FACE

Science.gov (United States)

Anderson, James G.

2004-01-01

Understanding the coupling of dynamics, chemistry, and radiation within the context of the NASA Earth Science Enterprise (ESE) and the national Climate Change Science Program (CCSP) requires, as a first-order priority, high spatial resolution, high-accuracy observations of water in its various phases. Given the powerful diagnostic importance of the condensed phases of water for dynamics and the impact of phase changes in water on the radiation field, the accurate, in situ observation of water vapor is of central importance to CRYSTAL FACE (CF). This is clear both from the defined scientific objectives of the NRA and from developments in the coupled fields of stratosphere/troposphere exchange, cirrus cloud formation/removal and mechanisms for the distribution of water vapor in the middle/upper troposphere. Accordingly, we were funded under NASA Grant NAG5-11548 to perform the following tasks for the CF mission: 1. Prepare the water vapor instrument for integration into the WB57F and test flights scheduled for Spring 2002. 2. Calibrate and prepare the water vapor instrument for the Summer 2002 CF science flights based in Jacksonville, Florida. 3. Provide both science and engineering support for the above-mentioned efforts. 4. Analyze and interpret the CF data in collaboration with other mission scientists. 5. Attend the science workshop in Spring 2003. 6. Publish the data and analysis in peer-reviewed journals.

EFFECT OF SODIUM DODECYLBENZENESULFONIC ACID (SDBS ON THE GROWTH RATE AND MORPHOLOGY OF BORAX CRYSTAL

Directory of Open Access Journals (Sweden)

Suharso Suharso

2010-06-01

Full Text Available An investigation of the effect of sodium dodecylbenzenesulfonic acid (SDBS on both growth rate and morphology of borax crystal has been carried out.  This experiment was carried out at temperature of 25 °C and relative supersaturation of 0.21 and 0.74 under in situ cell optical microscopy method.  The result shows that SDBS inhibits the growth rate and changes the morphology of borax crystal.   Keywords: Borax; growth rate; crystallization, SDBS

Glass transition, crystallization kinetics and pressure effect on crystallization of ZrNbCuNiBe bulk metallic glass

DEFF Research Database (Denmark)

Xing, P.F.; Zhuang, Yanxin; Wang, W.H.

2002-01-01

The glass transition behavior and crystallization kinetics of Zr48Nb8Cu14Ni12Be18 bulk metallic glass have been investigated by differential scanning calorimetry and x-ray powder diffraction (XRD). The activation energies of both glass transition and crystallization events have been obtained using...... the Kissinger method. Results indicate that this glass crystallizes by a three-stage reaction: (1) phase separation and primary crystallization of glass, (2) formation of intermetallic compounds, and (3) decomposition of intermetallic compounds and crystallization of residual amorphous phase. The pressure...

A more clear insight of the lysozyme crystal composition

Energy Technology Data Exchange (ETDEWEB)

Mueller, C.; Ulrich, J. [Martin-Luther-Universitaet Halle-Wittenberg, Zentrum fuer Ingenieurswissenschaften, Verfahrenstechnik/TVT, 06099 Halle Saale (Germany)

2011-07-15

Crystallization can be used as a purification method for proteins. Lysozyme was chosen as a model substance. Changing crystallization conditions will lead as shown to different lysozyme crystal morphologies with different properties. Beside others, lysozyme crystals can show a Tetragonal, High Temperature and Low Temperature Orthorhombic crystal morphology. Experiments such as conductivity measurements, pH tests, chloride detection tests, experiments using methylene blue as a dye and dissolution experiments were carried out to investigate the composition of the lysozyme crystals. It is proven that lysozyme crystals are made up of the initial buffer solution components: lysozyme (the protein), water which is part of the crystal lattice, salt ions which are attached to the protein molecule and voids filled with the buffer solution containing the crystallization agent (e.g. salt). Interesting dissolution behaviours of the lysozyme crystals were observed which are not described so far elsewhere (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Synthesis and Single Crystal X-Ray Structure Determination of 3,3',5 ...

African Journals Online (AJOL)

Single crystal structure determination at 100 K revealed needle-like crystals in an orthorhombic crystal system. The asymmetric unit of the cell consists of an isolated chloride ion, one half of a tetrahedral [MnCl4]2- anion, a [H2Me4bpz]2+ dication and one half of a molecule of water. Keywords: Crystal Engineering, Hydrogen ...

Growth of dopamine crystals

Energy Technology Data Exchange (ETDEWEB)

Patil, Vidya, E-mail: vidya.patil@ruparel.edu; Patki, Mugdha, E-mail: mugdha.patki@ruparel.edu [D. G. Ruparel College, Senapati Bapat Marg, Mahim, Mumbai – 400 016 (India)

2016-05-06

Many nonlinear optical (NLO) crystals have been identified as potential candidates in optical and electro-optical devices. Use of NLO organic crystals is expected in photonic applications. Hence organic nonlinear optical materials have been intensely investigated due to their potentially high nonlinearities, and rapid response in electro-optic effect compared to inorganic NLO materials. There are many methods to grow organic crystals such as vapor growth method, melt growth method and solution growth method. Out of these methods, solution growth method is useful in providing constraint free crystal. Single crystals of Dopamine have been grown by evaporating the solvents from aqueous solution. Crystals obtained were of the size of orders of mm. The crystal structure of dopamine was determined using XRD technique. Images of crystals were obtained using FEG SEM Quanta Series under high vacuum and low KV.

The effect of magnesium on partial sulphate removal from mine water as gypsum.

Science.gov (United States)

Tolonen, Emma-Tuulia; Rämö, Jaakko; Lassi, Ulla

2015-08-15

The aim of this research was to investigate the effect of magnesium on the removal efficiency of sulphate as gypsum from mine water. The precipitation conditions were simulated with MINEQL + software and the simulation results were compared with the results from laboratory jar test experiments. Both the simulation and the laboratory results showed that magnesium in the mine water was maintaining sulphate in a soluble form as magnesium sulphate (MgSO4) at pH 9.6. Thus magnesium was preventing the removal of sulphate as gypsum (CaSO4·2H2O). However, change in the lime precipitation pH from 9.6 to 12.5 resulted in magnesium hydroxide (Mg(OH)2) precipitation and improved sulphate removal. Additionally, magnesium hydroxide could act as seed crystals for gypsum precipitation or co-precipitate sulphate further enhancing the removal of sulphate from mine water. Copyright © 2015 Elsevier Ltd. All rights reserved.

Symmetry-adaptation and selection rules for effective crystal field Hamiltonians

International Nuclear Information System (INIS)

Tuszynski, J.A.

1986-01-01

The intention of this paper is to systematically derive an effective Hamiltonian in the presence of crystal fields in such a way as to incorporate relativistic effects and higher order perturbation corrections including configuration mixing. This Hamiltonian will then be conveniently represented as a symmetry-adapted series of one- and two-body double tensor operators whose matrix elements will be analyzed for selection rules. 16 references, 4 tables

Spatial solitons in nonlinear photonic crystals

DEFF Research Database (Denmark)

Corney, Joel Frederick; Bang, Ole

2000-01-01

We study solitons in one-dimensional quadratic nonlinear photonic crystals with periodic linear and nonlinear susceptibilities. We show that such crystals support stable bright and dark solitons, even when the effective quadratic nonlinearity is zero.......We study solitons in one-dimensional quadratic nonlinear photonic crystals with periodic linear and nonlinear susceptibilities. We show that such crystals support stable bright and dark solitons, even when the effective quadratic nonlinearity is zero....

High-resolution crystal structure of Streptococcus pyogenes β-NAD+ glycohydrolase in complex with its endogenous inhibitor IFS reveals a highly water-rich interface

International Nuclear Information System (INIS)

Yoon, Ji Young; An, Doo Ri; Yoon, Hye-Jin; Kim, Hyoun Sook; Lee, Sang Jae; Im, Ha Na; Jang, Jun Young; Suh, Se Won

2013-01-01

The crystal structure of the complex between the C-terminal domain of Streptococcus pyogenes β-NAD + glycohydrolase and an endogenous inhibitor for SPN was determined at 1.70 Å. It reveals that the interface between the two proteins is highly rich in water molecules. One of the virulence factors produced by Streptococcus pyogenes is β-NAD + glycohydrolase (SPN). S. pyogenes injects SPN into the cytosol of an infected host cell using the cytolysin-mediated translocation pathway. As SPN is toxic to bacterial cells themselves, S. pyogenes possesses the ifs gene that encodes an endogenous inhibitor for SPN (IFS). IFS is localized intracellularly and forms a complex with SPN. This intracellular complex must be dissociated during export through the cell envelope. To provide a structural basis for understanding the interactions between SPN and IFS, the complex was overexpressed between the mature SPN (residues 38–451) and the full-length IFS (residues 1–161), but it could not be crystallized. Therefore, limited proteolysis was used to isolate a crystallizable SPN ct –IFS complex, which consists of the SPN C-terminal domain (SPN ct ; residues 193–451) and the full-length IFS. Its crystal structure has been determined by single anomalous diffraction and the model refined at 1.70 Å resolution. Interestingly, our high-resolution structure of the complex reveals that the interface between SPN ct and IFS is highly rich in water molecules and many of the interactions are water-mediated. The wet interface may facilitate the dissociation of the complex for translocation across the cell envelope

A study of the ac Stark effect in doped photonic crystals

Energy Technology Data Exchange (ETDEWEB)

Haque, I; Singh, Mahi R [Department of Physics and Astronomy, University of Western Ontario, London, ON, N6A 3K7 (Canada)

2007-04-16

In this paper we present calculations of level populations and susceptibility for an ensemble of five-level atoms doped in a photonic crystal, using the master equation method. The atoms in the ensemble interact with the crystal which acts as a reservoir and are coupled with two strong pump fields and a weak probe field. It is found that, by manipulating the resonance energy associated with one of the decay channels of the atom, the system can be switched between an inverted and a non-inverted state. We have also observed the ac Stark effect in these atoms and have shown that due to the role played by the band structure of the photonic crystal, it is possible to switch between an absorption state and a non-absorption state of the atomic system. This is a very important finding as techniques of rendering material systems transparent to resonant laser radiation are very desirable in the fabrication of novel optical and photonic devices.

Crystal growth, morphology, thermal and spectral studies of an organosulfur nonlinear optical bis(guanidinium) 5-sulfosalicylate (BG5SS) single crystals

Science.gov (United States)

Dhavamurthy, M.; Peramaiyan, G.; Babu, K. Syed Suresh; Mohan, R.

2015-04-01

Organosulfur nonlinear optical single crystals of orthorhombic bis(guanidinium) 5-sulfosalicylate (2CH6N3 +·C7H4O6S2-·H2O) with dimension 14 mm × 4 mm × 5 mm have been grown from methanol and water solvents in 1:1 ratio by the slow evaporation growth technique. The crystal structure and morphology of the crystals have been studied by single-crystal X-ray diffraction. FTIR spectroscopic studies were carried out to identify the functional groups and vibrational modes present in the grown crystals. The UV-Vis spectrum was studied to analyze the linear optical properties of the grown crystals. The thermal gravimetric analysis was conducted on the grown crystals, and the result revealed that the grown crystal is thermally stable up to 65 °C. The dielectric tensor components ɛ 11, ɛ 22 and ɛ 33 of BG5SS crystal were evaluated as a function of frequency at 40 °C. The surface laser damage threshold for the grown crystal was measured using Nd:YAG laser. Further, Vickers micro-hardness study was carried out to analyze the mechanical strength of the grown crystals for various loads.

Photovoltaic effect in Bi2TeO5 photorefractive crystal

International Nuclear Information System (INIS)

Oliveira, Ivan de; Capovilla, Danilo Augusto; Carvalho, Jesiel F.; Montenegro, Renata; Fabris, Zanine V.; Frejlich, Jaime

2015-01-01

We report on the presence of a strong photovoltaic effect on nominally undoped photorefractive Bi 2 TeO 5 crystals and estimated their Glass photovoltaic constant and photovoltaic field for λ = 532 nm illumination. We directly measured the photovoltaic-based photocurrent in this material under λ = 532 nm wavelength laser light illumination and compared its behavior with that of a well known photovoltaic Fe-doped Lithium Niobate crystal. We also show the photovoltaic current to strongly depend on the polarization direction of light. Holographic diffraction efficiency oscillation during recording and the behavior of fringe-locked running holograms in self-stabilized experiments are also demonstrated here as additional indirect proofs of the photovoltaic nature of this material

Small-Angle Neutron Scattering Investigation of Growth Modifiers on Hydrate Crystal Surfaces

Science.gov (United States)

Sun, Thomas; Hutter, Jeffrey L.; Lin, M.; King, H. E., Jr.

1998-03-01

Hydrates are crystals consisting of small molecules enclathrated within an ice-like water cage. Suppression of their growth is important in the oil industry. The presence of small quantities of specific polymers during hydrate crystallization can induce a transition from an octahedral to planar growth habit. This symmetry breaking is surprising because of the suppression of two 111 planes relative to the other six crystallographically equivalent faces. To better understand the surface effects leading to this behavior, we have studied the surface adsorption of these growth-modifing polymers onto the hydrate crytals using SANS. The total hydrate surface area, as measured by Porod scattering, increases in the presence of the growth modifier, but, no significant increase in polymer concentration on the crystal surfaces is found. Implications for possible growth mechanisms will be discussed.

Molecular rotation-vibration dynamics of low-symmetric hydrate crystal in the terahertz region.

Science.gov (United States)

Fu, Xiaojian; Wu, Hongya; Xi, Xiaoqing; Zhou, Ji

2014-01-16

The rotational and vibrational dynamics of molecules in copper sulfate pentahydrate crystal are investigated with terahertz dielectric spectra. It is shown that the relaxation-like dielectric dispersion in the low frequency region is related to the reorientation of water molecules under the driving of terahertz electric field, whereas the resonant dispersion can be ascribed to lattice vibration. It is also found that, due to the hydrogen-bond effect, the vibrational mode at about 1.83 THz along [-111] direction softens with decreasing temperature, that is, the crystal expands in this direction when cooled. On the contrary, the mode hardens in the direction perpendicular to [-111] during the cooling process. This contributes to the further understanding of the molecular structure and bonding features of hydrate crystals.

Preliminary laboratory studies of the optical scattering properties of the crystal clouds

Directory of Open Access Journals (Sweden)

C. Saunders

Full Text Available Ice crystal clouds have an influence on the radiative budget of the earth; however, the exact size and nature of this influence has yet to be determined. A laboratory cloud chamber experiment has been set up to provide data on the optical scattering behaviour of ice crystals at a visible wavelength in order to gain information which can be used in climate models concerning the radiative characteristics of cirrus clouds. A PMS grey-scale probe is used to monitor simultaneously the cloud microphysical properties in order to correlate these closely with the observed radiative properties. Preliminary results show that ice crystals scatter considerably more at 90° than do water droplets, and that the halo effects are visible in a laboratory-generated cloud when the ice crystal concentration is sufficiently small to prevent masking from multiple scattering.

Key words. Meteorology and atmosphere dynamics · Climatology · Radiative process · Atmospheric composition and structure · Cloud physics and chemistry

Lanthanum tris[di(chloromethyl)phosphinate] dihydrate: crystal structure

International Nuclear Information System (INIS)

Aleksandrov, G.G.; Sergienko, V.S.; Afonin, E.G.

2001-01-01

X-ray diffraction analysis of the LaL 3 · 2H 2 O crystals, HL - di(chloromethyl)phosphinic acid, is conducted. Every of two crystallografically non-equivalent atoms La(1), La(2) is bound with six O(P) atoms of six L - anions performing function of bidentate μ 2 -bridge ligand in the top of pentagonal bipyramid and with O(w) atom of water molecule. La(H 2 O)L 3 particles of the both types are associated in polymer chains along the x axis of the crystal. Chains are conducted through hydrogen bonds O-H···O between coordinated and crystallization molecules of water as well as through short contacts Cl···Cl. Monophase state of polycrystal sample of complex was shown by method of X-ray diffraction of powder [ru

The Effect of Chain Structures on the Crystallization Behavior and Membrane Formation of Poly(Vinylidene Fluoride Copolymers

Directory of Open Access Journals (Sweden)

Wenzhong Ma

2014-05-01

Full Text Available The crystallization behaviors of two copolymers of PVDF were studied, and the effect of copolymerized chains on the crystallization behavior was investigated. The results indicated that both copolymers had a lowered crystallization temperature and crystallinity. The crystallization rate was improved by the copolymer with symmetrical units in PVDF chains, but hindered by asymmetrical units, compared with the neat PVDF. The symmetrical units in PVDF chains favored the β-crystals with fiber-like structures. According to the solubility parameter rule, methyl salicylate (MS can be chosen as a diluent for PVDF copolymers. Both diluted systems had liquid-liquid (L-L regions in the phase diagrams, which was due to the lowered crystallization temperature.

Crystallization from microemulsions ? a novel method for the preparation of new crystal forms of aspartame

Science.gov (United States)

Füredi-Milhofer, Helga; Garti, N.; Kamyshny, A.

1999-03-01

Solubilization and crystallization of the artificial sweetener aspartame (APM), in water/isooctane microemulsions stabilized with sodium diisooctyl sulfosuccinate (AOT) has been investigated. The amount of aspartame that could be solubilized depended primarily on the amount of surfactant and on the temperature. The maximum AOT/aspartame molar ratio at the w/o interface is shown to be 6.2 at 25°C. It was concluded that the dipeptide is located at the w/o interface interspersed between surfactant molecules and that it acts as a cosurfactant. A new crystal form, APM III, was obtained by cooling of hot w/isooctane/AOT microemulsions containing solubilized aspartame. The new crystal form exhibits a distinct X-ray diffraction powder pattern, as well as changes in the FTIR spectra, thermogravimetric and DSC patterns. H-NMR spectra of APM III dissolved in D 2O were identical to the spectrum of commercial aspartame recorded under the same conditions. The new crystal form has greatly improved dissolution kinetics.

Water purification using organic salts

Science.gov (United States)

Currier, Robert P.

2004-11-23

Water purification using organic salts. Feed water is mixed with at least one organic salt at a temperature sufficiently low to form organic salt hydrate crystals and brine. The crystals are separated from the brine, rinsed, and melted to form an aqueous solution of organic salt. Some of the water is removed from the aqueous organic salt solution. The purified water is collected, and the remaining more concentrated aqueous organic salt solution is reused.

Effect of pressure on the crystal field splitting in rare earth pnictides and chalcogenides

International Nuclear Information System (INIS)

Schirber, J.E.; Weaver, H.T.

1978-01-01

The experimental situation for the pressure dependence of the crystal field of praseodymium pnictides and chalcogenides is reviewed and compared with the predictions of the point charge model. The problem of separating exchange and crystal field contributions from the measured NMR frequency shift or susceptibility measurements is discussed as well as problems explaining these effects with conduction electron related models

Evaluation of water repellent treatments applied to stones used in andalusian cathedrals. II. Salt crystallization test

Directory of Open Access Journals (Sweden)

Villegas Sánchez, R.

1993-06-01

Full Text Available In a previous paper we have studied the changes that have ocurred in the properties related to water access and movement in the stone after the application of water repellent treatments. In this work we compare the weathering resistance of treated and untreated samples by means of sodium sulphate crystallization test. After finishing the test (75 cycles properties related to water have been measured again to know if the treatments have undergone any kind of deterioration and lose their water repellent characteristics.

En un artículo anterior se han evaluado los cambios producidos en las propiedades relacionadas con el acceso y movimiento de agua en la piedra como consecuencia de la aplicación de tratamientos de hidrofugación. En este trabajo se compara la resistencia a la alteración producida por sales de las probetas tratadas y sin tratar, sometiéndolas al ensayo de cristalización de sulfato sódico. Tras finalizar el ensayo (75 ciclos se han medido nuevamente las propiedades relacionadas con el agua, con objeto de comprobar si los tratamientos han sufrido alguna alteración y si mantienen sus características hidrófugas.

Impact of aerosols on ice crystal size

Directory of Open Access Journals (Sweden)

B. Zhao

2018-01-01

Full Text Available The interactions between aerosols and ice clouds represent one of the largest uncertainties in global radiative forcing from pre-industrial time to the present. In particular, the impact of aerosols on ice crystal effective radius (Rei, which is a key parameter determining ice clouds' net radiative effect, is highly uncertain due to limited and conflicting observational evidence. Here we investigate the effects of aerosols on Rei under different meteorological conditions using 9-year satellite observations. We find that the responses of Rei to aerosol loadings are modulated by water vapor amount in conjunction with several other meteorological parameters. While there is a significant negative correlation between Rei and aerosol loading in moist conditions, consistent with the "Twomey effect" for liquid clouds, a strong positive correlation between the two occurs in dry conditions. Simulations based on a cloud parcel model suggest that water vapor modulates the relative importance of different ice nucleation modes, leading to the opposite aerosol impacts between moist and dry conditions. When ice clouds are decomposed into those generated from deep convection and formed in situ, the water vapor modulation remains in effect for both ice cloud types, although the sensitivities of Rei to aerosols differ noticeably between them due to distinct formation mechanisms. The water vapor modulation can largely explain the difference in the responses of Rei to aerosol loadings in various seasons. A proper representation of the water vapor modulation is essential for an accurate estimate of aerosol–cloud radiative forcing produced by ice clouds.

Impact of aerosols on ice crystal size

Science.gov (United States)

Zhao, Bin; Liou, Kuo-Nan; Gu, Yu; Jiang, Jonathan H.; Li, Qinbin; Fu, Rong; Huang, Lei; Liu, Xiaohong; Shi, Xiangjun; Su, Hui; He, Cenlin

2018-01-01

The interactions between aerosols and ice clouds represent one of the largest uncertainties in global radiative forcing from pre-industrial time to the present. In particular, the impact of aerosols on ice crystal effective radius (Rei), which is a key parameter determining ice clouds' net radiative effect, is highly uncertain due to limited and conflicting observational evidence. Here we investigate the effects of aerosols on Rei under different meteorological conditions using 9-year satellite observations. We find that the responses of Rei to aerosol loadings are modulated by water vapor amount in conjunction with several other meteorological parameters. While there is a significant negative correlation between Rei and aerosol loading in moist conditions, consistent with the "Twomey effect" for liquid clouds, a strong positive correlation between the two occurs in dry conditions. Simulations based on a cloud parcel model suggest that water vapor modulates the relative importance of different ice nucleation modes, leading to the opposite aerosol impacts between moist and dry conditions. When ice clouds are decomposed into those generated from deep convection and formed in situ, the water vapor modulation remains in effect for both ice cloud types, although the sensitivities of Rei to aerosols differ noticeably between them due to distinct formation mechanisms. The water vapor modulation can largely explain the difference in the responses of Rei to aerosol loadings in various seasons. A proper representation of the water vapor modulation is essential for an accurate estimate of aerosol-cloud radiative forcing produced by ice clouds.

Effect of H+ implantation on the optical properties of semi-insulating GaAs crystals in the IR spectral region

International Nuclear Information System (INIS)

Klyui, N. I.; Lozinskii, V. B.; Liptuga, A. I.; Dikusha, V. N.; Oksanych, A. P.; Kogdas’, M. G.; Perekhrest, A. L.; Pritchin, S. E.

2017-01-01

The optical properties of semi-insulating GaAs crystals subjected to multienergy hydrogen-ion implantation and treatment in a high-frequency electromagnetic field are studied in the infrared spectral region. It is established that such combined treatment provides a means for substantially increasing the transmittance of GaAs crystals to values characteristic of crystals of high optical quality. On the basis of analysis of the infrared transmittance and reflectance data, Raman spectroscopy data, and atomic-force microscopy data on the surface morphology of the crystals, a physical model is proposed to interpret the effects experimentally observed in the crystals. The model takes into account the interaction of radiation defects with the initial structural defects in the crystals as well as the effect of compensation of defect centers by hydrogen during high-frequency treatment.

Controlling Vapor Pressure In Hanging-Drop Crystallization

Science.gov (United States)

Carter, Daniel C.; Smith, Robbie

1988-01-01

Rate of evaporation adjusted to produce larger crystals. Device helps to control vapor pressure of water and other solvents in vicinity of hanging drop of solution containing dissolved enzyme protein. Well of porous frit (sintered glass) holds solution in proximity to drop of solution containing protein or enzyme. Vapor from solution in frit controls evaporation of solvent from drop to control precipitation of protein or enzyme. With device, rate of nucleation limited to decrease number and increase size (and perhaps quality) of crystals - large crystals of higher quality needed for x-ray diffraction studies of macromolecules.

Modeling thermo-optic effect in large mode area double cladding photonic crystal fibers

Science.gov (United States)

Coscelli, Enrico; Cucinotta, Annamaria

2014-02-01

The impact of thermally-induced refractive index changes on the single-mode (SM) properties of large mode area (LMA) photonic crystal fibers are thoroughly investigated by means of a full-vector modal solver with integrated thermal model. Three photonic crystal fiber designs are taken into account, namely the 19-cell core fiber, the large-pitch fiber (LPF) and the distributed modal filtering (DMF) fiber, to assess the effects of the interplay between thermal effects and the high-order mode (HOM) suppression mechanisms exploited in order to obtain effectively SM guiding. The results have shown significant differences in the way the SM regime is changed by the increase of heat load, providing useful hints for the design of LMA fibers for high power lasers.

Effect of Different Crystallization Techniques on the Dissolution ...

African Journals Online (AJOL)

HP

Methods: Ketoprofen crystals were prepared by various crystallization technique including spherical .... infrared. (FTIR) spectroscopy. FTIR spectral measurements were taken at ambient temperature (Shimadzu, model 8033,. USA). About 2 mg of the pure drug, as well as ... stored samples and the data compared with.

The Faraday effect of an antiferromagnetic photonic crystal with a defect layer

International Nuclear Information System (INIS)

Wang Xuanzhang

2005-01-01

A theoretical calculation of the Faraday optical rotation effect of an antiferromagnetic (AF) photonic crystal is presented. This crystal is composed of AF and dielectric (D) layers and contains an AF defect layer. From the theoretical results for the FeF 2 -SiO 2 crystal, we see a defect mode with high transmission and a high Faraday rotation angle in the optical stop band for ω/2πc -1 . The Faraday rotation of the mode is about 28 deg. mm -1 and 15 times that of the single AF film. Another more striking property is that the rotation in the vicinity of the zero-field AF resonance frequency is even larger than that of the defect mode: about 250 times. The Faraday rotation can be tuned by changing the strength of the external static magnetic field

The ion capturing effect of 5° SiOx alignment films in liquid crystal devices

Science.gov (United States)

Huang, Yi; Bos, Philip J.; Bhowmik, Achintya

2010-09-01

We show that SiOx, deposited at 5° to the interior surface of a liquid crystal cell allows for a surprisingly substantial reduction in the ion concentration of liquid crystal devices. We have investigated this effect and found that this type of film, due to its surface morphology, captures ions from the liquid crystal material. Ion adsorption on 5° SiOx film obeys the Langmuir isotherm. Experimental results shown allow estimation of the ion capturing capacity of these films to be more than an order of 10 000/μm2. These types of materials are useful for new types of very low power liquid crystal devices such as e-books.

Surface and zeta-potentials of silver halide single crystals: pH-dependence in comparison to particle systems

International Nuclear Information System (INIS)

Selmani, Atiða; Kallay, Nikola; Preočanin, Tajana; Lützenkirchen, Johannes

2014-01-01

We have carried out surface and zeta-potential measurements on AgCl and AgBr single crystals. As for particle systems we find that, surprisingly and previously unnoted, the zeta-potential exhibits pH-dependence, while the surface potential does not. A possible interpretation of these observations is the involvement of water ions in the interfacial equilibria and in particular, stronger affinity of the hydroxide ion compared to the proton. The pH-dependence of the zeta-potential can be suppressed at sufficiently high silver concentrations, which agrees with previous measurements in particle systems where no pH-dependence was found at high halide ion concentrations. The results suggest a subtle interplay between the surface potential determining the halide and silver ion concentrations, and the water ions. Whenever the charge due to the halide and silver ions is sufficiently high, the influence of the proton/hydroxide ion on the zeta-potential vanishes. This might be related to the water structuring at the relevant interfaces which should be strongly affected by the surface potential. Another interesting observation is accentuation of the assumed water ion effect on the zeta-potential at the flat single crystal surfaces compared to the corresponding silver halide colloids. Previous generic MD simulations have indeed predicted that hydroxide ion adsorption is accentuated on flat/rigid surfaces. A thermodynamic model for AgI single crystals was developed to describe the combined effects of iodide, silver and water ions, based on two independently previously published models for AgI (that only consider constituent and background electrolyte ions) and inert surfaces (that only consider water and background electrolyte ions). The combined model correctly predicts all the experimentally observed trends. (paper)

Electroerosion impulse effect on W single crystal structure

International Nuclear Information System (INIS)

Aleshina, S.A.; Khvostikova, V.D.; Zolotykh, B.N.; Marchuk, A.I.

1977-01-01

The mechanism has been studied of brittle failure of single crystal tungsten on planes of crystallographic orientations [100], [110]; [111] in the process of electro-erosion machining by pulses of energies ranging from 1200 to 5000 μJ and of duration of 1 μs. It is shown that the electro-erosion machining of single crystal tungsten is characterized by the formation of a defect layer with a grid of microcracks which lie at a depth of approximately 80 μm. The appearance and the distribution of cracks on the surface of single crystals depends on the crystallogrpahic orientation

Surface freezing of water

OpenAIRE

P?rez-D?az, J. L.; ?lvarez-Valenzuela, M. A.; Rodr?guez-Celis, F.

2016-01-01

Freezing, melting, evaporation and condensation of water are essential ingredients for climate and eventually life on Earth. In the present work, we show how surface freezing of supercooled water in an open container is conditioned and triggered?exclusively?by humidity in air. Additionally, a change of phase is demonstrated to be triggered on the water surface forming surface ice crystals prior to freezing of bulk. The symmetry of the surface crystal, as well as the freezing point, depend on ...

Synthesis of single-crystal-like nanoporous carbon membranes and their application in overall water splitting

KAUST Repository

Wang, Hong

2017-01-04

Nanoporous graphitic carbon membranes with defined chemical composition and pore architecture are novel nanomaterials that are actively pursued. Compared with easy-to-make porous carbon powders that dominate the porous carbon research and applications in energy generation/conversion and environmental remediation, porous carbon membranes are synthetically more challenging though rather appealing from an application perspective due to their structural integrity, interconnectivity and purity. Here we report a simple bottom–up approach to fabricate large-size, freestanding and porous carbon membranes that feature an unusual single-crystal-like graphitic order and hierarchical pore architecture plus favourable nitrogen doping. When loaded with cobalt nanoparticles, such carbon membranes serve as high-performance carbon-based non-noble metal electrocatalyst for overall water splitting.

Synthesis of single-crystal-like nanoporous carbon membranes and their application in overall water splitting

KAUST Repository

Wang, Hong; Min, Shixiong; Ma, Chun; Liu, Zhixiong; Zhang, Weiyi; Wang, Qiang; Li, Debao; Li, Yangyang; Turner, Stuart; Han, Yu; Zhu, Haibo; Abou-Hamad, Edy; Hedhili, Mohamed N.; Pan, Jun; Yu, Weili; Huang, Kuo-Wei; Li, Lain-Jong; Yuan, Jiayin; Antonietti, Markus; Wu, Tao

2017-01-01

Nanoporous graphitic carbon membranes with defined chemical composition and pore architecture are novel nanomaterials that are actively pursued. Compared with easy-to-make porous carbon powders that dominate the porous carbon research and applications in energy generation/conversion and environmental remediation, porous carbon membranes are synthetically more challenging though rather appealing from an application perspective due to their structural integrity, interconnectivity and purity. Here we report a simple bottom–up approach to fabricate large-size, freestanding and porous carbon membranes that feature an unusual single-crystal-like graphitic order and hierarchical pore architecture plus favourable nitrogen doping. When loaded with cobalt nanoparticles, such carbon membranes serve as high-performance carbon-based non-noble metal electrocatalyst for overall water splitting.

Acousto-optical phonon excitation in cubic piezoelectric slabs and crystal growth orientation effects

DEFF Research Database (Denmark)

Willatzen, Morten; Duggen, Lars

2017-01-01

In this paper we investigate theoretically the influence of piezoelectric coupling on phonon dispersion relations. Specifically we solve dispersion relations for a fully coupled zinc-blende freestanding quantum well for different orientations of the crystal unit cell. It is shown that the phonon...... mode density in GaAs can change by a factor of approximately 2–3 at qx a = 1 for different crystal-growth directions relative to the slab thickness direction. In particular, it is found that optical and acoustic phonon modes are always piezoelectrically coupled, independent of the crystal...... that the piezoelectric effect leads to a drastically enhanced coupling of acoustic and optical phonon modes and increase in the local phonon density of states near the plasma frequency where the permittivity approaches zero....

Bulk crystal growth and their effective third order nonlinear optical properties of 2-(4-fluorobenzylidene) malononitrile (FBM) single crystal

Science.gov (United States)

Priyadharshini, A.; Kalainathan, S.

2018-04-01

2-(4-fluorobenzylidene) malononitrile (FBM), an organic third order nonlinear (TONLO) single crystal with the dimensions of 32 × 7 × 11 mm3, has been successfully grown in acetone solution by slow evaporation technique at 35 °C. The crystal system (triclinic), space group (P-1) and crystalline purity of the titular crystal were measured by single crystal and powder X-ray diffraction, respectively. The molecular weight and the multiple functional groups of the FBM material were confirmed through the mass and FT-IR spectral analysis. UV-Vis-NIR spectral study enroles that the FBM crystal exhibits excellent transparency (83%) in the entire visible and near infra-red region with a wide bandgap 2.90 eV. The low dielectric constant (εr) value of FBM crystal is appreciable for microelectronics industry applications. Thermal stability and melting point (130.09 °C) were ascertained by TGA-DSC analysis. The laser-induced surface damage threshold (LDT) value of FBM specimen is found to be 2.14 GW/cm2, it is fairly good compared to other reported NLO crystals. The third - order nonlinear optical character of the FBM crystal was confirmed through the typical single beam Z-scan technique. All these finding authorized that the organic crystal of FBM is favorably suitable for NLO applications.

radiation and electric field induced effects on the order-disorder phase in lithium sodium sulphate crystals

Science.gov (United States)

Hamed, A. E.; Kassem, M. E.; El-Wahidy, E. F.; El-Abshehy, M. A.

1995-03-01

The temperature dependence of specific heat at constant pressure, Cp(T), has been measured for lithium sodium sulphate, LiNaSo4 crystals, at different ?-radiation doses and external bias electric field (Eb), in the temperature range 300-900 K. A nonlinear dependence of transition temperature, T1 and a remarkable change in the thermodynamic parameters, were obtained as the effect of both electric field and ?-radiation. The effect of ?-radiation doses on the phase transition in LiNaSO4 crystals was explained as due to an internal bias field, Eb, originating from the interaction of polar defects with the order parameter of the host lattice. The internal bias field effect on the behaviour of Cp(T) in LiNaSO4 crystals was similar to that of the external electric field (E).

Crystallization mechanisms of acicular crystals

Science.gov (United States)

Puel, François; Verdurand, Elodie; Taulelle, Pascal; Bebon, Christine; Colson, Didier; Klein, Jean-Paul; Veesler, Stéphane

2008-01-01

In this contribution, we present an experimental investigation of the growth of four different organic molecules produced at industrial scale with a view to understand the crystallization mechanism of acicular or needle-like crystals. For all organic crystals studied in this article, layer-by-layer growth of the lateral faces is very slow and clear, as soon as the supersaturation is high enough, there is competition between growth and surface-activated secondary nucleation. This gives rise to pseudo-twinned crystals composed of several needle individuals aligned along a crystallographic axis; this is explained by regular over- and inter-growths as in the case of twinning. And when supersaturation is even higher, nucleation is fast and random. In an industrial continuous crystallization, the rapid growth of needle-like crystals is to be avoided as it leads to fragile crystals or needles, which can be partly broken or totally detached from the parent crystals especially along structural anisotropic axis corresponding to weaker chemical bonds, thus leading to slower growing faces. When an activated mechanism is involved such as a secondary surface nucleation, it is no longer possible to obtain a steady state. Therefore, the crystal number, size and habit vary significantly with time, leading to troubles in the downstream processing operations and to modifications of the final solid-specific properties. These results provide valuable information on the unique crystallization mechanisms of acicular crystals, and show that it is important to know these threshold and critical values when running a crystallizer in order to obtain easy-to-handle crystals.

Calcite precipitates in Slovenian bottled waters.

Science.gov (United States)

Stanič, Tamara Ferjan; Miler, Miloš; Brenčič, Mihael; Gosar, Mateja

2017-06-01

Storage of bottled waters in varying ambient conditions affects its characteristics. Different storage conditions cause changes in the initial chemical composition of bottled water which lead to the occurrence of precipitates with various morphologies. In order to assess the relationship between water composition, storage conditions and precipitate morphology, a study of four brands of Slovenian bottled water stored in PET bottles was carried out. Chemical analyses of the main ions and measurements of the physical properties of water samples were performed before and after storage of water samples at different ambient conditions. SEM/EDS analysis of precipitates was performed after elapsed storage time. The results show that the presence of Mg 2+ , SO 4 2- , SiO 2 , Al, Mn and other impurities such as K + , Na + , Ba and Sr in the water controlled precipitate morphology by inhibiting crystal growth and leading to elongated rhombohedral calcite crystal forms which exhibit furrowed surfaces and calcite rosettes. Different storage conditions, however, affected the number of crystallization nuclei and size of calcite crystals. Hollow calcite spheres composed of cleavage rhombohedrons formed in the water with variable storage conditions by a combination of evaporation and precipitation of water droplets during high temperatures or by the bubble templating method.

Effect of carboxymethylcellulose on potassium bitartrate crystallization on model solution and white wine

Science.gov (United States)

Bajul, Audrey; Gerbaud, Vincent; Teychene, Sébastien; Devatine, Audrey; Bajul, Gilles

2017-08-01

Instability in bottled wines refer to tartaric salts crystallization such as potassium bitartrate (KHT). It is not desirable as consumers see the settled salts as an evidence of a poor quality control. In some cases, it causes excessive gushing in sparkling wine. We investigate the effect of two oenological carboxymethylcellulose (CMC) for KHT inhibition in a model solution of white wine by studying the impact of some properties of CMC such as the degree of polymerization, the degree of substitution, and the apparent dissociation constant determined by potentiometric titration. Polyelectrolyte adsorption is used for determining the surface and total charge and for providing information about the availability of CMC charged groups for interacting with KHT crystal faces. The inhibitory efficiency of CMC on model solution is evaluated by measuring the induction time with the help of conductimetric methods. Crystals growth with and without CMC are studied by observation with MEB and by thermal analysis using DSC. The results confirm the effectiveness of CMC as an inhibitor of KHT crystallization in a model solution. The main hypothesis of the mechanism lies in the interaction of dissociated anionic carboxymethyl groups along the cellulose backbone with positively charged layers on KHT faces like the {0 1 0} face. Key factors such as pH, CMC chain length and total charge are discusses.

The effect of roughness model on scattering properties of ice crystals

International Nuclear Information System (INIS)

Geogdzhayev, Igor; Diedenhoven, Bastiaan van

2016-01-01

We compare stochastic models of microscale surface roughness assuming uniform and Weibull distributions of crystal facet tilt angles to calculate scattering by roughened hexagonal ice crystals using the geometric optics (GO) approximation. Both distributions are determined by similar roughness parameters, while the Weibull model depends on the additional shape parameter. Calculations were performed for two visible wavelengths (864 nm and 410 nm) for roughness values between 0.2 and 0.7 and Weibull shape parameters between 0 and 1.0 for crystals with aspect ratios of 0.21, 1 and 4.8. For this range of parameters we find that, for a given roughness level, varying the Weibull shape parameter can change the asymmetry parameter by up to about 0.05. The largest effect of the shape parameter variation on the phase function is found in the backscattering region, while the degree of linear polarization is most affected at the side-scattering angles. For high roughness, scattering properties calculated using the uniform and Weibull models are in relatively close agreement for a given roughness parameter, especially when a Weibull shape parameter of 0.75 is used. For smaller roughness values, a shape parameter close to unity provides a better agreement. Notable differences are observed in the phase function over the scattering angle range from 5° to 20°, where the uniform roughness model produces a plateau while the Weibull model does not. - Highlights: • We compare scattering by hexagonal crystals for uniform and Weibull roughness models. • The Weibull shape parameter has a stronger effect on the phase function at backscattering. • DoLP is mostly affected at the side-scattering angles. • For high roughness, the two models are in relatively close agreement for a given roughness. • A plateau from 5° to 20° is observed in the phase function when using the uniform model.

Deposit control in process cooling water systems

International Nuclear Information System (INIS)

Venkataramani, B.

1981-01-01

In order to achieve efficient heat transfer in cooling water systems, it is essential to control the fouling of heat exchanger surfaces. Solubilities of scale forming salts, their growth into crystals, and the nature of the surfaces play important roles in the deposition phenomenon. Condensed phosphates, organic polymers and compounds like phosphates are effective in controlling deposition of scale forming salts. The surface active agents inhibit crystal growth and modify the crystals of the scale forming salts, and thus prevent deposition of dense, uniformly structured crystalline mass on the heat transfer surface. Understanding the mechanism of biofouling is essential to control it by surface active agents. Certain measures taken in the plant, such as back flushing, to control scaling, sometimes may not be effective and can be detrimental to the system itself. (author)

Mesoscopic surface roughness of ice crystals pervasive across a wide range of ice crystal conditions

Science.gov (United States)

Magee, N. B.; Miller, A.; Amaral, M.; Cumiskey, A.

2014-11-01

Here we show high-magnification images of hexagonal ice crystals acquired by environmental scanning electron microscopy (ESEM). Most ice crystals were grown and sublimated in the water vapor environment of an FEI-Quanta-200 ESEM, but crystals grown in a laboratory diffusion chamber were also transferred intact and imaged via ESEM. All of these images display prominent mesoscopic topography including linear striations, ridges, islands, steps, peaks, pits, and crevasses; the roughness is not observed to be confined to prism facets. The observations represent the most highly magnified images of ice surfaces yet reported and expand the range of conditions in which rough surface features are known to be conspicuous. Microscale surface topography is seen to be ubiquitously present at temperatures ranging from -10 °C to -40 °C, in supersaturated and subsaturated conditions, on all crystal facets, and irrespective of substrate. Despite the constant presence of surface roughness, the patterns of roughness are observed to be dramatically different between growing and sublimating crystals, and transferred crystals also display qualitatively different patterns of roughness. Crystals are also demonstrated to sometimes exhibit inhibited growth in moderately supersaturated conditions following exposure to near-equilibrium conditions, a phenomenon interpreted as evidence of 2-D nucleation. New knowledge about the characteristics of these features could affect the fundamental understanding of ice surfaces and their physical parameterization in the context of satellite retrievals and cloud modeling. Links to supplemental videos of ice growth and sublimation are provided.

Protein crystal growth in low gravity

Science.gov (United States)

Feigelson, Robert S.

1993-01-01

This Final Technical Report for NASA Grant NAG8-774 covers the period from April 27, 1989 through December 31, 1992. It covers five main topics: fluid flow studies, the influence of growth conditions on the morphology of isocitrate lyase crystals, control of nucleation, the growth of lysozyme by the temperature gradient method and graphoepitaxy of protein crystals. The section on fluid flow discusses the limits of detectability in the Schlieren imaging of fluid flows around protein crystals. The isocitrate lyase study compares crystals grown terrestrially under a variety of conditions with those grown in space. The controlling factor governing the morphology of the crystals is the supersaturation. The lack of flow in the interface between the drop and the atmosphere in microgravity causes protein precipitation in the boundary layer and a lowering of the supersaturation in the drop. This lowered supersaturation leads to improved crystal morphology. Preliminary experiments with lysozyme indicated that localized temperature gradients could be used to nucleate crystals in a controlled manner. An apparatus (thermonucleator) was designed to study the controlled nucleation of protein crystals. This apparatus has been used to nucleate crystals of materials with both normal (ice-water, Rochelle salt and lysozyme) and retrograde (horse serum albumin and alpha chymotrypsinogen A) solubility. These studies have lead to the design of an new apparatus that small and more compatible with use in microgravity. Lysozyme crystals were grown by transporting nutrient from a source (lysozyme powder) to the crystal in a temperature gradient. The influence of path length and cross section on the growth rate was demonstrated. This technique can be combined with the thermonucleator to control both nucleation and growth. Graphoepitaxy utilizes a patterned substrate to orient growing crystals. In this study, silicon substrates with 10 micron grooves were used to grow crystals of catalase

Research and Development of Crystal Purification for Product of Uranium Crystallization Process

Energy Technology Data Exchange (ETDEWEB)

Yano, K. [Japan Atomic Energy Agency - JAEA (Japan)

2009-06-15

outside of UNH single crystal and that they make no eutectoid with UNH. On the other hand, it is confirmed that sweating and melting-filtration operations were effective in principle by the experiment with uranium and simulated FP system. After that, its effects verified by beaker scale experiments with the system including plutonium and irradiated fuel. Additionally, engineering scale tests were carried out with a Kureha Crystal Purifier (KCP) type testing device to evaluate that its performance was suitable for UNH purification. This work was supported by the Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT). (authors)

Liquid crystal interfaces: Experiments, simulations and biosensors

Science.gov (United States)

Popov, Piotr

hydrocarbon surfaces at the atomic level. I show that the vertical alignment of a rod-like liquid crystal molecule first requires its insertion into the alignment layer. In CHAPTER 4, I investigate the Brownian behavior of a tracer molecule at an oil/water interface and explain the experimentally-observed anomaly of its increased mobility. Following my molecular dynamics simulation studies of liquid interfaces, I continue my work in CHAPTER 5 with experimental research. I employ the high sensitivity of liquid crystal alignment to the presence of amphiphiles adsorbed to the liquid crystal surface from water for potential biosensor applications. I propose a more accurate method of sensing using circular polarization and spectrophotometry. In CHAPTER 6, I investigate if cholesteric and smectic liquid crystals can potentially offer new modes of biosensing. In CHAPTER 7, I describe preliminary results toward constructing a liquid crystal biosensor platform with capabilities of specific sensitivity using proteins and antibodies. Finally in CHAPTER 8, I summarize the findings of my studies and research and suggest possible future experiments to further advance our knowledge in interfacial science for future applications.

Vocational Self-Concept Crystallization as a Mediator of the Relationship between Career Self-Management and Job Decision Effectiveness

Science.gov (United States)

Weng, Qingxiong; McElroy, James C.

2010-01-01

This article examines the influence of career self-management and vocational self-concept crystallization on job decision effectiveness and how vocational self-concept crystallization mediates the relationship between career self-management and job decision effectiveness. Six hundred and eleven Chinese employees participated in the research. Using…

Experimental Study of Electronic Quantum Interference, Photonic Crystal Cavity, Photonic Band Edge Effects for Optical Amplification

Science.gov (United States)

2016-01-26

AFRL-RV-PS- AFRL-RV-PS- TR-2016-0003 TR-2016-0003 EXPERIMENTAL STUDY OF ELECTRONIC QUANTUM INTERFERENCE , PHOTONIC CRYSTAL CAVITY, PHOTONIC BAND...EDGE EFFECTS FOR OPTICAL AMPLIFICATION Shawn-Yu Lin Rensselaer Polytechnic Institute 110 8th Street Troy, New York 12180 26 Jan 2016 Final Report...2014 – 11 Jan 2016 4. TITLE AND SUBTITLE Experimental Study of Electronic Quantum Interference , Photonic Crystal Cavity, Photonic Band Edge Effects

Evaluation of secondary crystallization effect in poly hydroxybutyrate and silanized coir dust composites

International Nuclear Information System (INIS)

Mello, Carolina C. de; Costa, Marysilvia F. da; Thire, Rossana M.S.M.

2011-01-01

Polyhydroxybutyrate is a natural and biodegradable polyester, susceptible to secondary crystallization when it is stored at environment temperature. Coir dust is an agroindustrial waste which has good prospects for use as filler in composites. In this context, PHB-coir dust composites were produced. The compatibilization was made by coir dust silanization. The secondary crystallization evolution on materials was evaluated by x-ray diffraction. Its effect was verified by tension tests which presented that elastic modulus increases when crystallinity increases. (author)

Review of aragonite and calcite crystal morphogenesis in thermal spring systems

Science.gov (United States)

Jones, Brian

2017-06-01

Aragonite and calcite crystals are the fundamental building blocks of calcareous thermal spring deposits. The diverse array of crystal morphologies found in these deposits, which includes monocrystals, mesocrystals, skeletal crystals, dendrites, and spherulites, are commonly precipitated under far-from-equilibrium conditions. Such crystals form through both abiotic and biotic processes. Many crystals develop through non-classical crystal growth models that involve the arrangement of nanocrystals in a precisely controlled crystallographic register. Calcite crystal morphogenesis has commonly been linked to a ;driving force;, which is a conceptual measure of the distance of the growth conditions from equilibrium conditions. Essentially, this scheme indicates that increasing levels of supersaturation and various other parameters that produce a progressive change from monocrystals and mesocrystals to skeletal crystals to crystallographic and non-crystallographic dendrites, to dumbbells, to spherulites. Despite the vast amount of information available from laboratory experiments and natural spring systems, the precise factors that control the driving force are open to debate. The fact that calcite crystal morphogenesis is still poorly understood is largely a reflection of the complexity of the factors that influence aragonite and calcite precipitation. Available information indicates that variations in calcite crystal morphogenesis can be attributed to physical and chemical parameters of the parent water, the presence of impurities, the addition of organic or inorganic additives to the water, the rate of crystal growth, and/or the presence of microbes and their associated biofilms. The problems in trying to relate crystal morphogenesis to specific environmental parameters arise because it is generally impossible to disentangle the controlling factor(s) from the vast array of potential parameters that may act alone or in unison with each other.

Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

Directory of Open Access Journals (Sweden)

R. S. Sreenivasan

2013-01-01

Full Text Available In the present work, metal (Cu2+-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in monoclinic system with noncentrosymmetric space group P21 with lattice parameters a=11.28 Å, b=5.98 Å, c=5.71 Å, α=90∘, β=98.57, γ=90∘, and V=381 (Å3, which agrees very well with the reported value. The sharp and strong peaks in the powder X-ray diffraction pattern confirm the good crystallinity of the grown crystals. The presence of dopants marginally altered the lattice parameters without affecting the basic structure of the crystal. The UV-Vis transmittance spectrum shows that the crystal has a good optical transmittance in the entire visible region with lower cutoff wavelength 314 nm. The vibrational frequencies of various functional groups in the crystals have been derived from FT-IR analysis. Based on the shifts in the vibrations, the presence of copper in the lattice of the grown crystal is clearly established from the pure ninhydrin crystals. Both dielectric constant and dielectric loss decrease with the increase in frequency. The second harmonic generation efficiency was measured by employing powder Kurtz method.

Surface Treatment And Protection Method For Cadium Zinc Telluride Crystals

Science.gov (United States)

Wright, Gomez W.; James, Ralph B.; Burger, Arnold; Chinn, Douglas A.

2006-02-21

A method for treatment of the surface of a CdZnTe (CZT) crystal that provides a native dielectric coating to reduce surface leakage currents and thereby, improve the resolution of instruments incorporating detectors using CZT crystals. A two step process is disclosed, etching the surface of a CZT crystal with a solution of the conventional bromine/methanol etch treatment, and after attachment of electrical contacts, passivating the CZT crystal surface with a solution of 10 w/o NH4F and 10 w/o H2O2 in water.

Spin-to-orbital momentum conversion via electro-optic Pockels effect in crystals

International Nuclear Information System (INIS)

Skab, Ihor; Vasylkiv, Yurij; Smaga, Ihor; Vlokh, Rostyslav

2011-01-01

In the present work we have demonstrated a possibility for operation by orbital angular momentum (OAM) of optical beams via the Pockels effect in solid-crystalline materials. Based on the analysis of an optical Fresnel ellipsoid perturbed by a conically shaped electric field, we have shown that the point groups of crystals convenient for the conversion of spin angular momentum (SAM) to OAM should contain a threefold symmetry axis or a sixfold inversion axis. The results of our experimental studies and theoretical simulations of the SAM-to-OAM conversion efficiency carried out for LiNbO 3 crystals agree well with each other.

A method to evaluate the effect of contact with excipients on the surface crystallization of amorphous drugs.

Science.gov (United States)

Zhang, Si-Wei; Yu, Lian; Huang, Jun; Hussain, Munir A; Derdour, Lotfi; Qian, Feng; de Villiers, Melgardt M

2014-12-01

Amorphous drugs are used to improve the solubility, dissolution, and bioavailability of drugs. However, these metastable forms of drugs can transform into more stable, less soluble, crystalline counterparts. This study reports a method for evaluating the effect of commonly used excipients on the surface crystallization of amorphous drugs and its application to two model amorphous compounds, nifedipine and indomethacin. In this method, amorphous samples of the drugs were covered by excipients and stored in controlled environments. An inverted light microscope was used to measure in real time the rates of surface crystal nucleation and growth. For nifedipine, vacuum-dried microcrystalline cellulose and lactose monohydrate increased the nucleation rate of the β polymorph from two to five times when samples were stored in a desiccator, while D-mannitol and magnesium stearate increased the nucleation rate 50 times. At 50% relative humidity, the nucleation rates were further increased, suggesting that moisture played an important role in the crystallization caused by the excipients. The effect of excipients on the crystal growth rate was not significant, suggesting that contact with excipients influences the physical stability of amorphous nifedipine mainly through the effect on crystal nucleation. This effect seems to be drug specific because for two polymorphs of indomethacin, no significant change in the nucleation rate was observed under the excipients.

Effects of chlorine and other water quality parameters on the release of silver nanoparticles from a ceramic surface.

Science.gov (United States)

Bielefeldt, Angela R; Stewart, Michael W; Mansfield, Elisabeth; Scott Summers, R; Ryan, Joseph N

2013-08-01

A quartz crystal microbalance was used to determine the effects of different water quality parameters on the detachment of silver nanoparticles from surfaces representative of ceramic pot filters (CPFs). Silver nanoparticles stabilized with casein were used in the experiments. The average hydrodynamic diameter of the nanoparticles ranged from 20 nm to 100 nm over a pH range of 6.5-10.5. The isoelectric point was about 3.5 and the zeta potential was -45 mV from pH 4.5 to 9.5. The silver nanoparticles were deposited onto silica surfaces and a quartz crystal microbalance was used to monitor silver release from the surface. At environmentally relevant ranges of pH (4.8-9.3), ionic strength (0 and 150 mol/m(3) NaNO3 or 150 mol/m(3) Ca(NO3)2), and turbidity (0 and 51.5 NTU kaolin clay), the rates of silver release were similar. A high concentration of sodium chloride and bacteria (Echerichia coli in 10% tryptic soy broth) caused rapid silver release. Water containing sodium hypochlorite removed 85% of the silver from the silica surface within 3 h. The results suggest that contact between CPFs and prechlorinated water or bleach CPF cleaning should be avoided. Copyright © 2013 Elsevier Ltd. All rights reserved.

Coenzyme- and His-tag-induced crystallization of octopine dehydrogenase

International Nuclear Information System (INIS)

Smits, Sander H. J.; Mueller, Andre; Grieshaber, Manfred K.; Schmitt, Lutz

2008-01-01

The crystal structure of octopine dehydrogenase revealed a specific role of the His 5 tag in inducing the crystal contacts required for successful crystallization. Over the last decade, protein purification has become more efficient and standardized through the introduction of affinity tags. The choice and position of the tag, however, can directly influence the process of protein crystallization. Octopine dehydrogenase (OcDH) without a His tag and tagged protein constructs such as OcDH-His 5 and OcDH-LEHis 6 have been investigated for their crystallizability. Only OcDH-His 5 yielded crystals; however, they were multiple. To improve crystal quality, the cofactor NADH was added, resulting in single crystals that were suitable for structure determination. As shown by the structure, the His 5 tag protrudes into the cleft between the NADH and l-arginine-binding domains and is mainly fixed in place by water molecules. The protein is thereby stabilized to such an extent that the formation of crystal contacts can proceed. Together with NADH, the His 5 tag obviously locks the enzyme into a specific conformation which induces crystal growth

The Effect of Anisotropy on Light Extraction of Organic Light-Emitting Diodes with Photonic Crystal Structure

Directory of Open Access Journals (Sweden)

Wei Xu

2013-01-01

Full Text Available The light extraction efficiency of organic light-emitting diodes (OLED is greatly limited due to the difference in refractive indexes between materials of OLED. We fabricated OLED with photonic crystal microstructures in the interface between the glass substrate and the ITO anode. The light extraction efficiency can be improved by utilizing photonic crystals; however, the anisotropy effect of light extraction was clearly observed in experiment. To optimize the device performance, the effect of photonic crystal on both light extraction and angular distribution was investigated using finite-difference time domain (FDTD method. We simulated the photonic crystals with the structure of square lattice and triangle lattice. We analyzed the improvement of these structures in the light extraction efficiency of the OLED and the influence of arrangement, depth, period, and diameter on anisotropy. The optimized geometric parameters were provided, which will provide the theoretical support for designing the high performance OLED.

Effect of Sn additive on the structure and crystallization kinetics in Ge–Se alloy

Energy Technology Data Exchange (ETDEWEB)

Abd-Elrahman, M.I., E-mail: mostafaia11@yahoo.com; Hafiz, M.M.; Abdelraheem, A.M.; Abu-Sehly, A.A.

2016-08-05

The structure of Ge{sub 20}Se{sub 80−x}Snx glassy alloys and crystallization phases are identified using the X-ray diffraction (XRD) and Scanning Electron Microscope (SEM). The glass transition kinetics and the crystallization mechanism of the system are studied using Differential Scanning Calorimeter (DSC) under non-isothermal condition. The results reveal that glass transition temperature (Tg) increases with increasing Sn content which is attributed to the increase in the coordination number. The increase of the glass transition activation energy (Eg) with increasing Sn content is attributed to the decrease in the internal energy of the system as Sn increases. The compositional dependence of both glass forming ability and thermal stability are studied. From the experimental data, the thermal stability parameter (S) is found to be maximum for Ge{sub 20}Se{sub 78}Sn{sub 2} alloy, which indicates that this alloy is thermally more stable in the composition range under investigation. The effect of composition on the crystallization mechanism is discussed using different kinetic models. The crystallization activation energy (Ec) decreases with increasing Sn. This is attributed to the addition of Sn increases the tendency of crystallization. The calculated values of Avrami exponent (n) indicates the crystallization process occurs in one-and two dimensions for Sn is less than or equals 12 at%, respectively. - Highlights: • Glass and crystallization transitions in Ge{sub 20}Se{sub 80−x}Sn{sub x} candidate for devices. • The addition of Sn increases the tendency of Ge-Se alloy to crystallization. • The glass forming ability and thermal stability increase as Sn decreases. • The dimension of the crystals growth is one or two depending on the Sn content.

Effect of H{sup +} implantation on the optical properties of semi-insulating GaAs crystals in the IR spectral region

Energy Technology Data Exchange (ETDEWEB)

Klyui, N. I.; Lozinskii, V. B., E-mail: lvb@isp.kiev.ua [Jilin University, College of Physics (China); Liptuga, A. I.; Dikusha, V. N. [National Academy of Sciences of Ukraine, Lashkaryov Institute of Semiconductor Physics (Ukraine); Oksanych, A. P.; Kogdas’, M. G.; Perekhrest, A. L.; Pritchin, S. E. [Kremenchug National University (Ukraine)

2017-03-15

The optical properties of semi-insulating GaAs crystals subjected to multienergy hydrogen-ion implantation and treatment in a high-frequency electromagnetic field are studied in the infrared spectral region. It is established that such combined treatment provides a means for substantially increasing the transmittance of GaAs crystals to values characteristic of crystals of high optical quality. On the basis of analysis of the infrared transmittance and reflectance data, Raman spectroscopy data, and atomic-force microscopy data on the surface morphology of the crystals, a physical model is proposed to interpret the effects experimentally observed in the crystals. The model takes into account the interaction of radiation defects with the initial structural defects in the crystals as well as the effect of compensation of defect centers by hydrogen during high-frequency treatment.

Nanoparticles in liquid crystals, and liquid crystals in nanoparticles

Science.gov (United States)

de Pablo, Juan

2015-03-01

Liquid crystals are remarkably sensitive to interfacial interactions. Small perturbations at a liquid crystal interface, for example, can be propagated over relatively long length scales, thereby providing the basis for a wide range of applications that rely on amplification of molecular events into macroscopic observables. Our recent research efforts have focused on the reverse phenomenon; that is, we have sought to manipulate the interfacial assembly of nanoparticles or the organization of surface active molecules by controlling the structure of a liquid crystal. This presentation will consist of a review of the basic principles that are responsible for liquid crystal-mediated interactions, followed by demonstrations of those principles in the context of two types of systems. In the first, a liquid crystal is used to direct the assembly of nanoparticles; through a combination of molecular and continuum models, it is found that minute changes in interfacial energy and particle size lead to liquid-crystal induced attractions that can span multiple orders of magnitude. Theoretical predictions are confirmed by experimental observations, which also suggest that LC-mediated assembly provides an effective means for fabrication of plasmonic devices. In the second type of system, the structure of a liquid crystal is controlled by confinement in submicron droplets. The morphology of the liquid crystal in a drop depends on a delicate balance between bulk and interfacial contributions to the free energy; that balance can be easily perturbed by adsorption of analytes or nanoparticles at the interface, thereby providing the basis for development of hierarchical assembly of responsive, anisotropic materials. Theoretical predictions also indicate that the three-dimensional order of a liquid crystal can be projected onto a two-dimensional interface, and give rise to novel nanostructures that are not found in simple isotropic fluids.

Effects of high pressure on microstructure evolution and crystallization mechanisms during solidification of nickel

Science.gov (United States)

Zhang, Hai-Tao; Mo, Yun-Fei; Liu, Rang-Su; Tian, Ze-An; Liu, Hai-Rong; Hou, Zhao-Yang; Zhou, Li-Li; Liang, Yong-Chao; Peng, Ping

2018-03-01

To deeply understand the effects of high pressure on microstructural evolutions and crystallization mechanisms of liquid metal Ni during solidification process, MD simulation studies have been performed under 7 pressures of 0 ˜ 30 GPa, at cooling rate of 1.0 × 1011 K s-1. Adopting several microstructural analyzing methods, especially the cluster-type index method (CTIM-2) to analyze the local microstructures in the system. It is found that the pressure has important influence on the formation and evolution of microstructures, especially of the main basic clusters in the system. All the simulation systems are directly solidified into crystal structures, and the 1421, 1422, 1441 and 1661 bond-types, as well the FCC (12 0 0 0 12 0), HCP (12 0 0 0 6 6) and BCC (14 6 0 8 0 0) clusters play a key role in the microstructure transitions from liquid to crystal structures. The crystallization temperature T c is enhanced almost linearly with the increase of pressure. Highly interesting, it is found for the first time that there is an important phase transformation point from FCC to BCC structures between 20 ˜ 22.5 GPa during the solidification processes from the same initial liquid system at the same cooling rate. And the effect of increasing pressure is similar to that of decreasing cooling rate for the phase transformation of microstructures during solidification process of liquid metal Ni system, though they have different concrete effecting mechanisms.

Direct measurements of conventional and anisotropic magnetocaloric effect in binary RAl2 single crystals

Science.gov (United States)

Monteiro, J. C. B.; Gandra, F. G.

2017-06-01

We report on specific heat and magnetocaloric effect (MCE) measurements in single crystals of HoAl2, DyAl2, and TbAl2 measured by a heat flux technique using Peltier devices. Those compounds order ferromagnetically at 31 K, 61 K, and 106 K respectively, and present a spin reorientation transition (SRT) below TC. We study the dependence of the SRT with magnetic field and temperature by means of specific heat measurements performed in single crystals oriented at the [" separators="| 100 ], [" separators="| 110 ], and [" separators="| 111 ] directions with the aid of calculations using a simple model. We obtained the conventional MCE for HoAl2 and TbAl2 and also the anisotropic version of the effect obtained indirectly from the specific heat for TbAl2 and DyAl2. We also present the results for a direct determination of the anisotropic MCE for DyAl2 by measuring the heat flux generated by a rotation of the single crystal under constant field.

Lattice effects in HoVo3 single crystal

International Nuclear Information System (INIS)

Sikora, M.; Marquina, C.; Ibarra, M.R.; Nugroho, A.A.; Palstra, T.T.M.

2007-01-01

We report the study of lattice effects in the Mott insulator HoVO 3 performed by means of linear thermal expansion on a single crystal in the temperature range 10-290 K. The holmium orthovanadate HoVO 3 reveals gradual orbital ordering (OO) below T OO =200 K and orders antiferromagnetically at T N =113 K. A first-order structural phase transition takes place at T S ∼38 K, which is probably accompanied by change of the OO type and hence the type of antiferromagnetic spin ordering

Effects of rotation on crystal settling in a terrestrial magma ocean: Spherical shell model

Science.gov (United States)

Maas, C.; Hansen, U.

2015-12-01

Like Moon or Mars, Earth experienced one or several deep magma ocean periods of globalextent in a later stage of its accretion. The crystallization of these magma oceans is of keyimportance for the chemical structure of Earth, the mantle evolution and the onset of platetectonics. Due to the fast rotation of early Earth and the small magma viscosity, rotationprobably had a profound effect on differentiation processes. For example, Matyska et al.[1994] propose that the distribution of heterogeneities like the two large low shear velocityprovinces (LLSVP) at the core mantle boundary is influenced by rotational dynamicsof early Earth. Further Garnero and McNamara [2008] suggest that the LLSVPs arevery long-living anomalies, probably reaching back to the time of differentiation andsolidification of Earth. However, nearly all previous studies neglect the effects of rotation.In our previous work using a Cartesian model, a strong influence of rotation as well asof latitude on the differentiation processes in an early magma ocean was revealed. Weshowed that crystal settling in an early stage of magma ocean crystallization cruciallydepends on latitude as well as on rotational strength and crystal density.In order to overcome the restrictions as to the geometry of the Cartesian model, we arecurrently developing a spherical model to simulate crystal settling in a rotating sphericalshell. This model will allow us not only to investigate crystal settling at the poles andthe equator, but also at latitudes in-between these regions, as well as the migration ofcrystals between poles and equator. ReferencesE. J. Garnero and A. K. McNamara. Structure and dynamics of earth's lower mantle.Science, 320(5876):626-628, 2008.C. Matyska, J. Moser, and D. A. Yuen. The potential influence of radiative heat transferon the formation of megaplumes in the lower mantle. Earth and Planetary ScienceLetters, 125(1):255-266, 1994.

Growth of mercuric iodide single crystals from dimethylsulfoxide

International Nuclear Information System (INIS)

Carlston, R.C.

1976-01-01

Dimethylsulfoxide is used as a solvent for the growth of red mercuric iodide (HgI 2 ) crystals for use in radiation detectors. The hygroscopic property of the solvent allows controlled amounts of water to enter into the solvent phase and diminish the large solubility of HgI 2 so that the precipitating solid collects as well-defined euhedral crystals which grow into a volume of several cc

Temperature and fluence effects in lead implanted cobalt single crystals

International Nuclear Information System (INIS)

Johansen, A.; Sarholt-Kristensen, L.; Johnson, E.; Steenstrup, S.; Chernysh, V.S.

1988-01-01

The channeled sputtering yields of the hcp and fcc phases of cobalt depend on the crystal structure and the radiation induced damage. Earlier irradiations of cobalt with argon ions channeled in the hcp direction give sputtering yields higher than expected in the temperature range 100-350deg C. This effect was attributed to a combination of radiation induced damage and a possible implantation induced hcp --> fcc phase transition. Sputtering yields for cobalt single crystals irradiated with 150 keV Pb + ions along the direction of the hcp phase and the direction of the fcc phase have been measured using the weightloss method. The radiation damage and the amount of lead retained in the implanted surface has been investigated by 'in situ' RBS/channeling analysis. Measured partial sputtering yields of lead ≅ 1 atom/ion indicate preferential sputtering of lead atoms. (orig.)

EVAPORATION FORM OF ICE CRYSTALS IN SUBSATURATED AIR AND THEIR EVAPORATION MECHANISM

OpenAIRE

ゴンダ, タケヒコ; セイ, タダノリ; Takehiko, GONDA; Tadanori, SEI

1987-01-01

The evaporation form and the evaporation mechanism of dendritic ice crystals grown in air of 1.0×(10)^5 Pa and at water saturation and polyhedral ice crystals grown in air of 4.0×10 Pa and at relatively low supersaturation are studied. In the case of dendritic ice crystals, the evaporation preferentially occurs in the convex parts of the crystal surfaces and in minute secondary branches. On the other hand, in the case of polyhedral ice crystals, the evaporation preferentially occurs in the pa...

Optical Effects Induced by Bloch Surface Waves in One-Dimensional Photonic Crystals

Directory of Open Access Journals (Sweden)

Irina V. Soboleva

2018-01-01

Full Text Available The review considers the influence of Bloch surface waves on the optical and magneto-optical effects observed in photonic crystals; for example, the Goos–Hänchen effect, the Faraday effect, optical trapping and so on. Prospects for using Bloch surface waves for spatial light modulation, for controlling the polarization of light, for optical trapping and control of micro-objects are discussed.

Electroluminescence and phototrigger effect in single crystals of GaSxSe1-x alloys

International Nuclear Information System (INIS)

Kyazym-Zade, A. G.; Salmanov, V. M.; Mokhtari, A. G.; Dadashova, V. V.; Agaeva, A. A.

2008-01-01

The effects of switching and electroluminescence as well as the interrelation between these effects in single crystals of GaS x Se 1-x alloys are detected and studied. It is established that the threshold voltage for switching depends on temperature, resistivity, and composition of alloys, and also on the intensity and spectrum of photoactive light. As a result, a phototrigger effect is observed; this effect arises under irradiation with light from the fundamental-absorption region. Electroluminescence is observed in the subthreshold region of the current-voltage characteristic; the electroluminescence intensity decreases drastically to zero as the sample is switched from a high-resistivity state to a low-resistivity state. Experimental data indicating that the electroluminescence and the switching effect are based on the injection mechanism (as it takes place in other layered crystals of the III-V type) are reported

Peak effect in untwinned YBa 2Cu 3O 7-δ single crystals

Science.gov (United States)

D'Anna, G.; André, M.-O.; Indenbom, M. V.; Benoit, W.

1994-12-01

We report on the observation of a weak effect of the critical current density in untwinned YBa 2Cu 3O 7-δ single crystals of different purity, using a low frequency torsion pendulum. We construct the peak effect line and the irreversibility line.

Crystallization from a milk-based revised simulated body fluid

International Nuclear Information System (INIS)

Dorozhkin, Sergey V; Dorozhkina, Elena I

2007-01-01

A milk-based revised simulated body fluid (milk-rSBF) was prepared by a conventional route but instead of deionized water, all necessary chemicals were dissolved in whole cow's milk (3.2% fat). In order to accelerate crystallization and increase the amount of precipitates, the influence of milk was studied from condensed solutions equal to four times the ionic concentrations of rSBF (4rSBF). The experiments were performed under physiological conditions (solution pH = 7.35-7.40, temperature 37.0 ± 0.2 deg. C, duration 7 days) in a constant-composition double-diffusion device, which provided a slow crystallization under strictly controlled conditions. Similar experiments with 4rSBF but dissolved in deionized water were used as a control. An extra set of experiments with 4rSBF dissolved in deionized water but with an addition of 40 g l -1 bovine serum albumin (BSA) was used as another control. The influence of milk appeared to be similar to that of dissolved BSA: some components of milk (presumably albumins and proteins) were found to co-precipitate with calcium phosphates, which had a strong negative influence on both the crystallinity and the crystal sizes of the precipitates. In addition, both milk and BSA strongly inhibited crystallization of calcium phosphates: the precipitates turned out to contain a minor amount of calcium phosphates and a substantial amount of organic phase

Crystallization Analysis and Control of Ammonia-Based Air Source Absorption Heat Pump in Cold Regions

Directory of Open Access Journals (Sweden)

Wei Wu

2013-01-01

Full Text Available Energy consumption of heating and domestic hot water is very high and will keep increasing. Air source absorption heat pump (ASAHP was proposed to overcome the problems of low energy efficiency and high air pollution existing in boiler systems, as well as the problem of bad performance under low ambient temperatures for electrical heat pumps. In order to investigate the crystallization possibility of ammonia-salt ASAHP, crystallization margin (evaluated by solution mass concentration at generating temperature ranging from 100 to 150°C, evaporating temperature from −30 to 10°C, and condensing temperature from 30 to 65°C are analyzed. To prevent the NH3–NaSCN solution from crystallizing, ASAHP integrated with pressure booster located between the evaporator and absorber is simulated. Analysis and comparisons show that NH3–NaSCN is easy to crystallize at relatively high generating temperature, low evaporating temperature, and low condensing temperature. But crystallization margin of NH3–LiNO3 can always stay above 5% for most conditions, keeping away from crystallization. Pressure booster can effectively avoid the crystallization problem that will take place in the NH3–NaSCN ASAHP system.

Avaliação da cristalização de mel utilizando parâmetros de cor e atividade de água Evaluation of honey crystallization from the colour and water activity parameters

Directory of Open Access Journals (Sweden)

Alini Mari Kuroishi

2012-03-01

Full Text Available O mel é um dos edulcorantes mais antigos utilizados pelo homem, sendo composto principalmente de monossacarídeos, como a glicose e a frutose, responsáveis em parte pela sua cristalização. A cristalização varia segundo diversos fatores, como a concentração de açúcares, o teor de água na sua composição natural, a procedência floral do néctar, o manuseio durante seu processamento, bem como as condições de estocagem. O presente trabalho teve como objetivo avaliar o efeito da temperatura e da incorporação de cristais de mel na cristalização do mel utilizando como parâmetro de acompanhamento a cor, por meio da determinação do Índice de Brancura (IB e variação da luminosidade (∆L*, e a atividade de água. Utilizou-se um delineamento experimental fatorial 2², tendo-se como variáveis o percentual de cristais de mel adicionado e a temperatura de armazenamento. Apenas as amostras armazenadas à temperatura de 11 e 21 °C cristalizaram, sendo mais evidente a cristalização da amostra armazenada em 11 °C, que foi adicionada de 5% de cristais de mel. O aumento da atividade de água e o aumento no Índice de Brancura (IB, assim como o ∆L*, foram correlacionados com a cristalização das amostras. A maior variação obtida para os valores de ∆L* encontram-se na região de temperatura de armazenamento de 11 °C, na qual as amostras cristalizaram mais rapidamente.Honey is one of the oldest sweeteners used by man, composed mainly of monosaccharides such as glucose and fructose, partially responsible for its crystallization. Honey crystallization depends on several factors, such as the sugar concentrations, natural percentage of water, the floral origin of the nectar, handling during processing and the storage conditions. The present work aimed to evaluate the effect of temperature and of the incorporation of honey crystals on honey crystallization, using the colour (as determined by the Whiteness Index - WI and changes in the

Electro-optical effect of a magnetically biased ferronematic liquid crystal.

Science.gov (United States)

Chen, S H; Liang, B J

1988-09-01

The electro-optical effect of a magnetically biased ferronematic liquid-crystal film is investigated by using birefringence measurements. When a magnetic field is applied, the threshold voltage of the Freedericksz transition no longer exists. The dependence of the birefringence on the magnetic field strength in the low field regime is presented. A theory that accounts for the results is given.

Photonic crystal fibers

DEFF Research Database (Denmark)

Lægsgaard, Jesper; Hansen, K P; Nielsen, M D

2003-01-01

Photonic crystal fibers having a complex microstructure in the transverse plane constitute a new and promising class of optical fibers. Such fibers can either guide light through total internal reflection or the photonic bandgap effect, In this paper, we review the different types and applications...... of photonic crystal fibers with particular emphasis on recent advances in the field....

Effect of Cooling Rates on Shape and Crystal Size Distributions of Mefenamic Acid Polymorph in Ethyl Acetate

Science.gov (United States)

Mudalip, S. K. Abdul; Adam, F.; Parveen, J.; Abu Bakar, M. R.; Amran, N.; Sulaiman, S. Z.; Che Man, R.; Arshad, Z. I. Mohd; Shaarani, S. Md.

2017-06-01

This study investigate the effect of cooling rates on mefenamic acid crystallisation in ethyl acetate. The cooling rate was varied from 0.2 to 5 °C/min. The in-line conductivity system and turbidity system were employed to detect the onset of the crystallization process. The crystals produced were analysed using optical microscopy and Fourier transform infrared spectroscopy (FTIR). It was found that the crystals produced at different cooling rates were needle-like and exhibit polymorphic form type I. However, the aspect ratio and crystal size distributions were varied with the increased of cooling rate. A high crystals aspect ratio and narrower CSD (100-900 μm) was obtained at cooling rate of 0.5 °C/min. Thus, can be suggested as the most suitable cooling rate for crystallization of mefenamic acid in ethyl acetate.

Magnetophotonic crystals

Energy Technology Data Exchange (ETDEWEB)

Inoue, M [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Fujikawa, R [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Baryshev, A [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Khanikaev, A [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Lim, P B [CREST, Japan Science and Technology Agency, Saitama 332-0012, Japan (Japan); Uchida, H [Toyohashi University of Technology, Toyohashi, Aichi 441-8580 (Japan); Aktsipetrov, O [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation); Fedyanin, A [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation); Murzina, T [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation); Granovsky, A [Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992 (Russian Federation)

2006-04-21

When the constitutive materials of photonic crystals (PCs) are magnetic, or even only a defect introduced in PCs is magnetic, the resultant PCs exhibit very unique optical and magneto-optical properties. The strong photon confinement in the vicinity of magnetic defects results in large enhancement in linear and nonlinear magneto-optical responses of the media. Novel functions, such as band Faraday effect, magnetic super-prism effect and non-reciprocal or magnetically controllable photonic band structure, are predicted to occur theoretically. All the unique features of the media arise from the existence of magnetization in media, and hence they are called magnetophotonic crystals providing the spin-dependent nature in PCs. (topical review)

Magnetophotonic crystals

International Nuclear Information System (INIS)

Inoue, M; Fujikawa, R; Baryshev, A; Khanikaev, A; Lim, P B; Uchida, H; Aktsipetrov, O; Fedyanin, A; Murzina, T; Granovsky, A

2006-01-01

When the constitutive materials of photonic crystals (PCs) are magnetic, or even only a defect introduced in PCs is magnetic, the resultant PCs exhibit very unique optical and magneto-optical properties. The strong photon confinement in the vicinity of magnetic defects results in large enhancement in linear and nonlinear magneto-optical responses of the media. Novel functions, such as band Faraday effect, magnetic super-prism effect and non-reciprocal or magnetically controllable photonic band structure, are predicted to occur theoretically. All the unique features of the media arise from the existence of magnetization in media, and hence they are called magnetophotonic crystals providing the spin-dependent nature in PCs. (topical review)

Crystals in light.

Science.gov (United States)

Kahr, Bart; Freudenthal, John; Gunn, Erica

2010-05-18

We have made images of crystals illuminated with polarized light for almost two decades. Early on, we abandoned photosensitive chemicals in favor of digital electrophotometry with all of the attendant advantages of quantitative intensity data. Accurate intensities are a boon because they can be used to analytically discriminate small effects in the presence of larger ones. The change in the form of our data followed camera technology that transformed picture taking the world over. Ironically, exposures in early photographs were presumed to correlate simply with light intensity, raising the hope that photography would replace sensorial interpretation with mechanical objectivity and supplant the art of visual photometry. This was only true in part. Quantitative imaging accurate enough to render the separation of crystalloptical quantities had to await the invention of the solid-state camera. Many pioneers in crystal optics were also major figures in the early history of photography. We draw out the union of optical crystallography and photography because the tree that connects the inventors of photography is a structure unmatched for organizing our work during the past 20 years, not to mention that silver halide crystallites used in chemical photography are among the most consequential "crystals in light", underscoring our title. We emphasize crystals that have acquired optical properties such as linear birefringence, linear dichroism, circular birefringence, and circular dichroism, during growth from solution. Other crystalloptical effects were discovered that are unique to curiously dissymmetric crystals containing embedded oscillators. In the aggregate, dyed crystals constitute a generalization of single crystal matrix isolation. Simple crystals provided kinetic stability to include guests such as proteins or molecules in excited states. Molecular lifetimes were extended for the preparation of laser gain media and for the study of the photodynamics of single

Effect of amino acid doping on the growth and ferroelectric properties of triglycine sulphate single crystals

International Nuclear Information System (INIS)

Raghavan, C.M.; Sankar, R.; Mohan Kumar, R.; Jayavel, R.

2008-01-01

Effect of amino acids (L-leucine and isoleucine) doping on the growth aspects and ferroelectric properties of triglycine sulphate crystals has been studied. Pure and doped crystals were grown from aqueous solution by low temperature solution growth technique. The cell parameter values were found to significantly vary for doped crystals. Fourier transform infrared analysis confirmed the presence of functional groups in the grown crystal. Morphology study reveals that amino acid doping induces faster growth rate along b-direction leading to a wide b-plane and hence suitable for pyroelectric detector applications. Ferroelectric domain structure has been studied by atomic force microscopy and hysteresis measurements reveal an increase of coercive field due to the formation of single domain pattern

An effect of re-extraction crystallization parameters on physical and chemical properties of AUC

International Nuclear Information System (INIS)

Yahi, Boussad

1990-07-01

This study is concerned with direct cristallization of ammonium uranyl carbonate (AUC) from a uranium loaded organic phase (30% TBP in kerosene), with ammonium carbonate (NH4)2 CO3. The effects of operating conditions (NH4)2 CO3 concentration, flowration residence time, temperature on the physical properties of AUC crystals (particle size distribution, specific area, density..) are reported. All products were identified (both by chemical analysis, X-Ray diffraction) as being ammonium uranyl ratio and (NH4)2 CO3 concentration favor the formation of fine AUC grains and aggregates. This is due mainly to the high concentration of (NH4)+ in the system which leads to a high solution supersaturation and consequently to a rapid formation rate of crystal (germination). The reverse phenomenon is observed at low phase ratio and (NH4)2 CO3 concentration, where germination and crystal growth ara slow and the product is mainly monocrystal. In the intermediate range, a mixture of polycrystal and aggregates is obtained. Residence time and temperature are also shown to have an effect on the processes (the effect of time being more important than temperature)

Effect of the Ultrasonic Substrate Vibration on Nucleation and Crystallization of PbI2 Crystals and Thin Films

Directory of Open Access Journals (Sweden)

Fatemeh Zabihi

2018-01-01

Full Text Available Preparation of defect-free and well-controlled solution-processed crystalline thin films is highly desirable for emerging technologies, such as perovskite solar cells. In this work, using PbI2 as a model solution with a vast variety of applications, we demonstrate that the excitation of a liquid thin film by imposed ultrasonic vibration on the film substrate significantly affects the nucleation and crystallization kinetics of PbI2 and the morphology of the resulting solid thin film. It is found that by applying ultrasonic vibration to PbI2 solution spun onto an ITO substrate with a moderate power and excitation duration (5 W and 1 min for the 40 kHz transducer used in this study, the nucleation rate increases and the crystals transform from 2D or planar to epitaxial 3D columnar structures, resulting in the suppression of crystallization dewetting. The effects of various induced physical phenomena as a result of the excitation by ultrasonic vibration are discussed, including microstreaming and micromixing, increased heat transfer and local temperature, a change in the thermodynamic state of the solution, and a decrease in the supersaturation point. It is shown that the ultrasonic-assisted solution deposition of the PbI2 thin films is controllable and reproducible, a process which is low-cost and in line with the large-scale fabrication of such solution-processed thin films.

Optically Anomalous Crystals

CERN Document Server

Shtukenberg, Alexander; Kahr, Bart

2007-01-01

Optical anomalies in crystals are puzzles that collectively constituted the greatest unsolved problems in crystallography in the 19th Century. The most common anomaly is a discrepancy between a crystal’s symmetry as determined by its shape or by X-ray analysis, and that determined by monitoring the polarization state of traversing light. These discrepancies were perceived as a great impediment to the development of the sciences of crystals on the basis of Curie’s Symmetry Principle, the grand organizing idea in the physical sciences to emerge in the latter half of the 19th Century. Optically Anomalous Crystals begins with an historical introduction covering the contributions of Brewster, Biot, Mallard, Brauns, Tamman, and many other distinguished crystallographers. From this follows a tutorial in crystal optics. Further chapters discuss the two main mechanisms of optical dissymmetry: 1. the piezo-optic effect, and 2. the kinetic ordering of atoms. The text then tackles complex, inhomogeneous crystals, and...

Organic semiconductor crystals.

Science.gov (United States)

Wang, Chengliang; Dong, Huanli; Jiang, Lang; Hu, Wenping

2018-01-22

Organic semiconductors have attracted a lot of attention since the discovery of highly doped conductive polymers, due to the potential application in field-effect transistors (OFETs), light-emitting diodes (OLEDs) and photovoltaic cells (OPVs). Single crystals of organic semiconductors are particularly intriguing because they are free of grain boundaries and have long-range periodic order as well as minimal traps and defects. Hence, organic semiconductor crystals provide a powerful tool for revealing the intrinsic properties, examining the structure-property relationships, demonstrating the important factors for high performance devices and uncovering fundamental physics in organic semiconductors. This review provides a comprehensive overview of the molecular packing, morphology and charge transport features of organic semiconductor crystals, the control of crystallization for achieving high quality crystals and the device physics in the three main applications. We hope that this comprehensive summary can give a clear picture of the state-of-art status and guide future work in this area.

Effects of water-absorption and thermal drift on a polymeric photonic crystal slab sensor

DEFF Research Database (Denmark)

Sørensen, Kristian Tølbøl; Ingvorsen, Charlotte Bonde; Nielsen, Line Hagner

2018-01-01

of resonant reflection during absorption, by monitoring the release of water using ellipsometry, and by rigorous coupled-wave analysis (RCWA). The approach presented here enables monitoring of water uptake and thermal fluctuations, for drift-free, high-performance operation of a polymeric PCS sensor....... with additional challenges, besides those relating to temperature-variations, which must be considered in any refractive index based method: The polymeric waveguide core was found to swell by ?0.3% as water absorbed into the waveguide core over ?1.5 h. This was investigated by monitoring the wavelength...

Photorefractive Axicon: Study of Light-induced Effect by Bessel Beam in Photorefractive Crystal

International Nuclear Information System (INIS)

Vieira, T A; Gesualdi, M R R; Zamboni-Rached, M; Muramatsu, M

2011-01-01

In this work, we present the theoretical and computational study of the original analysis of the light-induced effects by Bessel beams in photorefractive crystals. Modern applications of these beams as: metrological, alignment of optical systems, optical tweezers, non linear optics, optical communication, and others, becoming a very interesting substitute for a Gaussian beam when this is subject to diffraction and dispersion effects to large distance propagation. On the other hand, the photorefractive crystals are very important materials for applications in non-linear optics, holographic storage, interferometry and optical information processing. We perform an analysis of the index refraction modulation generated by Bessel beam in photorefractive medium discussing the possibility this optical material to control and generation of Bessel beam properties.

Temperature effect on phase states of quartz nano-crystals in silicon single crystal

International Nuclear Information System (INIS)

Kalanov, M.U.; Ibragimova, E.M.; Khamraeva, R.N.; Rustamova, V.M.; Ummatov, Kh.D.

2006-01-01

Full text: Oxygen penetrates into the silicon lattice up to the concentration of 2·10 18 cm -3 in the course of growing [1]. By the author's opinion at a low oxygen content the formation of solid solution is possible in the local defect places of the silicon single crystal lattice due to the difference in effective ion radius of oxygen and silicon (r O 0.176 and r Si = 0.065 nm). Upon reaching some critical content (∼ 10 17 cm -3 ), it becomes favorable energetically for oxygen ions to form precipitates (SiO x ) and finally a dielectric layer (stoichiometric inclusions of SiO 2 ). It was shown later that depending on the growth conditions, indeed the quartz crystal inclusions are formed in the silicon single crystals at an amount of 0.3 /0.5 wt. % [2]. However the authors did not study a phase state of the quartz inclusions. Therefore the aim of this work was to study a phase state of the quartz inclusions in silicon crystal at various temperatures. We examined the silicon single crystals grown by Czochralski technique, which were cut in (111) plane in the form of disk of 20 mm diameter and 1.5 thickness and had hole conductivity with the specific resistance ρ o ≅ 1/10 Ohm cm. The dislocation density was N D ≅ 10 1 /10 3 cm -2 , the concentrations of oxygen and boron were N 0 ≅ 2/ 4·10 17 cm -3 and N B ≅ 3*10 15 cm -3 . Structure was analyzed at the set-up DRON-UM1 with high temperature supply UVD-2000 ( CuK = 0.1542 nm) at the temperatures of 300, 1173 and 1573 K measured with platinum-platinum-rhodium thermocouple. The high temperature diffraction spectrum measured at 1573 K in the angle range (2Θ≅10/70 d egree ) there is only one main structure reflection (111) with a high intensity and d/n ≅ 0.3136 nm (2 Θ≅ 28.5 d egree ) from the matrix lattice of silicon single crystal. The weak line at 2 Θ≅ 25.5 d egree ( d/n≅0.3136 nm) is β component of the main reflection (111), and the weak structure peak at 2Θ≅59 d egree ( d/n≅ 0.1568 nm

Refinement of the crystal structures of biomimetic weddellites produced by microscopic fungus Aspergillus niger

Science.gov (United States)

Rusakov, A. V.; Frank-Kamenetskaya, O. V.; Gurzhiy, V. V.; Zelenskaya, M. S.; Izatulina, A. R.; Sazanova, K. V.

2014-05-01

The single-crystal structures of four biomimetic weddellites CaC2O4 · (2 + x)H2O with different contents of zeolitic water ( x = 0.10-0.24 formula units) produced by the microscopic fungus Aspergillus niger were refined from X-ray diffraction data ( R = 0.029-0.038). The effect of zeolitic water content on the structural stability of weddellite was analyzed. The parameter a was shown to increase with increasing x due to the increase in the distance between water molecules along this direction. The water content and structural parameters of the synthesized weddellites are similar to those of weddellites from biofilms and kidney stones.

Investigations of interhydrogen bond dynamical coupling effects in the polarized IR spectra of acetanilide crystals.

Science.gov (United States)

Flakus, Henryk T; Michta, Anna

2010-02-04

This Article presents the investigation results of the polarized IR spectra of the hydrogen bond in acetanilide (ACN) crystals measured in the frequency range of the proton and deuteron stretching vibration bands, nu(N-H) and nu(N-D). The basic spectral properties of the crystals were interpreted quantitatively in terms of the "strong-coupling" theory. The model of the centrosymmetric dimer of hydrogen bonds postulated by us facilitated the explanation of the well-developed, two-branch structure of the nu(N-H) and nu(N-D) bands as well as the isotopic dilution effects in the spectra. On the basis of the linear dichroic and temperature effects in the polarized IR spectra of ACN crystals, the H/D isotopic "self-organization" effects were revealed. A nonrandom distribution of hydrogen isotope atoms (H or D) in the lattice was deduced from the spectra of isotopically diluted ACN crystals. It was also determined that identical hydrogen isotope atoms occupy both hydrogen bonds in the dimeric systems, where each hydrogen bond belongs to a different chain. A more complex fine structure pattern of nu(N-H) and nu(N-D) bands in ACN spectra in comparison with the spectra of other secondary amides (e.g., N-methylacetamide) can be explained in terms of the "relaxation" theory of the IR spectra of hydrogen-bonded systems.

High-resolution crystal structure of Streptococcus pyogenes β-NAD{sup +} glycohydrolase in complex with its endogenous inhibitor IFS reveals a highly water-rich interface

Energy Technology Data Exchange (ETDEWEB)

Yoon, Ji Young; An, Doo Ri; Yoon, Hye-Jin [Seoul National University, Seoul 151-747 (Korea, Republic of); Kim, Hyoun Sook [Seoul National University, Seoul 151-747 (Korea, Republic of); Seoul National University, Seoul 151-742 (Korea, Republic of); Lee, Sang Jae [Seoul National University, Seoul 151-742 (Korea, Republic of); Im, Ha Na; Jang, Jun Young [Seoul National University, Seoul 151-747 (Korea, Republic of); Suh, Se Won, E-mail: sewonsuh@snu.ac.kr [Seoul National University, Seoul 151-747 (Korea, Republic of); Seoul National University, Seoul 151-747 (Korea, Republic of)

2013-11-01

The crystal structure of the complex between the C-terminal domain of Streptococcus pyogenes β-NAD{sup +} glycohydrolase and an endogenous inhibitor for SPN was determined at 1.70 Å. It reveals that the interface between the two proteins is highly rich in water molecules. One of the virulence factors produced by Streptococcus pyogenes is β-NAD{sup +} glycohydrolase (SPN). S. pyogenes injects SPN into the cytosol of an infected host cell using the cytolysin-mediated translocation pathway. As SPN is toxic to bacterial cells themselves, S. pyogenes possesses the ifs gene that encodes an endogenous inhibitor for SPN (IFS). IFS is localized intracellularly and forms a complex with SPN. This intracellular complex must be dissociated during export through the cell envelope. To provide a structural basis for understanding the interactions between SPN and IFS, the complex was overexpressed between the mature SPN (residues 38–451) and the full-length IFS (residues 1–161), but it could not be crystallized. Therefore, limited proteolysis was used to isolate a crystallizable SPN{sub ct}–IFS complex, which consists of the SPN C-terminal domain (SPN{sub ct}; residues 193–451) and the full-length IFS. Its crystal structure has been determined by single anomalous diffraction and the model refined at 1.70 Å resolution. Interestingly, our high-resolution structure of the complex reveals that the interface between SPN{sub ct} and IFS is highly rich in water molecules and many of the interactions are water-mediated. The wet interface may facilitate the dissociation of the complex for translocation across the cell envelope.

Spin-to-orbital momentum conversion via electro-optic Pockels effect in crystals

Energy Technology Data Exchange (ETDEWEB)

Skab, Ihor; Vasylkiv, Yurij; Smaga, Ihor; Vlokh, Rostyslav [Institute of Physical Optics, 23 Dragomanov Street, 79005 Lviv (Ukraine)

2011-10-15

In the present work we have demonstrated a possibility for operation by orbital angular momentum (OAM) of optical beams via the Pockels effect in solid-crystalline materials. Based on the analysis of an optical Fresnel ellipsoid perturbed by a conically shaped electric field, we have shown that the point groups of crystals convenient for the conversion of spin angular momentum (SAM) to OAM should contain a threefold symmetry axis or a sixfold inversion axis. The results of our experimental studies and theoretical simulations of the SAM-to-OAM conversion efficiency carried out for LiNbO{sub 3} crystals agree well with each other.

Pulse carving using nanocavity-enhanced nonlinear effects in photonic crystal Fano structures

DEFF Research Database (Denmark)

Bekele, Dagmawi Alemayehu; Yu, Yi; Hu, Hao

2018-01-01

We experimentally demonstrate the use of a photonic crystal Fano resonance for carving-out short pulses from long-duration input pulses. This is achieved by exploiting an asymmetric Fano resonance combined with carrier-induced nonlinear effects in a photonic crystal membrane structure. The use...... of a nanocavity concentrates the input field to a very small volume leading to an efficient nonlinear resonance shift that carves a short pulse out of the input pulse. Here, we demonstrate shortening of ∼500  ps and ∼100  ps long pulses to ∼30  ps and ∼20  ps pulses, respectively. Furthermore, we demonstrate...

Effect of silica and water content on the glass transition of poly(ethylene glycol) monomethylether-silica gel-lithium perchlorate ormolytes

International Nuclear Information System (INIS)

Korwin, Rebecca S.; Masui, Hitoshi

2005-01-01

The effect of silica and water content on the glass transition temperature, T g , of MPEG2000-silica-LiClO 4 ormolytes was assessed by differential scanning calorimetry (DSC). The sol-gel synthesized ormolytes consisted of various amounts of poly(ethylene glycol) monomethylether (M.W. 2000 g/mol; i.e., MPEG2000) tethered to silica gel through the hydroxyl terminus via a urethane linkage. DSC features corresponding to physisorbed and hydrogen-bonded water, as well as the glass transition of the polyether, were identified. Both silica and LiClO 4 raise the T g and suppress crystallization of the polyether component. Water plasticizes the polyether and stoichiometrically solvates and sequesters Li + , thereby, lowering T g

Increase on the initial soluble heme levels in acidic conditions is an important mechanism for spontaneous heme crystallization in vitro.

Directory of Open Access Journals (Sweden)

Renata Stiebler

Full Text Available BACKGROUND: Hemozoin (Hz is a heme crystal that represents a vital pathway for heme disposal in several blood-feeding organisms. Recent evidence demonstrated that β-hematin (βH (the synthetic counterpart of Hz formation occurs under physiological conditions near synthetic or biological hydrophilic-hydrophobic interfaces. This seems to require a heme dimer acting as a precursor of Hz crystals that would be formed spontaneously in the absence of the competing water molecules bound to the heme iron. Here, we aimed to investigate the role of medium polarity on spontaneous βH formation in vitro. METHODOLOGY/PRINCIPAL FINDINGS: We assessed the effect of water content on spontaneous βH formation by using the aprotic solvent dimethylsulfoxide (DMSO and a series of polyethyleneglycols (PEGs. We observed that both DMSO and PEGs (3.350, 6.000, 8.000, and 22.000 increased the levels of soluble heme under acidic conditions. These compounds were able to stimulate the production of βH crystals in the absence of any biological sample. Interestingly, the effects of DMSO and PEGs on βH formation were positively correlated with their capacity to promote previous heme solubilization in acidic conditions. Curiously, a short chain polyethyleneglycol (PEG 300 caused a significant reduction in both soluble heme levels and βH formation. Finally, both heme solubilization and βH formation strongly correlated with reduced medium water activity provided by increased DMSO concentrations. CONCLUSIONS: The data presented here support the notion that reduction of the water activity is an important mechanism to support spontaneous heme crystallization, which depends on the previous increase of soluble heme levels.

Effects of β-sheet crystals and a glycine-rich matrix on the thermal conductivity of spider dragline silk.

Science.gov (United States)

Park, Jinju; Kim, Duckjong; Lee, Seung-Mo; Choi, Ji-Ung; You, Myungil; So, Hye-Mi; Han, Junkyu; Nah, Junghyo; Seol, Jae Hun

2017-03-01

We measured the thermal conductivity of Araneus ventricosus' spider dragline silk using a suspended microdevice. The thermal conductivity of the silk fiber was approximately 0.4Wm -1 K -1 at room temperature and gradually increased with an increasing temperature in a manner similar to that of other disordered crystals or proteins. In order to elucidate the effect of β-sheet crystals in the silk, thermal denaturation was used to reduce the quantity of the β-sheet crystals. A calculation with an effective medium approximation supported this measurement result showing that the thermal conductivity of β-sheet crystals had an insignificant effect on the thermal conductivity of SDS. Additionally, the enhancement of bonding strength in a glycine-rich matrix by atomic layer deposition did not increase the thermal conductivity. Thus, this study suggests that the disordered part of the glycine-rich matrix prevented the peptide chains from being coaxially extended via the cross-linking covalent bonds. Copyright © 2016 Elsevier B.V. All rights reserved.

Effects of storage time and temperature on pH, specific gravity, and crystal formation in urine samples from dogs and cats.

Science.gov (United States)

Albasan, Hasan; Lulich, Jody P; Osborne, Carl A; Lekcharoensuk, Chalermpol; Ulrich, Lisa K; Carpenter, Kathleen A

2003-01-15

To determine effects of storage temperature and time on pH and specific gravity of and number and size of crystals in urine samples from dogs and cats. Randomized complete block design. 31 dogs and 8 cats. Aliquots of each urine sample were analyzed within 60 minutes of collection or after storage at room or refrigeration temperatures (20 vs 6 degrees C [68 vs 43 degrees F]) for 6 or 24 hours. Crystals formed in samples from 11 of 39 (28%) animals. Calcium oxalate (CaOx) crystals formed in vitro in samples from 1 cat and 8 dogs. Magnesium ammonium phosphate (MAP) crystals formed in vitro in samples from 2 dogs. Compared with aliquots stored at room temperature, refrigeration increased the number and size of crystals that formed in vitro; however, the increase in number and size of MAP crystals in stored urine samples was not significant. Increased storage time and decreased storage temperature were associated with a significant increase in number of CaOx crystals formed. Greater numbers of crystals formed in urine aliquots stored for 24 hours than in aliquots stored for 6 hours. Storage time and temperature did not have a significant effect on pH or specific gravity. Urine samples should be analyzed within 60 minutes of collection to minimize temperature- and time-dependent effects on in vitro crystal formation. Presence of crystals observed in stored samples should be validated by reevaluation of fresh urine.

Isotopic effects on phonon anharmonicity in layered van der Waals crystals: Isotopically pure hexagonal boron nitride

Science.gov (United States)

Cuscó, Ramon; Artús, Luis; Edgar, James H.; Liu, Song; Cassabois, Guillaume; Gil, Bernard

2018-04-01

Hexagonal boron nitride (h -BN) is a layered crystal that is attracting a great deal of attention as a promising material for nanophotonic applications. The strong optical anisotropy of this crystal is key to exploit polaritonic modes for manipulating light-matter interactions in 2D materials. h -BN has also great potential for solid-state neutron detection and neutron imaging devices, given the exceptionally high thermal neutron capture cross section of the boron-10 isotope. A good knowledge of phonons in layered crystals is essential for harnessing long-lived phonon-polariton modes for nanophotonic applications and may prove valuable for developing solid-state 10BN neutron detectors with improved device architectures and higher detection efficiencies. Although phonons in graphene and isoelectronic materials with a similar hexagonal layer structure have been studied, the effect of isotopic substitution on the phonons of such lamellar compounds has not been addressed yet. Here we present a Raman scattering study of the in-plane high-energy Raman active mode on isotopically enriched single-crystal h -BN. Phonon frequency and lifetime are measured in the 80-600-K temperature range for 10B-enriched, 11B-enriched, and natural composition high quality crystals. Their temperature dependence is explained in the light of perturbation theory calculations of the phonon self-energy. The effects of crystal anisotropy, isotopic disorder, and anharmonic phonon-decay channels are investigated in detail. The isotopic-induced changes in the phonon density of states are shown to enhance three-phonon anharmonic decay channels in 10B-enriched crystals, opening the possibility of isotope tuning of the anharmonic phonon decay processes.

Hydrogen bonding intermolecular effect on electro-optical response of doped 6PCH nematic liquid crystal with some azo dyes

Science.gov (United States)

Kiani, S.; Zakerhamidi, M. S.; Tajalli, H.

2016-05-01

Previous studies on the electro-optical responses of dye-doped liquid crystal have shown that dopant material have a considerable effect on their electro-optical responses. Despite the studies carried out on electro-optical properties of dye-doped liquid crystal, no attention has been paid to study of the interaction and structural effects in this procedure. In this paper, linear dyes and with similar structure were selected as dopants. The only difference in used dyes is the functional groups in their tails. So, doping of these dyes into liquid crystals determines the influence of interaction type on electro-optical behaviours of the doped systems. Therefore, in this work, two aminoazobenzene (;A-dye;: hydrogen bond donor) and dimethyl-aminoazobenzene (;B-dye;) dyes with different compositional percentages in liquid crystal host were used. Electro-optical Kerr behaviour, the pre-transition temperature and third order nonlinear susceptibility were investigated. The obtained results effectively revealed that type of interactions between the dye and liquid crystal is determinative of behavioral difference of doped system, compared to pure liquid crystal. Also, pre-transitional behaviour and thereupon Kerr electro-optical responses were affected by formed interactions into doped systems. In other words, it will be shown that addition of any dopants in liquid crystal, regardless of the nature of interactions, cannot cause appropriate electro-optical responses. In fact, type of dye, nature of interactions between dopant and liquid crystalline host as well as concentration of dye are the key factors in selecting the appropriate liquid crystal and dopant dye.

Crystal structure of 2-methyl-1H-imidazol-3-ium hydrogen oxalate dihydrate