WorldWideScience

Sample records for chemical properties crystal

  1. Physical and chemical properties of a Ga-doped ZnO crystal

    Energy Technology Data Exchange (ETDEWEB)

    Stashans, Arvids; Olivos, Katia; Rivera, Richard, E-mail: arvids@utpl.edu.e [Grupo de FisicoquImica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)

    2011-06-01

    First-principles calculations based on density functional theory and strengthened by Hartree-Fock computations have been performed to study a Ga-doped wurtzite-type ZnO crystal. The large 108-atom supercell used throughout this work allows one to model a single point defect within the periodic supercell model. Thus, the Ga impurity produced purely local effects on the properties of the material. The electronic band structure was obtained for both pure and impurity-doped materials. The occurrence of free electrons in the conduction band was observed after the incorporation of Ga, implying the Ga dopant's contribution to n-type electrical conductivity in the ZnO crystal, in agreement with known experimental data. An analysis of the charges on atoms and obtained atomic displacements in the region surrounding the defect showed that there is some alteration in the chemical bonding because of the presence of Ga atoms. In particular, the ionic bonding is strengthened in the defect's neighbourhood.

  2. Investigation of gamma radiation effect on chemical properties and surface morphology of some nonlinear optical (NLO) single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ahlam, M.A., E-mail: omaymn771@yahoo.com [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, Karnataka (India); Ravishankar, M.N. [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, Karnataka (India); Vijayan, N. [Materials Characterization Division, National Physical Laboratory, New Delhi 110 012 (India); Govindaraj, G. [Department of Physics, Pondicherry University, Pondicherry 605 014 (India); Siddaramaiah [Department of Polymer and Technology, Sri Jayachamarajendra College of Engineering, Mysore 570 006 (India); Gnana Prakash, A.P., E-mail: gnanaprakash@physics.uni-mysore.ac.in [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, Karnataka (India)

    2012-05-01

    The effect of Co-60 gamma irradiation on L-alanine cadmium chloride (LACC), L-alanine doped potassium dihydrogen orthophosphate (KDP) and L-arginine doped KDP nonlinear optical (NLO) single crystals were studied in doses ranging from 100 krad to 6 Mrad. The crystals were grown by slow evaporation method at room temperature. The effects of gamma irradiation on the chemical, surface morphology, DC electrical conductivity, thermal and mechanical properties of the grown crystals have been studied. The functional groups of unirradiated and irradiated crystals have been identified and confirmed by Fourier transform infrared (FTIR) studies. Scanning electron microscopy (SEM) of irradiated crystals shows some morphological changes in the crystals. The dc conductivity of LACC and L-alanine doped KDP crystals were found to increase with increase in radiation dose whereas in case of L-arginine doped KDP crystals, the dc conductivity was found to decrease with increase in radiation dose. Differential scanning calorimetry (DSC) thermograms reveals that there is no significant change in the melting point of the crystals after irradiation and the crystals does not decompose as a result of irradiation. The mechanical behavior of both unirradiated and irradiated crystals is explained with the indentation effects using Vicker's microhardness tester. The Vicker's hardness number H{sub V} and Mayer's index 'n' has been estimated and confirms that LACC belong to the hard materials.

  3. Investigation of gamma radiation effect on chemical properties and surface morphology of some nonlinear optical (NLO) single crystals

    Science.gov (United States)

    Ahlam, M. A.; Ravishankar, M. N.; Vijayan, N.; Govindaraj, G.; Siddaramaiah; Gnana Prakash, A. P.

    2012-05-01

    The effect of Co-60 gamma irradiation on L-alanine cadmium chloride (LACC), L-alanine doped potassium dihydrogen orthophosphate (KDP) and L-arginine doped KDP nonlinear optical (NLO) single crystals were studied in doses ranging from 100 krad to 6 Mrad. The crystals were grown by slow evaporation method at room temperature. The effects of gamma irradiation on the chemical, surface morphology, DC electrical conductivity, thermal and mechanical properties of the grown crystals have been studied. The functional groups of unirradiated and irradiated crystals have been identified and confirmed by Fourier transform infrared (FTIR) studies. Scanning electron microscopy (SEM) of irradiated crystals shows some morphological changes in the crystals. The dc conductivity of LACC and L-alanine doped KDP crystals were found to increase with increase in radiation dose whereas in case of L-arginine doped KDP crystals, the dc conductivity was found to decrease with increase in radiation dose. Differential scanning calorimetry (DSC) thermograms reveals that there is no significant change in the melting point of the crystals after irradiation and the crystals does not decompose as a result of irradiation. The mechanical behavior of both unirradiated and irradiated crystals is explained with the indentation effects using Vicker's microhardness tester. The Vicker's hardness number HV and Mayer's index 'n' has been estimated and confirms that LACC belong to the hard materials.

  4. CHEMICAL PROPERTIES.

    African Journals Online (AJOL)

    However, the amount of soil organic matter and total nitrogen content was. T DIFFERENT HOURS ... burning such as improvement in soil physical ... chemical properties. The aim is to find .... Humid Tropics with particular reference to. Nigeria.

  5. Structural and crystal chemical properties of rare-earth titanate pyrochlores

    Energy Technology Data Exchange (ETDEWEB)

    Farmer, James Matthew [ORNL; Boatner, Lynn A [ORNL; Chakoumakos, Bryan C [ORNL; Du, Mao-Hua [ORNL; Lance, Michael J [ORNL; Rawn, Claudia J. [Oak Ridge National Laboratory (ORNL); Bryan, Jeff C. [University of Wisconsin

    2014-01-01

    Rare-earth titanates, RE2Ti2O7 (where RE = a rare-earth) with the pyrochlore structure continue to be investigated for use as potential stable host materials for nuclear and actinide-rich wastes. Accordingly, the present work is directed towards the elucidation of the fundamental structural, physical, and thermochemical properties of this class of compounds. Single-crystals of the rare earth pyrochlores were synthesized using a high-temperature flux technique and were subsequently characterized using single-crystal X-ray diffraction. The cubic lattice parameters display an approximately linear correlation with the RE-site cation radius. Theoretical calculations of the lattice constants and bond lengths of the subject materials were carried out using density functional theory, and the results are compared to the experimental values. The Sm and Eu titanates exhibit a covalency increase between the REO8 and TiO6 polyhedra resulting in a deviation from the increasing linear lattice parameter through the transition series. Gd2Ti2O7 with the 4f7 half-filled f-orbital Gd3+ sub-shell exhibits the lowest 48f oxygen positional parameter. The coefficient of thermal expansion for the rare-earth titanate series is approximately linear, and it has a range of 10.1 11.2 x 10-6 C-1. Raman spectroscopy indicated that the ~530 cm-1 peak associated with the Ti-O stretching mode follows a general trend of decreasing frequency with increasing RE reduced mass.

  6. Optical and electrical properties of ZrSe3 single crystals grown by chemical vapour transport technique

    Indian Academy of Sciences (India)

    Kaushik Patel; Jagdish Prajapati; Rajiv Vaidya; S G Patel

    2005-08-01

    Single crystals of the lamellar compound, ZrSe3, were grown by chemical vapour transport technique using iodine as a transporting agent. The grown crystals were characterized with the help of energy dispersive analysis by X-ray (EDAX), which gave confirmation about the stoichiometry. The optical band gap measurement of as grown crystals was carried out with the help of optical absorption spectra in the range 700–1450 nm. The indirect as well as direct band gap of ZrSe3 were found to be 1.1 eV and 1.47 eV, respectively. The resistivity of the as grown crystals was measured using van der Pauw method. The Hall parameters of the grown crystals were determined at room temperature from Hall effect measurements. Electrical resistivity measurements were performed on this crystal in the temperature range 303–423 K. The crystals were found to exhibit semiconducting nature in this range. The activation energy and anisotropy measurements were carried out for this crystal. Pressure dependence of electrical resistance was studied using Bridgman opposed anvils set up up to 8 GPa. The semiconducting nature of ZrSe3 single crystal was inferred from the graph of resistance vs pressure. The results obtained are discussed in detail.

  7. Crystallization-induced properties from morphology-controlled organic crystals.

    Science.gov (United States)

    Park, Chibeom; Park, Ji Eun; Choi, Hee Cheul

    2014-08-19

    During the past two decades, many materials chemists have focused on the development of organic molecules that can serve as the basis of cost-effective and flexible electronic, optical, and energy conversion devices. Among the potential candidate molecules, metal-free or metal-containing conjugated organic molecules offer high-order electronic conjugation levels that can directly support fast charge carrier transport, rapid optoelectric responses, and reliable exciton manipulation. Early studies of these molecules focused on the design and synthesis of organic unit molecules that exhibit active electrical and optical properties when produced in the form of thin film devices. Since then, researchers have worked to enhance the properties upon crystallization of the unit molecules as single crystals provide higher carrier mobilities and exciton recombination yields. Most recently, researchers have conducted in-depth studies to understand how crystallization induces property changes, especially those that depend on specific crystal surfaces. The different properties that depend on the crystal facets have been of particular interest. Most unit molecules have anisotropic structures, and therefore produce crystals with several unique crystal facets with dissimilar molecular arrangements. These structural differences would also lead to diverse electrical conductance, optical absorption/emission, and even chemical interaction properties depending on the crystal facet investigated. To study the effects of crystallization and crystal facet-dependent property changes, researchers must grow or synthesize crystals of highly conjugated molecules that have both a variety of morphologies and high crystallinity. Morphologically well-defined organic crystals, that form structures such as wires, rods, disks, and cubes, provide objects that researchers can use to evaluate these material properties. Such structures typically occur as single crystals with well-developed facets with

  8. Imprinted photonic crystal chemical sensors

    NARCIS (Netherlands)

    Boersma, A.; Burghoorn, M.M.A.; Saalmink, M.

    2011-01-01

    In this paper we present the use of Photonic Crystals as chemical sensors. These 2D nanostructured sensors were prepared by nano-imprint lithography during which a nanostructure is transferred from a nickel template into a responsive polymer, that is be specifically tuned to interact with the chemic

  9. Crystal-chemical features and properties of layered bismuth vanadate-titanate

    Energy Technology Data Exchange (ETDEWEB)

    Osipyan, V.G.; Kostanyan, K.A.; Savchenko, L.M.

    1986-04-01

    It has been established that Bi/sub 13/V/sub 5/TiO/sub 34/ belongs to the ferroelectric family of bismuth-containing compounds with a layered compound. The formula unit Bi/sub 2/1//sub 6/ + V/sub 5///sub 6/ Ti1//sub 6/ O/sub 5/2/3 corresponds to a layered structure of (Bi/sub 2/O/sub 2/) (Bi/sub 1///sub 6/ V/sub 5///sub 6/ Ti/sub 1///sub 6/ O/sub 3/2/3)/sup 2 -/ with one perovskite-like layer between ions of bismuthyl (Bi/sub 2/O/sub 2/)/sup 2 +/. The dielectric properties indicate that Bi/sub 13/V/sub 5/TiO/sub 34/ has ferroelectric properties. The solid-phase process of formation of the compound from a mixture of the initial oxides takes place in one stage in the temperature range 600-800 C.

  10. Relationships among chemical composition, lattice constants, and acoustic properties for Ca3Ta(Ga1-xAlx)3Si2O14 single crystals

    Science.gov (United States)

    Ohashi, Yuji; Kitahara, Masanori; Kudo, Tetsuo; Arakawa, Mototaka; Yokota, Yuui; Shoji, Yasuhiro; Yamaji, Akihiro; Kurosawa, Shunsuke; Kamada, Kei; Yoshikawa, Akira

    2017-06-01

    The relationship among lattice constant a, Al content, and acoustic properties were experimentally examined using a plate specimen perpendicular to Y-axis prepared from Ca3Ta(Ga0.75Al0.25)3Si2O14 [CTGAS(0.25)] single crystal grown by Czochralski method. As the acoustic properties, leaky surface acoustic wave (LSAW) velocities with different propagation directions, X- and Z-propagations, and longitudinal wave velocity propagating along Y-axis direction were measured by the line-focus-beam/plane-wave ultrasonic-material-characterization (LFB/PW-UMC) system. The measured results of LSAW velocity distributions revealed inhomogeneity in radial direction of the crystal ingot exhibiting lower velocity area at the center of the ingot. In addition, the distributions of lattice constant a and chemical composition (especially Al content) were measured along the radial direction. Abnormal changes suggesting existence of residual stresses concentrated on the central part of the crystal ingot other than the effect of chemical composition change were detected from the relationships among the measured parameters.

  11. Optical properties of nanowire structures produced by the metal-assisted chemical etching of lightly doped silicon crystal wafers

    Energy Technology Data Exchange (ETDEWEB)

    Gonchar, K. A., E-mail: k.a.gonchar@gmail.com; Osminkina, L. A. [Moscow State University, Faculty of Physics (Russian Federation); Sivakov, V. [Leibniz Institute of Photonic Technology (Germany); Lysenko, V. [Institut National des Sciences Appliquées (INSA) de Lyon, Nanotechnology Institute of Lyon (France); Timoshenko, V. Yu. [Moscow State University, Faculty of Physics (Russian Federation)

    2014-12-15

    Layers of Si nanowires produced by the metal-assisted chemical etching of (100)-oriented single-crystal p-Si wafers with a resistivity of 1–20 Ω · cm are studied by reflectance spectroscopy, Raman spectros-copy, and photoluminescence measurements. The nanowire diameters are 20–200 nm. The wafers are supplied by three manufacturing companies and distinguished by their different lifetimes of photoexcited charge carriers. It is established that the Raman intensity for nanowires longer than 1 μm is 3–5 times higher than that for the substrates. The interband photoluminescence intensity of nanowires at the wavelength 1.12 μm is substantially higher than that of the substrates and reaches a maximum for samples with the longest bulk lifetime, suggesting a low nonradiative recombination rate at the nanowire surfaces.

  12. Surface properties of HMX crystal

    Science.gov (United States)

    Yee, R. Y.; Adicoff, A.; Dibble, E. J.

    1980-01-01

    The surface properties of Beta-HMX crystals were studied. The surface energies of three principal crystal faces were obtained by measuring contact angles with several reference liquids. The surface energies and polarity of the three crystal faces are found to be different.

  13. Structural and crystal chemical properties of rare-earth double phosphates and rare-earth titanate pyrochlores

    Science.gov (United States)

    Farmer, J. Matt

    Alkali rare-earth double phosphates have been studied for use as long-wavelength scintillators for gamma-ray detection using Si photodiodes. These compounds exhibit layered crystal structures, built from roughly hexagonal atomic layers in the sequence lanthanide, phosphate-alkali, alkali, alkali-phosphate. Details of the crystal symmetry depend on the relative sizes of the rare-earth and alkali metal ions. Single-crystal X-ray diffraction (SXRD) has been used to study these structures at room temperature for K3RE(PO4) 2 (where RE = Lu-Ce, Y, and Sc). The compound K3Lu(PO 4)2 crystallizes with a hexagonal unit cell, space group P-3. The Lu ion is six-coordinated to the oxygen atoms of the phosphate groups. Two lower-temperature phases of K3Lu(PO4) 2 were observed and characterized. The lower-temperature transition results in an increase in coordination of the Lu ion to seven fold. This new structure is isostructural with the room-temperature form of K3Yb(PO 4)2. High-temperature powder neutron diffraction and high-temperature powder XRD have revealed a large thermal expansion anisotropy for K3Lu(PO4)2. The K3RE(PO 4)2 formation enthalpies were determined using high-temperature oxide-melt solution calorimetry. The formation enthalpy from oxides becomes more exothermic with increasing rare-earth radius. Rare-earth titanates, RE2Ti2O7 (where RE = a rare-earth), with the pyrochlore structure are currently being studied for use as potential nuclear, actinide-rich waste forms. Single-crystals were synthesized using a high-temperature flux technique and characterized using single-crystal X-ray diffraction. The cubic lattice parameters display an approximately linear correlation with the RE-site cation radius. The Sm and Eu titanates exhibit a covalency increase between the REO8 and TiO6 polyhedra resulting in a deviation from the increasing linear lattice parameter through the series. Gd2Ti2O7 exhibits the lowest 48f oxygen positional parameter, an effect that can be

  14. Chemically Stable Lipids for Membrane Protein Crystallization

    Energy Technology Data Exchange (ETDEWEB)

    Ishchenko, Andrii; Peng, Lingling; Zinovev, Egor; Vlasov, Alexey; Lee, Sung Chang; Kuklin, Alexander; Mishin, Alexey; Borshchevskiy, Valentin; Zhang, Qinghai; Cherezov, Vadim (MIPT); (USC); (Scripps)

    2017-05-01

    The lipidic cubic phase (LCP) has been widely recognized as a promising membrane-mimicking matrix for biophysical studies of membrane proteins and their crystallization in a lipidic environment. Application of this material to a wide variety of membrane proteins, however, is hindered due to a limited number of available host lipids, mostly monoacylglycerols (MAGs). Here, we designed, synthesized, and characterized a series of chemically stable lipids resistant to hydrolysis, with properties complementary to the widely used MAGs. In order to assess their potential to serve as host lipids for crystallization, we characterized the phase properties and lattice parameters of mesophases made of two most promising lipids at a variety of different conditions by polarized light microscopy and small-angle X-ray scattering. Both lipids showed remarkable chemical stability and an extended LCP region in the phase diagram covering a wide range of temperatures down to 4 °C. One of these lipids has been used for crystallization and structure determination of a prototypical membrane protein bacteriorhodopsin at 4 and 20 °C.

  15. Optical Properties of Photonic Crystals

    CERN Document Server

    Sakoda, Kazuaki

    2005-01-01

    This is the first comprehensive textbook on the optical properties of photonic crystals. It deals not only with the properties of the radiation modes inside the crystals but also with their peculiar optical response to external fields. A general theory of linear and nonlinear optical response is developed in a clear and detailed fashion using the Green's function method. The symmetry of the eigenmodes is treated systematically using group theory to show how it affects the optical properties of photonic crystals. Important recent developments such as the enhancement of stimulated emission, second harmonic generation, quadrature-phase squeezing, and low-threshold lasing are also treated in detail and made understandable. Numerical methods are also emphasized. Thus this book provides both an introduction for graduate and undergraduate students and also key information for researchers in this field. This second edition has been updated and includes a new chapter on superfluorescence.

  16. Crystal-chemical and physicochemical properties of complex cadmium oxides with pyrochlore and columbite type of structure

    Energy Technology Data Exchange (ETDEWEB)

    Samigullina, R.F., E-mail: rina@ihim.uran.ru [Russian Academy of Sciences, Ural Branch, Institute of Solid State Chemistry, Ekaterinburg 620990 (Russian Federation); Krasnenko, T.I.; Rotermel, M.V.; Tyutyunnik, A.P. [Russian Academy of Sciences, Ural Branch, Institute of Solid State Chemistry, Ekaterinburg 620990 (Russian Federation); Titova, S.G.; Fedorova, O.M. [Russian Academy of Sciences, Ural Branch, Institute of Metallurgy, Ekaterinburg 620016 (Russian Federation)

    2015-11-15

    Single-phase samples of cadmium pyroniobate and metaniobate were successfully prepared by solid-state synthesis. The crystal structures of cadmium niobates were refined by full-profile fitting of X-ray powder diffraction patterns. The thermal behavior of cadmium niobates in air was studied by thermogravimetric (TG), differential thermal analysis (DTA) and X-ray powder diffraction at elevated temperatures. Found that CdNb{sub 2}O{sub 6} is stable in air up to 1150 °C, Cd{sub 2}Nb{sub 2}O{sub 7} – up to 1120 °C. Above these temperatures these niobates undergoes a solid state decay with volatilization of cadmium oxide, resulting in formation of metaniobate CdNb{sub 2}O{sub 6} from Cd{sub 2}Nb{sub 2}O{sub 7}, and niobium oxide Nb{sub 2}O{sub 5} from CdNb{sub 2}O{sub 6}. - Highlights: • The crystal structures of cadmium niobates were refined. • Linear thermal expansion coefficients of cadmium niobates Cd{sub 2}Nb{sub 2}O{sub 7} and CdNb{sub 2}O{sub 6} were determined. • The limits of thermal stability of both oxides in the air were found.

  17. Statistical analysis of crystallization database links protein physico-chemical features with crystallization mechanisms.

    Directory of Open Access Journals (Sweden)

    Diana Fusco

    Full Text Available X-ray crystallography is the predominant method for obtaining atomic-scale information about biological macromolecules. Despite the success of the technique, obtaining well diffracting crystals still critically limits going from protein to structure. In practice, the crystallization process proceeds through knowledge-informed empiricism. Better physico-chemical understanding remains elusive because of the large number of variables involved, hence little guidance is available to systematically identify solution conditions that promote crystallization. To help determine relationships between macromolecular properties and their crystallization propensity, we have trained statistical models on samples for 182 proteins supplied by the Northeast Structural Genomics consortium. Gaussian processes, which capture trends beyond the reach of linear statistical models, distinguish between two main physico-chemical mechanisms driving crystallization. One is characterized by low levels of side chain entropy and has been extensively reported in the literature. The other identifies specific electrostatic interactions not previously described in the crystallization context. Because evidence for two distinct mechanisms can be gleaned both from crystal contacts and from solution conditions leading to successful crystallization, the model offers future avenues for optimizing crystallization screens based on partial structural information. The availability of crystallization data coupled with structural outcomes analyzed through state-of-the-art statistical models may thus guide macromolecular crystallization toward a more rational basis.

  18. A Sr2+-metal-organic framework with high chemical stability: synthesis, crystal structure and photoluminescence property.

    Science.gov (United States)

    Jia, Yan-Yuan; Liu, Xiao-Ting; Wang, Wen-He; Zhang, Li-Zhu; Zhang, Ying-Hui; Bu, Xian-He

    2017-01-13

    Metal-organic frameworks (MOFs) are typically built by assembly of metal centres and organic linkers, and have emerged as promising crystalline materials in a variety of fields. However, the stability of MOFs is a key limitation for their practical applications. Herein, we report a novel Sr 2+: -MOF [Sr4(Tdada)2(H2O)3(DMF)2] (denoted as NKU- 105: , NKU = Nankai University; H4Tdada = 5,5'-((thiophene-2,5-dicar bonyl)bis(azanediyl))diisophthalic acid; DMF = N,N-dimethylformamide) featuring an open square channel of about 6 Å along the c-axis. Notably, NKU- 105: exhibits much outstanding chemical stability against common organic solvents, boiling water, acids and bases, relative to most MOF materials. Furthermore, NKU- 105: is an environment-friendly luminescent material with a bright cyan emission.This article is part of the themed issue 'Coordination polymers and metal-organic frameworks: materials by design'.

  19. Chemical properties of mendelevium

    Energy Technology Data Exchange (ETDEWEB)

    Hulet, E.K.

    1980-11-01

    Even with the most intense ion beams and the largest available quantities of target isotope, about 10/sup 6/ atoms at a time is all the Md that can be produced for chemical studies. This lack of sufficient sample size coupled with the very short lifetimes of the few atoms produced has severely restricted the gathering and the broadness of our knowledge concerning the properties of Md and the heavier elements. To illustrate, the literature contains a mere eleven references to the chemical studies of Md, and none of these deal with bulk properties associated with the element bound in solid phases. Some of these findings are: Md was found to be more volatile than other actinide metals which lead to the belief that it is divalent in the metallic state; separation of Md from the other actinides can be accomplished either by reduction of Md/sup 3 +/ to the divalent state or by chromatographic separations with Md remaining in the tripositive state; extraction of Md/sup 2 +/ with bis(2-ethylhexyl)phosphoric acid is much poorer than the extraction of the neighboring tripositive actinides; attempts to oxidize Md/sup 3 +/ with sodium bismuthate failed to show any evidence for Md/sup 4 +/; reduction potential of Md/sup 3 +/ was found to be close to -0.1 volt; Md/sup 3 +/ can be reduced to Md(Hg) by sodium amalgams and by electrolysis; the electrochemical behavior of Md is very similar to that of Fm and can be summarized in the equation, Md/sup 2 +/ + 2e/sup -/ = Md(Hg) and E/sup 0/ = -1.50 V.; and Md cannot be reduced to a monovalent ion with Sm/sup 2 +/.

  20. Chemical Potential of Vacancies in Metal Crystals

    Institute of Scientific and Technical Information of China (English)

    SUN Jun; W.R.Tyson

    2000-01-01

    In this paper, a concept, the chemical potential of vacancies in metal crystals, has been derived from the partial mole free energy of vacancies based on a model of an atom-vacancy binary solution.For a pure metal crystal containing the mole concentration of vacancies, Cv and it's value in thermal equilibrium,C0, at temperature T the chemical potential can be expressed respectively as: μ v(Cv)=RT[1+1n(C√Co)]and μ v (Co)=RT The second term in μ v(Cv) is the chemical potential of the vacancies referred to the standardstate concentration given by J. P. Hirth [1] and first term is the standard-state one presented in this paper.

  1. Chemical synthesis, crystal structure, vibrational spectroscopy, non-linear optical properties and DFT calculation of bis (2,6-diaminopyridinium) sulfate monohydrate

    Science.gov (United States)

    Ben Hassen, Chaouki; Dammak, Thameur; Chniba-Boudjada, Nassira; Mhiri, Tahar; Boujelbene, Mohamed

    2017-01-01

    Single crystals of a new organic inorganic hybrid compound "bis (2,6-diaminopyridinium) sulfate monohydrate [C5H8N3]2SO4·H2O ([2,6-HDAP]2SO4·H2O)" was synthesized by slow evaporation method at room temperature and characterized by X-ray single crystal diffraction, infrared spectroscopy and DFT calculation. The new hybrid compound crystallizes in the orthorhombic system with the non-centro symmetric space group Pna21 and the following parameters a = 14.759(2) Å, b = 7.076 (2) Å and c = 28.159 (2) Å. The atomic arrangement can be described as inorganic chains following the b axis connected with the organic groups by means of Nsbnd H⋯O hydrogen bonds to form 3D network. Antiparallelly π-π stacked 2,6-HDAP cations form molecular columns in the spaces between the chains. The optimized molecular structure, vibrational spectra and the optical properties were calculated by the density functional theory (DFT) method using the B3LYP function with the LanL2DV basis set. The wavenumber calculated are in good agreement with the observed frequency values. The calculated hyperpolarizability βtot is about 4.5 times more than that of the reference crystal KDP. Hence, the large β value shows that the title compound is an attractive object for future studies of nonlinear optical properties.

  2. Colloidal properties of biomacromolecular solutions: Towards urate oxidase crystal design

    Science.gov (United States)

    Bonneté, Françoise

    2013-02-01

    Crystallization of biological macromolecules is governed by weak interaction forces, attractive and repulsive. Knowledge of solution properties, via second virial coefficient measurements, makes it possible to select physico-chemical parameters that govern and control phase diagrams and thus to grow crystals for specific applications (bio-crystallography or pharmaceutical processes). We highlight here with urate oxidase a salting-in effect that increases its solubility and the depletion effect of amphiphilic polymer, at a polymer concentration above its cmc, in order to grow diffracting crystals of urate oxidase. These two effects were used to grow crystals for high pressure crystallography and in a purification process.

  3. Growth of ZnO Single Crystal by Chemical Vapor Transport Method

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    ZnO crystals were grown by CVT method in closed quartz tube under seeded condition. Carbon was used as a transport agent to enhance the chemical transport of ZnO in the growth process. ZnO single crystals were grown by using GaN/sapphire and GaN/Si wafer as seeds. The property and crystal quality of the ZnO single crystals was studied by photoluminescence spectroscopy and X-ray diffraction technique.

  4. Crystallization: A phase transition process driving by chemical potential decrease

    Science.gov (United States)

    Sun, Congting; Xue, Dongfeng

    2017-07-01

    A chemical bonding model is established to describe the chemical potential decrease during crystallization. In the nucleation stage, in situ molecular vibration spectroscopy shows the increased vibration energy of constituent groups, indicating the shortened chemical bonding and the decreased chemical potential towards the formation of nuclei. Starting from the Gibbs free energy formula, the chemical potential decrease during crystallization is scaled, which depends on the released chemical bonding energy per unit phase transition zone. In the crystal growth, the direction-dependent growth rate of inorganic single crystals can be quantitatively determined, their anisotropic thermodynamic morphology can thus be constructed on the basis of relative growth rates.

  5. Atomic resolution crystal structures, EXAFS, and quantum chemical studies of rusticyanin and its two mutants provide insight into its unusual properties.

    Science.gov (United States)

    Barrett, Mark L; Harvey, Ian; Sundararajan, Mahesh; Surendran, Rajeev; Hall, John F; Ellis, Mark J; Hough, Michael A; Strange, Richard W; Hillier, Ian H; Hasnain, S Samar

    2006-03-07

    Rusticyanin from the extremophile Thiobacillus ferrooxidans is a blue copper protein with unusually high redox potential and acid stability. We present the crystal structures of native rusticyanin and of its Cu site mutant His143Met at 1.27 and 1.10 A, respectively. The very high resolution of these structures allows a direct comparison with EXAFS data and with quantum chemical models of the oxidized and reduced forms of the proteins, based upon both isolated and embedded clusters and density functional theory (DFT) methods. We further predict the structure of the Cu(II) form of the His143Met mutant which has been experimentally inaccessible due to its very high redox potential. We also present metrical EXAFS data and quantum chemical calculations for the oxidized and reduced states of the Met148Gln mutant, this protein having the lowest redox potential of all currently characterized mutants of rusticyanin. These data offer new insights into the structural factors which affect the redox potential in this important class of proteins. Calculations successfully predict the structure and the order of redox potentials for the three proteins. The calculated redox potential of H143M ( approximately 400 mV greater than native rusticyanin) is consistent with the failure of readily available chemical oxidants to restore a Cu(II) species of this mutant. The structural and energetic effects of mutating the equatorial cysteine to serine, yet to be studied experimentally, are predicted to be considerable by our calculations.

  6. Dispersion properties of photonic crystal fibres

    DEFF Research Database (Denmark)

    Bjarklev, Anders Overgaard; Broeng, Jes; Dridi, Kim;

    1998-01-01

    Approximate dispersion and bending properties of all-silica two-dimensional photonic crystal fibres are characterised by the combination of an effective-index model and classical analysis tools for optical fibres. We believe for the first time to have predicted the dispersion properties of photonic...... crystal fibres. The results strongly indicate that these fibres have potential applications as dispersion managing components...

  7. Crystal engineering of energetic materials: co-crystals of Ethylenedinitramine (EDNA) with modified performance and improved chemical stability.

    Science.gov (United States)

    Aakeröy, Christer B; Wijethunga, Tharanga K; Desper, John

    2015-07-27

    In the area of energetic materials, co-crystallization is emerging as a new technology for modifying or enhancing the properties of existing energetic substances. Ethylenedinitramine (EDNA) is a known energetic material which requires attention partly due to its chemical instability originating with its two highly acidic protons. In order to stabilize EDNA, a co-crystallization approach targeting the acidic protons using a series of co-crystallizing agents with suitable hydrogen-bond acceptors was employed. Fifteen attempted co-crystallizations resulted in eight successful outcomes and six of these were crystallographically characterized and all showed evidence of hydrogen bonds to the intended protons. Calculated detonation properties and experimental thermal and impact data for the co-crystals were obtained and compared with those of pure EDNA. The co-crystal of EDNA and 1,2-bis(4-pyridyl)ethylene was recognized as a more thermally stable alternative to EDNA while the co-crystal of EDNA and pyrazine N,N'-dioxide showed comparable detonation strengths (and much improved chemical stability) compared with that of EDNA. The co-crystals EDNA:4,4'-bipyridine and EDNA:pyrazine N,N'-dioxide were found to be about 50 % less impact sensitive than EDNA, all of which illustrate how co-crystallizations can be utilized for successfully modifying specific aspects of energetic materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Chemical Bond Calculations of Crystal Growth of KDP and ADP

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A novel method was proposed to calculate the crystal morphology (or growth habit) on the basis of chemical bond analysis. All constituent chemical bonds were distinguished as relevant and independent bonds according to their variations during the crystallization process. By employing the current method, the influence of specific growth conditions on the crystal morphology can be considered in the structure analysis process. The ideal morphologies of both KDP (KH2PO4) and ADP (NH4H2PO4) crystals were calculated and compared with our obtained crystallites at room temperature, which validates the present calculation method very well.

  9. Luminescent properties of diamond single crystals of pyramidal shape

    Science.gov (United States)

    Alekseev, A. M.; Tuyakova, F. T.; Obraztsova, E. A.; Korostylev, E. V.; Klinov, D. V.; Prusakov, K. A.; Malykhin, S. A.; Ismagilov, R. R.; Obraztsov, A. N.

    2016-11-01

    The luminescence properties of needle-like crystals of diamond, obtained by selective oxidation of textured polycrystalline diamond films, are studied. Diamond films were grown by chemical vapor deposition from a methane-hydrogen mixture activated by a DC discharge. The spectra of photo- and cathodoluminescence and the spatial distribution of the intensity of radiation at different wavelengths are obtained for individual needle-like crystals. Based on the spectral characteristics, conclusions are made about the presence of optically active defects containing nitrogen and silicon impurities in their structure, as well as the significant effect of structural defects on their luminescence spectra.

  10. Dynamic molecular crystals with switchable physical properties.

    Science.gov (United States)

    Sato, Osamu

    2016-06-21

    The development of molecular materials whose physical properties can be controlled by external stimuli - such as light, electric field, temperature, and pressure - has recently attracted much attention owing to their potential applications in molecular devices. There are a number of ways to alter the physical properties of crystalline materials. These include the modulation of the spin and redox states of the crystal's components, or the incorporation within the crystalline lattice of tunable molecules that exhibit stimuli-induced changes in their molecular structure. A switching behaviour can also be induced by changing the molecular orientation of the crystal's components, even in cases where the overall molecular structure is not affected. Controlling intermolecular interactions within a molecular material is also an effective tool to modulate its physical properties. This Review discusses recent advances in the development of such stimuli-responsive, switchable crystalline compounds - referred to here as dynamic molecular crystals - and suggests how different approaches can serve to prepare functional materials.

  11. Structure and Properties of Liquid Crystals

    CERN Document Server

    Blinov, Lev M

    2011-01-01

    This book by Lev M. Blinov is ideal to guide researchers from their very first encounter with liquid crystals to the level where they can perform independent experiments on liquid crystals with a thorough understanding of their behaviour also in relation to the theoretical framework. Liquid crystals can be found everywhere around us. They are used in virtually every display device, whether it is for domestic appliances of for specialized technological instruments. Their finely tunable optical properties make them suitable also for thermo-sensing and laser technologies. There are many monographs written by prominent scholars on the subject of liquid crystals. The majority of them presents the subject in great depth, sometimes focusing on a particular research aspect, and in general they require a significant level of prior knowledge. In contrast, this books aims at an audience of advanced undergraduate and graduate students in physics, chemistry and materials science. The book consists of three parts: the firs...

  12. Structural, Microhardness, Photoconductivity, and Dielectric Properties of Tris(thiourea Cadmium Sulphate Single Crystals

    Directory of Open Access Journals (Sweden)

    A. P. Arthi

    2014-01-01

    Full Text Available Semiorganic nonlinear optical tris(thiourea cadmium sulphate (TTCS single crystals were grown by slow evaporation method. The crystal system, cell parameter of the grown crystal, was identified by powder X-ray diffraction study. The self-focusing Z-scan technique has been employed to observe the third-order nonlinear optical property of the grown crystal. The mechanical property of the grown crystal was examined by using Vicker’s microhardness test. Chemical etching studies were made on the TTCS crystal using water as an etchant. The dark current and photocurrent properties of the crystal were estimated by using photoconductivity study. The dielectric constant of grown crystal was studied in different temperature by varying applied frequencies.

  13. Symmetry and physical properties of crystals

    CERN Document Server

    Malgrange, Cécile; Schlenker, Michel

    2014-01-01

    Crystals are everywhere, from natural crystals (minerals) through the semiconductors and magnetic materials in electronic devices and computers or piezoelectric resonators at the heart of our quartz watches to electro-optical devices. Understanding them in depth is essential both for pure research and for their applications. This book provides a clear, thorough presentation of their symmetry, both at the microscopic space-group level and the macroscopic point-group level. The implications of the symmetry of crystals for their physical properties are then presented, together with their mathematical description in terms of tensors. The conditions on the symmetry of a crystal for a given property to exist then become clear, as does the symmetry of the property. The geometrical representation of tensor quantities or properties is presented, and its use in determining important relationships emphasized. An original feature of this book is that most chapters include exercises with complete solutions. This all...

  14. Photonic crystal laser sources for chemical detection

    OpenAIRE

    Lončar, Marko; Scherer, Axel; Qiu, Yueming

    2003-01-01

    We have realized photonic crystal lasers that permit the introduction of analyte within the peak of the optical field of the lasing mode. We have explored the design compromises for developing such sensitive low-threshold spectroscopy sources, and demonstrate the operation of photonic crystal lasers in different ambient organic solutions. We show that nanocavity lasers can be used to perform spectroscopic tests on femtoliter volumes of analyte, and propose to use these lasers for high-resolut...

  15. Optical properties of photonic crystals

    CERN Document Server

    Sakoda, Kazuaki

    2001-01-01

    The interaction between the radiation field and matter is the most fundamen­ tal source of dynamics in nature. It brings about the absorption and emission of photons, elastic and inelastic light scattering, the radiative lifetime of elec­ tronic excited states, and so on. The huge amount of energy carried from the sun by photons is the source of all activities of creatures on the earth. The absorption of photons by chlorophylls and the successive electronic excita­ tion initiate a series of chemical reactions that are known as photosynthesis, which support all life on the earth. Radiative energy is also the main source of all meteorological phenomena. The fundamentals of the radiation field and its interaction with matter were clarified by classical electromagnetism and quantum electrodynamics. These theories, we believe, explain all electromagnetic phenomena. They not only provide a firm basis for contemporary physics but also generate a vast range of technological applications. These include television, ...

  16. Analysis of liquid crystal properties for photonic crystal fiber devices

    DEFF Research Database (Denmark)

    Weirich, Johannes; Lægsgaard, Jesper; Wei, Lei

    2009-01-01

    We analyze the bandgap structure of Liquid Crystal infiltrated Photonic Crystal Fibers depending on the parameters of the Liquid Crystals by means of finite element simulations. For a biased Liquid Crystal Photonic Crystal Fiber, we show how the tunability of the bandgap position depends...... on the Liquid Crystal parameters....

  17. Electrocaloric properties of potassium tantalate niobate crystals

    Science.gov (United States)

    Maiwa, Hiroshi

    2016-10-01

    The electrocaloric properties of potassium tantalate niobate (KTN) crystals were investigated by indirect estimation and direct measurement of temperature-electric field (T-E) hysteresis loops. The measured T-E loops showed a similar shape to strain-electric field (s-E) loops. The adiabatic temperature change ΔT due to the electrocaloric effect was estimated from the polarization change of this sample to be 0.49 K under a field of 20 kV/cm. The measured temperature change ΔT in these samples upon the release of the electric field from 20 kV/cm to zero was 0.42 K. The temperature dependences of the electromechanical and electrocaloric properties were measured. The maximum performance appeared at approximately the phase transition temperature of KTN crystal and the properties were relatively moderate-temperature-dependent.

  18. Advances in chemical physics advances in liquid crystals

    CERN Document Server

    Prigogine, Ilya; Vij, Jagdish K

    2009-01-01

    Prigogine and Rice's highly acclaimed series, Advances in Chemical Physics, provides a forum for critical, authoritative reviews of current topics in every area of chemical physics. Edited by J.K. Vij, this volume focuses on recent advances in liquid crystals with significant, up-to-date chapters authored by internationally recognized researchers in the field.

  19. Analysis of liquid crystal properties for photonic crystal fiber devices

    DEFF Research Database (Denmark)

    Weirich, Johannes; Lægsgaard, Jesper; Wei, Lei;

    2009-01-01

    We analyze the bandgap structure of Liquid Crystal infiltrated Photonic Crystal Fibers depending on the parameters of the Liquid Crystals by means of finite element simulations. For a biased Liquid Crystal Photonic Crystal Fiber, we show how the tunability of the bandgap position depends on the L...

  20. Structure sensitive properties of KTP-type crystals

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Adding various dopants during the growth of the parent KTiOPO4 (KTP) crystal has given rise to an extensive series of KTP-type crystals. The doped KTP or KTP-type crystals often have very subtle structural variations from pure KTP crystals. As a result of these structural changes the KTP-type crystals often exhibit different physical properties, which may be referred to as structure sensitive properties. It is possible to fine-tune the nonlinear optical properties of KTP crystals through doping. This results in a broad range of applications for KTP-type crystals.

  1. Strontium titanate - An index to the literature on properties and the growth of single crystals

    Science.gov (United States)

    Nassau, K.; Miller, A. E.

    1988-08-01

    This paper presents a list of references to the most important information concerning properties and the growth conditions of single-crystal SrTiO3. References to a wide variety of crystal growth techniques are presented, with special consideration given to those for the Verneuil technique. References to the properties of strontium titanate are grouped into five categories: (1) structural, thermal, and mechanical properties; (2) electric and magnetic properties; (3) optical and related properties; (4) phase diagrams, mixed systems, and chemical properties; and (5) the dopants used and their properties. Some of the more useful numerical constants are also included.

  2. Shattuckite and plancheite: A crystal chemical study

    Science.gov (United States)

    Evans, Howard T.; Mrose, Mary E.

    1966-01-01

    The orthorhombic crystal structures of shattuckite, Cu5( SiO3)4(OH)2 and planchétite, Cu8(Si4011)2(OH)4 H2O, have been solved. Shattuckite contains silicate chains similar to pyroxene in a complex association with copper atoms, while the closely related planchéite contains silicate chains similar to amphibole.

  3. Anharmonic properties of potassium halide crystals

    OpenAIRE

    RAJU, Krishna Murti

    2011-01-01

    An effort has been made to obtain the anharmonic properties of potassium halides starting from primary physical parameters viz. nearest neighbor distance and hardness parameters assuming long- and short- range potentials at elevated temperatures. The elastic energy density for a deformed crystal can be expanded as power series of strains for obtaining coefficients of quadratic, cubic and quartic terms which are known as the second, third and fourth order elastic constants respectively...

  4. Accessing and using chemical property databases.

    Science.gov (United States)

    Hastings, Janna; Josephs, Zara; Steinbeck, Christoph

    2012-01-01

    Chemical compounds participate in all the processes of life. Understanding the complex interactions of small molecules such as metabolites and drugs and the biological macromolecules that consume and produce them is key to gaining a wider understanding in a systemic context. Chemical property databases collect information on the biological effects and physicochemical properties of chemical entities. Accessing and using such databases is key to understanding the chemistry of toxic molecules. In this chapter, we present methods to search, understand, download, and manipulate the wealth of information available in public chemical property databases, with particular focus on the database of Chemical Entities of Biological Interest (ChEBI).

  5. Chemical Bond Analysis of Single Crystal Growth of Magnesium Oxide

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Starting from the crystallographic structure of magnesium oxide (MgO), both the chemical bond model of solids and Pauling's third rule (polyhedral sharing rule) were employed to quantitatively analyze the chemical bonding structure of constituent atoms and single crystal growth. Our analytical results show that MgO single crystals prefer to grow along the direction and the growth rate of the {100} plane is the slowest one. Therefore, the results show that the {100} plane of MgO crystals can be the ultimate morphology face, which is in a good agreement with our previous experimental results. The study indicate that the structure analysis is an effective tool to control the single-crystal growth.

  6. Crystal growth, defects, and mechanical and spectral properties of a novel mixed laser crystal Nd:GdYNbO4

    Science.gov (United States)

    Ding, Shoujun; Liu, Wenpeng; Zhang, Qingli; Peng, Fang; Luo, Jianqiao; Dou, Renqin; Sun, Guihua; Sun, Dunlu

    2017-01-01

    A mixed laser crystal of Nd-doped GYNO crystal was grown successfully by Czochralski method. The crystal belongs to monoclinic system with space group I2/a, the structural parameters are obtained by the X-ray Rietveld refinement method. The defects and dislocations along three crystallographic orientations were studied by using the chemical etching method with the phosphoric acid etchant. The mechanical properties (including hardness, yield strength, fracture toughness, and brittle index) of the crystal were estimated by Vickers hardness test. The transmission spectrum was measured at room temperature, and the absorption peaks were assigned. Spectral properties of the as-grown crystal were investigated by Judd-Ofelt theory, and the Judd-Ofelt intense parameters Ω2,4,6 were obtained to be 9.674 × 10-20, 2.092 × 10-20, and 4.061 × 10-20 cm2, respectively.

  7. Atom interaction propensities of oxygenated chemical functions in crystal packings

    Directory of Open Access Journals (Sweden)

    Christian Jelsch

    2017-03-01

    Full Text Available The crystal contacts of several families of hydrocarbon compounds substituted with one or several types of oxygenated chemical groups were analyzed statistically using the Hirshfeld surface methodology. The propensity of contacts to occur between two chemical types is described with the contact enrichment descriptor. The systematic large enrichment ratios of some interactions like the O—H...O hydrogen bonds suggests that these contacts are a driving force in the crystal packing formation. The same statement holds for the weaker C—H...O hydrogen bonds in ethers, esters and ketones, in the absence of polar H atoms. The over-represented contacts in crystals of oxygenated hydrocarbons are generally of two types: electrostatic attractions (hydrogen bonds and hydrophobic interactions. While Cl...O interactions are generally avoided, in a minority of chloro-oxygenated hydrocarbons, significant halogen bonding does occur. General tendencies can often be derived for many contact types, but outlier compounds are instructive as they display peculiar or rare features. The methodology also allows the detection of outliers which can be structures with errors. For instance, a significant number of hydroxylated molecules displaying over-represented non-favorable oxygen–oxygen contacts turned out to have wrongly oriented hydroxyl groups. Beyond crystal packings with a single molecule in the asymmetric unit, the behavior of water in monohydrate compounds and of crystals with Z′ = 2 (dimers are also investigated. It was found in several cases that, in the presence of several oxygenated chemical groups, cross-interactions between different chemical groups (e.g. water/alcohols; alcohols/phenols are often favored in the crystal packings. While some trends in accordance with common chemical principles are retrieved, some unexpected results can however appear. For example, in crystals of alcohol–phenol compounds, the strong O—H...O hydrogen bonds between

  8. Crystal growth and physical properties of Ferro-pnictides

    Energy Technology Data Exchange (ETDEWEB)

    Aswartham, Saicharan

    2012-11-08

    The thesis work presented here emphasizes important aspects of crystal growth and the influence of chemical substitution in Fe-As superconductors. High temperature solution growth technique is one of most powerful and widely used technique to grow single crystals of various materials. The biggest advantage of high temperature solution growth technique is the, possibility of growing single crystals from both congruently and incongruently melting materials. Solution growth technique has the potential to control high vapour pressures, given the fact that, in Fe-based superconductors elements with high vapour pressure like As, K, Li and Na have to be handled during the crystal growth procedure. In this scenario high temperature solution growth is the best suitable growth technique to synthesize sizable homogeneous single crystals. Using self-flux high temperature solution growth technique, large centimeter-sized high quality single crystals of BaFe{sub 2}As{sub 2} were grown. This pristine compound BaFe{sub 2}As{sub 2} undergoes structural and magnetic transition at T{sub S/N} = 137 K. By suppressing this magnetic transition and stabilizing tetragonal phase with chemical substitution, like Co-doping and Na-doping, bulk superconductivity is achieved. Superconducting transitions of as high as T{sub c} = 34 K with Na substitution and T{sub c} = 25 K with Co-doping were obtained. A combined electronic phase diagram has been achieved for both electron doping with Co and hole doping with Na in BaFe{sub 2}As{sub 2}. Single crystals of LiFe{sub 1-x}Co{sub x}As with x = 0, 0.025, 0.05 and 0.075 were grown by a self-flux high temperature solution growth technique. The charge doping in LiFeAs is achieved with the Co-doping in Fe atoms. The superconducting properties investigated by means of temperature dependent magnetization and resistivity revealed that superconductivity is shifted to lower temperatures and with higher amount of charge carriers superconductivity is killed

  9. Crystal chemical formula for sartorite homologues

    DEFF Research Database (Denmark)

    Makovicky, Emil; Topa, Dan

    2015-01-01

    The members of the sartorite homologous series are complex sulfides Me 2+ 8N–16–2X Me 3+ 16+X Me + XS8N+8where Me 2+ is Pb and Me 3+ is As and Sb, whereas Me + is Ag and/or Tl. This paper presents calculation formulae for the homologue order N and for the separate substitution percentages for Tl ...... + (As,Sb) ↔ 2Pb and Ag + (As,Sb) ↔ 2Pb substitutions. This enables one to evaluate the crystal chemistry and build a systematic classification of the sartorite homologues...

  10. Theoretical Calculations of Refractive Properties for Hg3Te2Cl2 Crystals

    Science.gov (United States)

    Bokotey, O. V.

    2016-05-01

    This paper reviews the optical properties, such as refractive index, optical dielectric constant, and reflection coefficient of the Hg3Te2Cl2 crystals. The applications of the Hg3X2Y2 crystals as electronic, optical, and optoelectronic devices are very much determined by the nature and magnitude of these fundamental material properties. The origin of chemical bonding in the crystals is very important for definition of the physical and chemical properties. The main structural feature of the Hg3X2Y2 crystals is the presence of covalent pyramids [XHg3] and linear X-Hg-X groups. Optical properties are calculated according to the model proposed by Harrison. The refractive index in the spectral region far from the absorption edge is determined within the generalized single-oscillator model. The calculated results are found to be in good agreement with experimental data.

  11. Geometric properties of optimal photonic crystals

    DEFF Research Database (Denmark)

    Sigmund, Ole; Hougaard, Kristian G.

    2008-01-01

    Photonic crystals can be designed to control and confine light. Since the introduction of the concept by Yablonovitch and John two decades ago, there has been a quest for the optimal structure, i.e., the periodic arrangement of dielectric and air that maximizes the photonic band gap. Based...... on numerical optimization studies, we have discovered some surprisingly simple geometric properties of optimal planar band gap structures. We conjecture that optimal structures for gaps between bands n and n+1 correspond to n elliptic rods with centers defined by the generators of an optimal centroidal Voronoi...

  12. Role of the crystallization substrate on the photoluminescence properties of organo-lead mixed halides perovskites

    OpenAIRE

    2014-01-01

    We have fabricated CH3NH3PbI3−xClx perovskite thin films crystallized in situ on substrates of different natures (e.g., porosity, wettability) and investigated their photoluminescence properties. We observe that the crystallization time and thin film structure are strongly influenced by the chemical nature and porosity of the substrate. Moreover, we find that the mesoporous scaffold can tune the emissive properties of the semiconducting compound both in terms of spectral region and dynamics. ...

  13. Improving Student Results in the Crystal Violet Chemical Kinetics Experiment

    Science.gov (United States)

    Kazmierczak, Nathanael; Vander Griend, Douglas A.

    2017-01-01

    Despite widespread use in general chemistry laboratories, the crystal violet chemical kinetics experiment frequently suffers from erroneous student results. Student calculations for the reaction order in hydroxide often contain large asymmetric errors, pointing to the presence of systematic error. Through a combination of "in silico"…

  14. Some Chemical and Electronic Considerations of Solid State Semiconductor Crystals.

    Science.gov (United States)

    Hinitz, Herman J.

    1986-01-01

    Describes the trend toward the use of electronic instrumentation to monitor and measure various parameters in chemical reactions. Stresses that a knowledge of the operational relationships involved in such instruments is essential for students beginning in science. Discusses electrostatic charges, semiconductor crystals, electronic conductors,…

  15. Properties of a New Nonlinear Optical Crystal CdZn2B2O6

    Institute of Scientific and Technical Information of China (English)

    ZHANG Fan; SHEN De-Zhong; SHEN Guang-Qiu; WANG Xiao-Qing

    2008-01-01

    @@ Cadmium dizinc diborate (CdZn2B2O6) single crystals have been grown for the first time. The crystal structure of CdZn2B2O6 is the same as that of the Cd3Zn3B4O12. The x-ray diffraction, infrated and Raman spectra,differential scanning calorimetry analysis and density indicate that the physical and chemical properties of both crystals are very similar. Especially, the nonlinear optical coefficients of CdZn2B2O6 and Cd3ZnaB4O12 crystals are 2.6 and 2.4 times as large as that of KH2PO4 crystal respectively. Chemical etching experiments indicated that these crystals are very stable in neutral solution and not hygroscopic in air at room temperature.

  16. In-plane orientation and composition dependences of crystal structure and electrical properties of {100}-oriented Pb(Zr,Ti)O3 films grown on (100) Si substrates by metal organic chemical vapor deposition

    Science.gov (United States)

    Okamoto, Shoji; Sankara Rama Krishnan, P. S.; Okamoto, Satoshi; Yokoyama, Shintaro; Akiyama, Kensuke; Funakubo, Hiroshi

    2017-10-01

    In-plane orientation-controlled Pb(Zr x ,Ti1‑ x )O3 (PZT) films with a thickness of approximately 2 µm and a Zr/(Zr + Ti) ratio of 0.39–0.65 were grown on (100) Si substrates by pulsed metal–organic chemical vapor deposition (MOCVD). In-plane-oriented epitaxial PZT films and in-plane random fiber-textured PZT films with {100} out-of-plane orientation were grown on (100)c SrRuO3//(100)c LaNiO3//(100) CeO2//(100) YSZ//(100) Si and (100)c SrRuO3/(100)c LaNiO3/(111) Pt/TiO2/SiO2/(100) Si substrates, respectively. The effects of Zr/(Zr + Ti) ratio and in-plane orientation on the crystal structure, dielectric, ferroelectric, and piezoelectric properties of the films were systematically investigated. The X-ray diffraction measurement showed that the epitaxial PZT films had a higher volume fraction of (100) orientation than the fiber-textured PZT films in the tetragonal Zr/(Zr + Ti) ratio region. A large difference was not detected between the epitaxial films and the fiber-textured films for Zr/(Zr + Ti) ratio dependence of the dielectric constant, and remanent polarization. However, in the rhombohedral phase region [Zr/(Zr + Ti) = 0.65], coercive field was found to be 1.5-fold different between the epitaxial and fiber-textured PZT films. The maximum field-induced strains measured at 0–100 kV/cm by scanning atomic force microscopy were obtained at approximately Zr/(Zr + Ti) = 0.50 and were about 0.5 and 0.3% for the epitaxial and fiber-textured PZT films, respectively.

  17. Electronic properties of graphene-single crystal diamond heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Fang; Thuong Nguyen, Thuong; Golsharifi, Mohammad; Amakubo, Suguru; Jackman, Richard B., E-mail: r.jackman@ucl.ac.uk [London Centre for Nanotechnology and Department of Electronic and Electrical Engineering, University College London, 17-19 Gordon Street, London WC1H 0AH (United Kingdom); Loh, K. P. [Department of Chemistry, National University of Singapore, 3 Science Drive, Singapore 117543 (Singapore)

    2013-08-07

    Single crystal diamond has been used as a substrate to support single layer graphene grown by chemical vapor deposition methods. It is possible to chemically functionalise the diamond surface, and in the present case H-, F-, O-, and N-group have been purposefully added prior to graphene deposition. The electronic properties of the resultant heterostructures vary strongly; a p-type layer with good mobility and a band gap of ∼0.7 eV is created when H-terminated diamond layers are used, whilst a layer with more metallic-like character (high carrier density and low carrier mobility) arises when N(O)-terminations are introduced. Since it is relatively easy to pattern these functional groups on the diamond surface, this suggests that this approach may offer an exciting route to 2D device structures on single layer graphene sheets.

  18. Floating Zone Growth and Thermionic Emission Property of Single Crystal CeB6

    Institute of Scientific and Technical Information of China (English)

    BAO Li-Hong; ZHANG Jiu-Xing; ZHOU Shen-Lin; ZHANG Ning; XU Hong

    2011-01-01

    @@ Large-sized and high-quality cerium hexaboride(CeB6) single crystals are successfully grown yb the optical floating zone method.The structure, chemical composition and thermionic emission properties of the crystal are characterized by x-ray diffraction, x-ray fluorescence and emission measurements, respectively.Based on the observation of single crystal diffraction, the relative density of feed rods has a great effect on the quality of the grown crystal.The thermionic emission measurement results show that the emission current density of the single crystal is 47.1 A/cm2 at 1873K with an applied voltage of 1 kV,which is about two times larger than the value for polycrystalline samples.The single crystal possesses excellent emission current stability.Therefore, it is expected that CeBs single crystal is a very promising material for thermionic cathode applications.

  19. Chemical and catalytic properties of elemental carbon

    Energy Technology Data Exchange (ETDEWEB)

    Chang, S.G.; Brodzinsky, R.; Gundel, L.A.; Novakov, T.

    1980-10-01

    Elemental carbon particles resulting from incomplete combustion of fossil fuel are one of the major constituents of airborne particulate matter. These particles are a chemically and catalytically active material and can be an effective carrier for other toxic air pollutants through their adsorptive capability. The chemical, adsorptive, and catalytic behaviors of carbon particles depend very much on their crystalline structure, surface composition, and electronic properties. This paper discusses these properties and examines their relevance to atmospheric chemistry.

  20. Photonic crystal fiber with novel dispersion properties

    Institute of Scientific and Technical Information of China (English)

    Shuqin LOU; Shujie LOU; Tieying GUO; Liwen WANG; Weiguo CHEN; Honglei LI; Shuisheng JIAN

    2009-01-01

    Our recent research on designing microstruc-tured fiber with novel dispersion properties is reported in this paper. Two kinds ofphotonic crystal fibers (PCFs) are introduced first. One is the highly nonlinear PCF with broadband nearly zero flatten dispersion. With introducing the germanium-doped (Ge-doped) core into highly non-linear PCF and optimizing the diameters of the first two inner rings of air holes, a new structure of highly non-linear PCF was designed with the nonlinear coefficient up to 47 W-1·km-1 at the wavelength 1.55 μm and nearly zero flattened dispersion of ±0.5 ps/(km·nm) in telecom-munication window (1460-1625nm). Another is the highly negative PCF with a ring of fluorin-doped (F-doped) rods to form its outer ring core while pure silica rods to form its inner core. The peak dispersion - 1064 ps/(km·nm) in 8 nm full width at half maximum (FWHM) wavelength range and -365ps/(km·nm) in 20nm (FWHM) wavelength range can be reached by adjusting the structure parameters. Then, our recent research on the fabrication of PCFs is reported. Effects of draw parameters such as drawing temperature, feed speed, and furnace temperature on the geometry of the final photonic crystal fiber are investigated.

  1. Growth and characterization of Bi2Se3 crystals by chemical vapor transport

    Directory of Open Access Journals (Sweden)

    W. H. Jiao

    2012-06-01

    Full Text Available Regularly-shaped high-quality Bi2Se3 crystals were grown by a chemical vapor transport using iodine as the transport agent. In addition to exhibiting a characteristic Dirac cone for a topological insulator, the Bi2Se3 crystals show some outstanding properties including additional crystallographic surfaces, large residual resistance ratio (∼10, and high mobility (∼8000 cm2·V−1·s−1. The low-temperature resistivity abnormally increases with applying pressures up to 1.7 GPa, and no superconductivity was observed down to 0.4 K.

  2. Role of crystal orientation on chemical mechanical polishing of single crystal copper

    Science.gov (United States)

    Zhu, Aibin; He, Dayong; Luo, Wencheng; Liu, Yangyang

    2016-11-01

    The material removal mechanism of single crystal copper in chemical mechanical polishing (CMP) has not been intensively investigated. And the role of crystal orientation in CMP of single crystal cooper is not quite clear yet. Quasi-continuum method was adopted in this paper to simulate the process of nano-particles grinding on single crystal copper in CMP process. Three different crystal orientations, i.e. x[100]y[001], x[001]y[110] and x[-211]y[111], were chosen for analysis. The atom displacement diagrams, stress distribution diagrams and load-displacement curves were obtained. After analyzing the deformation mechanism, residual stress of the work piece material and cutting force, results showed that, the crystal orientation of work piece has great influence on the deformation characteristics and surface quality of work piece during polishing. In the A(001)[100] orientation, the residual stress distribution after polishing is deeper, and the stress is larger than that in the B(110)[001] and C(111)[-211] orientations. And the average tangential cutting force in the A(001)[100] orientation is much larger than those in the other two crystal orientation. This research is helpful to revealing the material removal mechanism of CMP process.

  3. Ordering properties of oligomeric columnar discotic liquid crystals

    NARCIS (Netherlands)

    Umesh, C.P.

    2015-01-01

    The synthesis and liquid crystalline ordering properties of oligomeric discotic liquid crystals were investigated. The phase behaviour and surface ordering properties are dependent on among others core type, spacer length and fluorination.    

  4. Effect of crystal habit on the dissolution behaviour of simvastatin crystals and its relationship to crystallization solvent properties.

    Science.gov (United States)

    Bukovec, P; Benkic, P; Smrkolj, M; Vrecer, F

    2016-05-01

    Simvastatin crystals, having same crystal structure but different types of habits and hence different intrinsic dissolution rate, were prepared by recrystallization from solvents selected according to their polarity index. Scanning electron microscopy, laser diffraction, image analysis, X-ray powder diffractometry, Fourier transform infrared spectroscopy and differential scanning calorimetry were used to investigate the physicochemical characteristics of the prepared crystals. The isolated crystals exhibited different crystal habits but possessed the same internal crystal structure. In this study the comparative intrinsic dissolution behaviour of the simvastatin crystals with different types of habits was studied and explained by surface energy and correlated to different solvent systems that were used for crystallization. In our work we diminished the influence of all other physical parameters that could influence the dissolution rate, e.g. particle size, specific surface area and polymorphism in order to focus the study onto the impact of crystal shape itself on the dissolution rate of simvastatin crystals. Rod shaped crystals isolated from more hydrophilic solvent mixture dissolved faster than plate-like crystals obtained from solvent mixture with lower polarity index. We correlated this fact to the different growth rate of the individual faces which resulted in different relative size of the individual crystal faces exposed to the dissolution medium as well as the chemical nature of those faces which in turn influenced the wettability and subsequent dissolution of the active pharmaceutical ingredient.

  5. Curvature properties of the slowness surface of the system of crystal acoustics for cubic crystals

    OpenAIRE

    LIESS, Otto

    2008-01-01

    In this paper we study geometric properties of the slowness surface of the system of crystal acoustics for cubic crystals. In particular we shall study curvature properties of the surface and the behaviour of the surface near singular points. The main result is that in the generic nearly isotropic case there are no planes which are tangent to the surface along entire curves. This is in contrast with what happens for the slowness surface of the system of crystal optics for...

  6. Investigation on Growth and Optical Properties of LVCC Single Crystals

    Directory of Open Access Journals (Sweden)

    N. Sheen Kumar

    2014-11-01

    Full Text Available L-valine cadmium chloride (LVCC single crystals were grown by slow evaporation technique with different concentrations (0.25, 0.5, 0.75 and 1.0 mole of CdCl2. All the grown crystals were subjected to single crystal X-ray diffraction analysis. Solid state parameters were calculated for the grown crystals. The optical properties of the crystals were investigated by UV-Vis. absorption spectroscopy. The results revealed that, the wider bandgap and large transparency in the visible region along with higher polarizability of the grown crystals are highly useful in optoelectronic devices. Also according to our needs, one can tune the optical and electrical properties of LVCC crystals by adjusting the concentration of CdCl2 in LVCC.

  7. Role of crystal orientation on chemical mechanical polishing of single crystal copper

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Aibin, E-mail: abzhu@mail.xjtu.edu.cn; He, Dayong; Luo, Wencheng; Liu, Yangyang

    2016-11-15

    Highlights: • The role of crystal orientation in cooper CMP by quasi-continuum was studied. • The atom displacement diagrams were obtained and analyzed. • The stress distribution diagrams and load-displacement curves were analyzed. • This research is helpful to revealing the material removal mechanism of CMP. - Abstract: The material removal mechanism of single crystal copper in chemical mechanical polishing (CMP) has not been intensively investigated. And the role of crystal orientation in CMP of single crystal cooper is not quite clear yet. Quasi-continuum method was adopted in this paper to simulate the process of nano-particles grinding on single crystal copper in CMP process. Three different crystal orientations, i.e. x[100]y[001], x[001]y[110] and x[–211]y[111], were chosen for analysis. The atom displacement diagrams, stress distribution diagrams and load-displacement curves were obtained. After analyzing the deformation mechanism, residual stress of the work piece material and cutting force, results showed that, the crystal orientation of work piece has great influence on the deformation characteristics and surface quality of work piece during polishing. In the A(001)[100] orientation, the residual stress distribution after polishing is deeper, and the stress is larger than that in the B(110)[001] and C(111)[–211] orientations. And the average tangential cutting force in the A(001)[100] orientation is much larger than those in the other two crystal orientation. This research is helpful to revealing the material removal mechanism of CMP process.

  8. Crystal growth and magnetic property of YFeO3 crystal

    Indian Academy of Sciences (India)

    Anhua Wu; Hui Shen; Jun Xu; Zhanliang Wang; Linwen Jiang; Liqing Luo; Shujuan Yuan; Shixun Cao; Huaijin Zhang

    2012-04-01

    YFeO3 and other rare earth substituted crystals with distorted orthorhombic pervoskite-like structure (space group, ) have attracted much attention due to their remarkable magnetic properties of primary significance for technological applications. In the present work, the floating zone growth of YFeO3 crystals has been systematically investigated and high quality YFeO3 crystal was obtained by optimized process. The magnetic properties of YFeO3 crystal were investigated, and it indicated the high magneto-optical property in YFeO3 crystals with specific orientation due to its anisotropy. YFeO3 crystals display superior performance in the application magneto-optical current sensors and fast latching optical switches.

  9. Investigations of high mobility single crystal chemical vapor deposition diamond for radiotherapy photon beam monitoring

    Science.gov (United States)

    Tromson, D.; Descamps, C.; Tranchant, N.; Bergonzo, P.; Nesladek, M.; Isambert, A.

    2008-03-01

    The intrinsic properties of diamond make this material theoretically very suitable for applications in medical physics. Until now ionization chambers have been fabricated from natural stones and are commercialized by PTW, but their fairly high costs and long delivery times have often limited their use in hospital. The properties of commercialized intrinsic polycrystalline diamond were investigated in the past by many groups. The results were not completely satisfactory due to the nature of the polycrystalline material itself. In contrast, the recent progresses in the growth of high mobility single crystal synthetic diamonds prepared by chemical vapor deposition (CVD) technique offer new alternatives. In the framework of the MAESTRO project (Methods and Advanced Treatments and Simulations for Radio Oncology), the CEA-LIST is studying the potentialities of synthetic diamond for new techniques of irradiation such as intensity modulated radiation therapy. In this paper, we present the growth and characteristics of single crystal diamond prepared at CEA-LIST in the framework of the NoRHDia project (Novel Radiation Hard CVD Diamond Detector for Hadrons Physics), as well as the investigations of high mobility single crystal CVD diamond for radiotherapy photon beam monitoring: dosimetric analysis performed with the single crystal diamond detector in terms of stability and repeatability of the response signal, signal to noise ratio, response speed, linearity of the signal versus the absorbed dose, and dose rate. The measurements performed with photon beams using radiotherapy facilities demonstrate that single crystal CVD diamond is a good alternative for air ionization chambers for beam quality control.

  10. 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.

  11. Scintillation properties of YAG:Yb crystals

    CERN Document Server

    Antonini, P; Carugno, Giovanni; Iannuzzi, D

    2001-01-01

    We report on measurements of the light yield, emission spectrum, and time response of YAG:Yb crystals. The temperature dependence of light yield was investigated. Data show that YAG:Yb crystals are good scintillators, suitable for applications to neutrino detection and spectroscopy.

  12. Crystallization of pyroxene phases and physico-chemical properties of glass-ceramics based on Li{sub 2}O–Cr{sub 2}O{sub 3}–SiO{sub 2} eutectic glass system

    Energy Technology Data Exchange (ETDEWEB)

    Salman, S.M.; Salama, S.N.; Abo-Mosallam, H.A., E-mail: abomosallam@yahoo.com.au

    2015-01-15

    The crystallization characteristics, crystalline phase assemblages and solid solution phases developed due to thermally crystallized glasses based on the Li{sub 2}SiO{sub 3}–Li{sub 2}Si{sub 2}O{sub 5}–LiCrSi{sub 2}O{sub 6} (1028 ± 3 °C) eutectic glass system by replacing some trivalent oxides instead of Cr{sub 2}O{sub 3} were investigated. The microhardness and chemical durability of the glass-ceramics were also determined. Lithium meta and disilicate (Li{sub 2}SiO{sub 3} and Li{sub 2}Si{sub 2}O{sub 5}), lithium gallium silicate (LiGaSiO{sub 4}), and varieties of pyroxene phases, including Cr-pyroxene phase, i.e. lithium-kosmochlor (LiCrSi{sub 2}O{sub 6}), lithium aluminum silicate (LiAlSi{sub 2}O{sub 6}), lithium indium silicate (LiInSi{sub 2}O{sub 6}) and pyroxene solid solution of Li-aegerine type [Li (Fe{sub 0.5}, Cr{sub 0.5}) Si{sub 2}O{sub 6}] were the main crystalline phases formed in the crystallized glasses. There is no evidence for the formation of solid solution or liquid immiscibility gaps between LiAlSi{sub 2}O{sub 6} or LiInSi{sub 2}O{sub 6} phases and LiCrSi{sub 2}O{sub 6} phase. However, LiCrSi{sub 2}O{sub 6} and LiFeSi{sub 2}O{sub 6} components were accommodated in the pyroxene structure under favorable conditions of crystallization to form monomineralic pyroxene solid solution phase of the probably formula [Li (Fe{sub 0.5}, Cr{sub 0.5}) Si{sub 2}O{sub 6}]. The type and compatibility of the crystallized phases are discussed in relation to the compositional variation of the glasses and heat-treatment applied. The microhardness values of the crystalline materials ranged between 5282 and 6419 MPa while, the results showed that the chemical stability of the glass-ceramics was better in alkaline than in acidic media. - Highlights: • Glass ceramics based on Li{sub 2}O–Cr{sub 2}O{sub 3}–SiO{sub 2} eutectic (1028 ± 3 °C) glass were prepared. • LiCrSi{sub 2}O{sub 6} and LiFeSi{sub 2}O{sub 6} phases form monomineralic pyroxene solid

  13. Intensified crystallization in complex media: heuristics for crystallization of platform chemicals

    NARCIS (Netherlands)

    Urbanus, J.; Roelands, C.P.M.; Verdoes, D.; Horst, J.H. ter

    2012-01-01

    This paper presents heuristics for the integration of fermentation with the appropriate crystallization based in-situ product recovery (ISPR) technique. Here techniques, such as co-crystallization (CC), evaporative crystallization (EC), template induced crystallization (TIC), cooling crystallization

  14. Intensified crystallization in complex media: heuristics for crystallization of platform chemicals

    NARCIS (Netherlands)

    Urbanus, J.; Roelands, C.P.M.; Verdoes, D.; Horst, J.H. ter

    2012-01-01

    This paper presents heuristics for the integration of fermentation with the appropriate crystallization based in-situ product recovery (ISPR) technique. Here techniques, such as co-crystallization (CC), evaporative crystallization (EC), template induced crystallization (TIC), cooling crystallization

  15. Change in crystal structure and physical properties of the Multiferroics YMnO3 single crystals by Strong gravitational field

    Science.gov (United States)

    Tokuda, M.; Weijian, M.; Hayami, S.; Yoshiasa, A.; Mashimo, T.

    2017-04-01

    Many researchers have studied the multiferroicity of the hexagonal RMnO3 (R: rare-earth element) for both applications and fundamental studies. To investigate the relationship between the structure and physical properties of materials, some people apply the chemical pressure effect. The procedure of chemical pressure effect involves substituting rare-earth elements for ones which have a different ionic radius. Mashimo et al. have developed a high-temperature ultracentrifuge apparatus that can generate extended duration strong gravitational field in excess of 106 G under a wide range of temperatures (up to 500°C). Strong gravitational fields directly act on each atom as a different body force. This can cause the change in crystal structure. Thus, we subjected YMnO3 single crystal to strong gravity experiments (0.78×106 G, 400°C, 2 h) and investigated the resulting changes in the crystal structure and physical properties of the gravity sample. The single crystal four-circle X-ray diffraction measurements revealed the change in the nearest neighboring Mn-Mn and M-O bond distances. The temperature dependence of magnetic susceptibility by SQUID showed the change in the magnetic anisotropy of gravity sample.

  16. Morphological and optical properties of doped potassium hydrogen phthalate crystals

    Energy Technology Data Exchange (ETDEWEB)

    Enculescu, M., E-mail: mdatcu@infim.r [National Institute of Materials Physics, Multifunctional Materials and Structures Laboratory, PO Box MG-7, 077125 Magurele-Bucharest (Romania)

    2010-09-01

    Potassium hydrogen phthalate (KAP) crystals doped with rhodamine 6G (Rh 6G) and polyvinylpyrrolidone (PVP) were grown by solution evaporation technique. Nucleation occurred without the use of seeds and optically transparent crystals were obtained. The grown crystals were characterized by XRD measurements performed on crystals and their powders, optical transmission and photoluminescence measurements. The influence of the dopants on the structural, morphological and optical properties of the KAP crystals was analysed. Dopants do not change the structure of the single crystals while the addition of PVP changes the morphology of crystals from pseudo-hexagonal to rhomb. Three new XRD reflections are observed in all single-crystal and powder XRD spectra and are probably (0 3 0), (0 4 0) and (0 5 0) lines. The UV cut-off and transparency of the crystals are not changed by doping. Dye-doped KAP crystals exhibit a strong emission band centred at 550 nm excited with 480 nm wavelength. For the dye-doped crystals the up-conversion was investigated and its second harmonic origins are proved using photoluminescence measurements.

  17. Optical and electrical properties of glycine manganese chloride crystal

    Science.gov (United States)

    Venkatesan, G.; Kathiravan, V.; Pari, S.

    2017-06-01

    The organo-metal material of Glycine Manganese Chloride has been grown by solvent evaporation solution growth method. Single crystal XRD study has been carried out to confirm the grown crystal. FT-IR was recorded to identify the functional groups present in the crystal. The linear optical property of the grown crystal was analyzed by UV-Vis spectrum. Third order nonlinear optical properties was measured by Z-scan technique using Nd:YAG laser at 532 nm. Fluorescence emission revealed that can serve as a photo active material. Impedance and dielectric studies were also carried out for the material. Thermal property of the sample was analyzed by TG and DTA studies. The predicted NLO properties, UV-Vis absorbance and Z-scan studies indicate that the attractive material for optical applications.

  18. Spectral properties of oxide crystals free of iron ions

    Energy Technology Data Exchange (ETDEWEB)

    Kvapil, J.; Perner, B.; Kvapil, J.; Manek, B.; Kubelka, J.; Blazek, K. (Monokrystaly, Turnov (Czechoslovakia)); Austrata, R.; Schauer, P. (Czechoslovak Academy of Sciences, Brno. Inst. of Scientific Instruments); Vitamvas, Z. (Technical Univ., Liberec (Czechoslovakia))

    1982-07-01

    Al/sub 2/O/sub 3/ and YAG crystals were purified from traces of iron by the growth in reducing atmosphere. Luminescence output of such materials was substantially increased, but some undesirable properties as transient colour centre formation in YAG:Nd and low damage threshold of ruby laser rods were observed. Minimum concentration of iron ions which drastically change spectral properties of oxide crystals seems to be

  19. Growth and properties of benzil doped benzimidazole (BMZ) single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Babu, R. Ramesh, E-mail: rampap2k@yahoo.co.in [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India); Crystal Growth and Crystallography Section, National Physical Laboratory, Krishnan Marg, New Delhi 110 012 (India); Sukumar, M. [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India); Vasudevan, V. [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India); Crystal Growth and Crystallography Section, National Physical Laboratory, Krishnan Marg, New Delhi 110 012 (India); Shakir, Mohd. [Crystal Growth and Crystallography Section, National Physical Laboratory, Krishnan Marg, New Delhi 110 012 (India); Ramamurthi, K. [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India); Bhagavannarayana, G. [Crystal Growth and Crystallography Section, National Physical Laboratory, Krishnan Marg, New Delhi 110 012 (India)

    2010-09-15

    In the present work, we have made an attempt to study the effect of benzil doping on the properties of benzimidazole single crystals. For this purpose we have grown pure and benzil doped benzimidazole single crystals by vertical Bridgman technique. The grown crystals were characterized by various characterization techniques. The presence of dopants confirmed by powder X-ray diffraction (XRD). Crystalline perfection of the grown crystals has been analysed by high-resolution X-ray diffraction (HRXRD). The transmittance, electrical property and mechanical strength have been analysed using UV-vis-NIR spectroscopic, dielectric and Vicker's hardness studies. The relative second harmonic generation efficiency of pure and doped benzimidazole crystals measured using Kurtz powder test.

  20. Studies on crystal growth and physical properties of 2-amino-5-chloropyridine single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Suthan, T. [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Rajesh, N.P., E-mail: rajeshnp@hotmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Mahadevan, C.K. [Physics Research Centre, S.T. Hindu College, Nagercoil 629 002 (India); Bhagavannarayana, G. [C.G.C. Section, National Physical Laboratory, New Delhi 110 012 (India)

    2011-09-15

    Graphical abstract: 2-Amino-5-chloropyridine single crystal. Highlights: {yields} 2-Amino-5-chloropyridine single crystals grown by slow evaporation technique. {yields} Use acetone as solvent. {yields} Grown crystal conformed by XRD and FTIR. {yields} HRXRD, optical, thermal, dielectric and mechanical studies were analyzed. - Abstract: Organic 2-amino-5-chloropyridine single crystals have been grown by slow evaporation technique successfully. The grown crystal was confirmed by single and powder X-ray diffraction studies. The presence of functional groups was identified by Fourier transform infrared (FTIR) study. High resolution X-ray diffraction (HRXRD) analysis indicates the crystalline perfection of the grown crystal. UV-Vis-NIR analysis was performed to examine the optical property of the grown crystal. The thermal property of the grown crystal was studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The dielectric measurements were carried out and the results indicate an increase in dielectric and conductivity parameters with the increase of temperature at all frequencies. The Vicker's hardness study reveals that the grown crystal is in soft nature.

  1. Optical properties of 3d-ions in crystals spectroscopy and crystal field analysis

    CERN Document Server

    Brik, Mikhail

    2013-01-01

    "Optical Properties of 3d-Ions in Crystals: Spectroscopy and Crystal Field Analysis" discusses spectral, vibronic and magnetic properties of 3d-ions in a wide range of crystals, used as active media for solid state lasers and potential candidates for this role. Crystal field calculations (including first-principles calculations of energy levels and absorption spectra) and their comparison with experimental spectra, the Jahn-Teller effect, analysis of vibronic spectra, materials science applications are systematically presented. The book is intended for researchers and graduate students in crystal spectroscopy, materials science and optical applications. Dr. N.M. Avram is an Emeritus Professor at the Physics Department, West University of Timisoara, Romania; Dr. M.G. Brik is a Professor at the Institute of Physics, University of Tartu, Estonia.

  2. Evidence of incomplete annealing at 800 °C and the effects of 120 °C baking on the crystal orientation and the surface superconducting properties of cold-worked and chemically polished Nb

    Science.gov (United States)

    Sung, Z.-H.; Dzyuba, A.; Lee, P. J.; Larbalestier, D. C.; Cooley, L. D.

    2015-07-01

    High-purity niobium rods were cold-worked by wire-drawing, followed by various combinations of chemical polishing and high-vacuum baking at 120 °C or annealing at 800 °C in order to better understand changes to the surface superconducting properties resulting from typical superconducting radio-frequency cavity processing. AC susceptibility measurements revealed an enhanced upper transition Tc at ˜ 9.3-9.4 K in all samples that was stable through all annealing steps, a value significantly above the accepted Tc of 9.23 K for pure annealed niobium. Corresponding elevations were seen in the critical fields, the ratio of the surface critical field Hc3 to the bulk upper critical field Hc2 rising to 2.3, well above the Ginzburg-Landau value of 1.695. Orientation imaging revealed an extensive dislocation rich sub-grain structure in the as-drawn rods, a small reduction of the surface strain after baking at 120 °C, and a substantial but incomplete recrystallization near the surface after annealing at 800 °C. We interpret these changes in surface superconducting and structural properties to extensive changes in the near-surface interstitial contamination produced by baking and annealing and to synergistic interactions between H and surface O introduced during electropolishing and buffered chemical polishing.

  3. Crystal growth, defects, and mechanical and spectral properties of a novel mixed laser crystal Nd:GdYNbO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Shoujun; Dou, Renqin [Chinese Academy of Sciences, Anhui Institute of Optics and Fine Mechanics, Hefei, Anhui Province (China); University of Science and Technology of China, Hefei (China); Liu, Wenpeng; Zhang, Qingli; Peng, Fang; Luo, Jianqiao; Sun, Guihua; Sun, Dunlu [Chinese Academy of Sciences, Anhui Institute of Optics and Fine Mechanics, Hefei, Anhui Province (China)

    2017-01-15

    A mixed laser crystal of Nd-doped GYNO crystal was grown successfully by Czochralski method. The crystal belongs to monoclinic system with space group I2/a, the structural parameters are obtained by the X-ray Rietveld refinement method. The defects and dislocations along three crystallographic orientations were studied by using the chemical etching method with the phosphoric acid etchant. The mechanical properties (including hardness, yield strength, fracture toughness, and brittle index) of the crystal were estimated by Vickers hardness test. The transmission spectrum was measured at room temperature, and the absorption peaks were assigned. Spectral properties of the as-grown crystal were investigated by Judd-Ofelt theory, and the Judd-Ofelt intense parameters Ω{sub 2,4,6} were obtained to be 9.674 x 10{sup -20}, 2.092 x 10{sup -20}, and 4.061 x 10{sup -20} cm{sup 2}, respectively. (orig.)

  4. Density functional study of electronic, charge density, and chemical bonding properties of 9-methyl-3-Thiophen-2-YI-Thieno [3,2-e] [1, 2, 4] Thriazolo [4,3-c] pyrimidine-8-Carboxylic acid ethyl ester crystals

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H., E-mail: maalidph@yahoo.co.uk [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Kamarudin, H. [Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Alahmed, Z.A. [Department of Physics and Astronomy, King Saud University, Riyadh 11451 (Saudi Arabia); Auluck, S. [CSIR-National Physical Laboratory, Dr. K S Krishnan Marg, New Delhi 110012 (India); Chyský, Jan [Department of Instrumentation and Control Engineering, Faculty of Mechanical Engineering, CTU in Prague, Technicka 4, 166 07 Prague 6 (Czech Republic)

    2014-06-01

    A comprehensive theoretical density functional investigation of the electronic crystal structure, chemical bonding, and the electron charge densities of 9-Methyl-3-Thiophen-2-YI-Thieno [3, 2-e] [1, 2, 4] Thriazolo [4,3-c] Pyrimidine-8-Carboxylic Acid Ethyl Ester (C{sub 15}H{sub 12}N{sub 4}O{sub 2}S{sub 2}) is performed. The density of states at Fermi level equal to 5.50 (3.45) states/Ry cell, and the calculated bare electronic specific heat coefficient is found to be 0.95 (0.59) mJ/mole-K{sup 2} for the local density approximation (Engel–Vosko generalized gradient approximation). The electronic charge density space distribution contours in (1 0 0) and (1 1 0) planes were calculated. We find that there are two independent molecules (A and B) in the asymmetric unit exhibit intramolecular C–H…O, C–H…N interactions. This intramolecular interaction is different in molecules A and B, where A molecule show C–H…O interaction while B molecule exhibit C–H…N interaction. We should emphasis that there is π–π interaction between the pyrimidine rings of the two neighbors B molecules gives extra strengths and stabilizations to the superamolecular structure. The calculated distance between the two neighbors pyrimidine rings found to be 3.345 Å, in good agreement with the measured one (3.424(1) Å). - Highlights: • Electronic structure, chemical bonding, and electron charge density were studied. • Density of states at Fermi level is 5.50 (3.45) states/Ry cell, for LDA (EVGGA). • Bare electronic specific heat coefficient is 0.95 (0.59) mJ/mole-K{sup 2} for LDA(EVGGA). • There are two independent molecules (A and B) in the asymmetric unit.

  5. Single crystal Processing and magnetic properties of gadolinium nickel

    Energy Technology Data Exchange (ETDEWEB)

    Shreve, Andrew John [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    GdNi is a rare earth intermetallic material that exhibits very interesting magnetic properties. Spontaneous magnetostriction occurs in GdNi at T{sub C}, on the order of 8000ppm strain along the c-axis and only until very recently the mechanism causing this giant magnetostriction was not understood. In order to learn more about the electronic and magnetic structure of GdNi, single crystals are required for anisotropic magnetic property measurements. Single crystal processing is quite challenging for GdNi though since the rare-earth transition-metal composition yields a very reactive intermetallic compound. Many crystal growth methods are pursued in this study including crucible free methods, precipitation growths, and specially developed Bridgman crucibles. A plasma-sprayed Gd2O3 W-backed Bridgman crucible was found to be the best means of GdNi single crystal processing. With a source of high-quality single crystals, many magnetization measurements were collected to reveal the magnetic structure of GdNi. Heat capacity and the magnetocaloric effect are also measured on a single crystal sample. The result is a thorough report on high quality single crystal processing and the magnetic properties of GdNi.

  6. Controlled chemical modification of the internal surface of photonic crystal fibers for application as biosensitive elements

    Science.gov (United States)

    Pidenko, Sergey A.; Burmistrova, Natalia A.; Pidenko, Pavel S.; Shuvalov, Andrey A.; Chibrova, Anastasiya A.; Skibina, Yulia S.; Goryacheva, Irina Y.

    2016-10-01

    Photonic crystal fibers (PCF) are one of the most promising materials for creation of constructive elements for bio-, drug and contaminant sensing based on unique optical properties of the PCF as effective nanosized optical signal collectors. In order to provide efficient and controllable binding of biomolecules, the internal surface of glass hollow core photonic crystal fibers (HC-PCF) has been chemically modified with silanol groups and functionalized with (3-aminopropyl) triethoxysilane (APTES). The shift of local maxima in the HC-PCF transmission spectrum has been selected as a signal for estimating the amount of silanol groups on the HC-PCF inner surface. The relationship between amount of silanol groups on the HC-PCF inner surface and efficiency of following APTES functionalization has been evaluated. Covalent binding of horseradish peroxidase (chosen as a model protein) on functionalized PCF inner surface has been performed successively, thus verifying the possibility of creating a biosensitive element.

  7. EFFECT OF CHEMICAL STRUCTURE OF COMONOMERS ON THE PROPERTIES OF COPOLYESTERS

    Institute of Scientific and Technical Information of China (English)

    WU Rongrui; GAO Jing; LI Huiping

    1997-01-01

    The effect of different kinds of comonomers with or without flexible chain on properties of copolyesters, such as transition temperature, crystallization velocity, crystallinity and size of crystallites, is studied. The experimental results indicate the obvious difference in properties between comonomers with iso- and ortho-structure of phenyl ring and comonomers with flexible chain. The influence of chemical structure of comonomers on properties of copolyesters is discussed.

  8. Chemical imaging of protein adsorption and crystallization on a wettability gradient surface.

    Science.gov (United States)

    Glassford, Stefanie; Chan, K L Andrew; Byrne, Bernadette; Kazarian, Sergei G

    2012-02-14

    The use of self-assembled monolayers is an established method to study the effect of surface properties on proteins and other biological materials. The generation of a monolayer with a gradient of chemical properties allows for the study of multiple surface properties simultaneously in a high throughput manner. Typically, in order to detect the presence of proteins or biological material on a surface, the use of additional dyes or tags is required. Here we present a novel method of studying the effect of gradient surface properties on protein adsorption and crystallization in situ through the use of ATR-FTIR spectroscopic imaging, which removes the need for additional labeling. We describe the successful application of this technique to the measurement of the growth of a gradient monolayer of octyltrichlorosilane across the surface of a silicon ATR element. ATR-FTIR imaging was also used to study the adsorption of lysozyme, as a model protein, onto the modified surface. The sensitivity of measurements obtained with a focal plane array (FPA) detector were improved though the use of pixel averaging which allowed small absorption bands to be detected with minimal effect on the spatial resolution along the gradient. Study of the effect of surface hydrophobicity on both adsorption of lysozyme to the element and lysozyme crystallization revealed that more lysozyme adsorbed to the hydrophobic side of the ATR element and more lysozyme crystals formed in the same region. These findings strongly suggest a correlation exists between surface protein adsorption and protein crystallization. This method could be applied to the study of other proteins and whole cells.

  9. Single crystal XRD, vibrational and quantum chemical calculation of pharmaceutical drug paracetamol: A new synthesis form.

    Science.gov (United States)

    Anitha, R; Gunasekaran, M; Kumar, S Suresh; Athimoolam, S; Sridhar, B

    2015-01-01

    The common house hold pharmaceutical drug, paracetamol (PAR), has been synthesized from 4-chloroaniline as a first ever report. After the synthesis, good quality single crystals were obtained for slow evaporation technique under the room temperature. The crystal and molecular structures were re-determined by the single crystal X-ray diffraction. The vibrational spectral measurements were carried out using FT-IR and FT-Raman spectroscopy in the range of 4000-400 cm(-1). The single crystal X-ray studies shows that the drug crystallized in the monoclinic system polymorph (Form-I). The crystal packing is dominated by N-H⋯O and O-H⋯O classical hydrogen bonds. The ac diagonal of the unit cell features two chain C(7) and C(9) motifs running in the opposite directions. These two chain motifs are cross-linked to each other to form a ring R4(4)(22) motif and a chain C2(2)(6) motif which is running along the a-axis of the unit cell. Along with the classical hydrogen bonds, the methyl group forms a weak C-H⋯O interactions in the crystal packing. It offers the support for molecular assembly especially in the hydrophilic regions. Further, the strength of the hydrogen bonds are studied the shifting of vibrational bands. Geometrical optimizations of the drug molecule were done by the Density Functional Theory (DFT) using the B3LYP function and Hartree-Fock (HF) level with 6-311++G(d,p) basis set. The optimized molecular geometry and computed vibrational spectra are compared with experimental results which show significant agreement. The factor group analysis of the molecule was carried out by the various molecular symmetry, site and factor group species using the standard correlation method. The Natural Bond Orbital (NBO) analysis was carried out to interpret hyperconjugative interaction and intramolecular charge transfer (ICT). The chemical softness, chemical hardness, electro-negativity, chemical potential and electrophilicity index of the molecule were found out first

  10. Crystal-Chemical Analysis Martian Minerals in Gale Crater

    Science.gov (United States)

    Morrison, S. M.; Downs, R. T.; Blake, D. F.; Bish, D. L.; Ming, D. W.; Morris, R. V.; Yen, A. S.; Chipera, S. J.; Treiman, A. H.; Vaniman, D. T.; hide

    2015-01-01

    The CheMin instrument on the Mars Science Laboratory rover Curiosity performed X-ray diffraction analyses on scooped soil at Rocknest and on drilled rock fines at Yellowknife Bay (John Klein and Cumberland samples), The Kimberley (Windjana sample), and Pahrump (Confidence Hills sample) in Gale crater, Mars. Samples were analyzed with the Rietveld method to determine the unit-cell parameters and abundance of each observed crystalline phase. Unit-cell parameters were used to estimate compositions of the major crystalline phases using crystal-chemical techniques. These phases include olivine, plagioclase and clinopyroxene minerals. Comparison of the CheMin sample unit-cell parameters with those in the literature provides an estimate of the chemical compositions of the major crystalline phases. Preliminary unit-cell parameters, abundances and compositions of crystalline phases found in Rocknest and Yellowknife Bay samples were reported in. Further instrument calibration, development of 2D-to- 1D pattern conversion corrections, and refinement of corrected data allows presentation of improved compositions for the above samples.

  11. Photonic crystal fiber based chloride chemical sensors for corrosion monitoring

    Science.gov (United States)

    Wei, Heming; Tao, Chuanyi; Krishnaswamy, Sridhar

    2016-04-01

    Corrosion of steel is one of the most important durability issues in reinforced concrete (RC) structures because aggressive ions such as chloride ions permeate concrete and corrode steel, consequently accelerating the destruction of structures, especially in marine environments. There are many practical methods for corrosion monitoring in RC structures, mostly focusing on electrochemical-based sensors for monitoring the chloride ion which is thought as one of the most important factors resulting in steel corrosion. In this work, we report a fiber-optic chloride chemical sensor based on long period gratings inscribed in a photonic crystal fiber (PCF) with a chloride sensitive thin film. Numerical simulation is performed to determine the characteristics and resonance spectral response versus the refractive indices of the analyte solution flowing through into the holes in the PCF. The effective refractive index of the cladding mode of the LPGs changes with variations of the analyte solution concentration, resulting in a shift of the resonance wavelength, hence providing the sensor signal. This fiber-optic chemical sensor has a fast response, is easy to prepare and is not susceptible to electromagnetic environment, and can therefore be of use for structural health monitoring of RC structures subjected to such aggressive environments.

  12. Dataset on photonic crystal fiber based chemical sensor.

    Science.gov (United States)

    Ahmed, Kawsar; Paul, Bikash Kumar; Chowdhury, Sawrab; Islam, Md Shadidul; Sen, Shuvo; Islam, Md Ibadul; Asaduzzaman, Sayed; Bahar, Ali Newaz; Miah, Mohammad Badrul Alam

    2017-06-01

    This article represents the data set of micro porous core photonic crystal fiber based chemical sensor. The suggested structure is folded cladding porous shaped with circular air hole. Here is investigated four distinctive parameters including relative sensitivity, confinement loss, numerical aperture (NA), and effective area (Aeff). The numerical outcomes are computed over the E+S+C+L+U communication band. The useable sensed chemicals are methanol, ethanol, propanol, butanol, and pentanol whose are lies in the alcohol series (Paul et al., 2017) [1]. Furthermore, V-parameter (V), Marcuse spot size (MSS), and beam divergence (BD) are also investigated rigorously. All examined results have been obtained using finite element method based simulation software COMSOL Multiphysics 4.2 versions with anisotropic circular perfectly matched layer (A-CPML). The proposed PCF shows the high NA from 0.35 to 0.36; the low CL from ~10(-11) to ~10(-7) dB/m; the high Aeff from 5.50 to 5.66 µm(2); the MSS from 1.0 to 1.08 µm; the BD from 0.43 to 0.46 rad at the controlling wavelength λ = 1.55 µm for employing alcohol series respectively.

  13. Dataset on photonic crystal fiber based chemical sensor

    Directory of Open Access Journals (Sweden)

    Kawsar Ahmed

    2017-06-01

    Full Text Available This article represents the data set of micro porous core photonic crystal fiber based chemical sensor. The suggested structure is folded cladding porous shaped with circular air hole. Here is investigated four distinctive parameters including relative sensitivity, confinement loss, numerical aperture (NA, and effective area (Aeff. The numerical outcomes are computed over the E+S+C+L+U communication band. The useable sensed chemicals are methanol, ethanol, propanol, butanol, and pentanol whose are lies in the alcohol series (Paul et al., 2017 [1]. Furthermore, V-parameter (V, Marcuse spot size (MSS, and beam divergence (BD are also investigated rigorously. All examined results have been obtained using finite element method based simulation software COMSOL Multiphysics 4.2 versions with anisotropic circular perfectly matched layer (A-CPML. The proposed PCF shows the high NA from 0.35 to 0.36; the low CL from ~10–11 to ~10−7 dB/m; the high Aeff from 5.50 to 5.66 µm2; the MSS from 1.0 to 1.08 µm; the BD from 0.43 to 0.46 rad at the controlling wavelength λ = 1.55 µm for employing alcohol series respectively.

  14. Electrical properties of alkaline earth fluorohalide crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ayachour, D. (Lab. PHASE, C.R.N., 67 - Strasbourg (France)); Sieskind, M. (Groupe d' Optique, Non-Lineaire, 67 - Strasbourg (France)); Geist, P. (C.R.N.-G.O.P.A., 67 - Strasbourg (France))

    1991-07-01

    The ionic conductivity of undoped BaFCl, BaFBr, BaFI, SrFCl, and SrFBr single crystals is measured. The activation energies for a variety of anion vacancy mechanisms and the Schottky energy are defined. They are found to be in good agreement with Baetzold's theoretical data. Partial measurements of the static dielectric constant point out that these materials show an important dipolar contribution which is connected with their antiferroelectric character. (orig.).

  15. Shaped crystal growth of langasite-type piezoelectric single crystals and their physical properties.

    Science.gov (United States)

    Yokota, Yuui; Yoshikawa, Akira; Futami, Yoshisuke; Sato, Masato; Tota, Kazushige; Onodera, Ko; Yanagida, Takayuki

    2012-09-01

    We have grown shape-controlled langasite-type crystals by the micro-pulling-down (μ-PD) method. Columnar shaped La(3)Ta(0.5)Ga(5.5)O(14) (LTG), Ca(3)NbGa(3)Si(2)O(14) (CNGS), Ca(3)TaGa(3)Si(2)O(14) (CTGS), Sr(3)NbGa(3)Si(2)O(14) (SNGS), and Sr(3)Ta- Ga(3)Si(2)O(14) (STGS) crystals were grown using a Pt-Rh crucible with a 3-mm-diameter columnar die at the bottom. All grown crystals showed high transparency except for the peripheral area and diameter of approximately 3 mm. The chemical phases at the central parts of the grown crystals were identified as a single phase of langasite-type structure and their lattice parameters were almost the same as those of crystals grown by the Czochralski (Cz) method; however, some impurity phases were observed in the peripheral area. In X-ray rocking curve measurements, the grown crystals indicated equivalent crystallinity to the crystal grown by the Cz method. The piezoelectric constant d(11) of the CNGS crystal was 3.98 pC/N; this value is well correlated with those of previous reports.

  16. Nonlinear Optical BBO Crystals: Growth, Properties and Applications

    Institute of Scientific and Technical Information of China (English)

    唐鼎元

    2000-01-01

    Low temperature phase barium metaborate β-BaB2O4 (BBO) is an important nonlinear optical material. Up to now, the BBO single crystals with large size and good optical quality were grown from Na2O or NaF fluxed solvents by the top-seeded solution growth (TSSG) technique with or without pulling. In order to improve the growth rate and quality of BBO crystals, several new techniques such as continuous feeding, forced stirring and cooling growing crystals etc. have been suggested. Applications of BBO as an excellent nonlinear optical crystal include mainly frequency conversion of various laser radiation, high average power frequency conversion, frequency doubling of ultrashort pulses and broadly tunable optical parametric oscillators (OPO).This paper is a brief review on the growth, properties and applications of BBO crystals.

  17. Chemical and thermal properties of VIP latrine sludge

    African Journals Online (AJOL)

    2015-07-04

    Jul 4, 2015 ... 1Pollution Research Group, Department of Chemical Engineering, University ... Keywords: faecal sludge, VIP latrines, chemical properties, thermal properties ..... In: Proceedings of the EWB-UK National Research & Education.

  18. Electrical properties of molecular crystals; Proprietes electriques des cristaux moleculaires

    Energy Technology Data Exchange (ETDEWEB)

    Barraud, A. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-07-01

    This literature survey summarizes the electrical properties of molecular crystals: molecular crystal structure, transport and excitation mechanisms of charge-carriers, and differences compared to inorganic semi-conductors. The main results concerning the electrical conductivity of the most-studied molecular crystals are presented, together with the optical and photo-electrical properties of these crystals. Finally the different types of electrical measurements used are reviewed, as well as the limits of each method. (author) [French] Cette etude bibliographique resume les proprietes electriques des cristaux moleculaires: structure des cristaux moleculaires, mecanismes de transport et d'excitation des porteurs de charge et differences avec les semiconducteurs mineraux. Les principaux resultats sur la conductibilite electrique des cristaux moleculaires les plus etudies y sont exposes, ainsi que les proprietes optiques et photoelectriques de ces cristaux. Enfin les differents types de mesures electriques utilisees sont passees en revue ainsi que les limites de chaque methode. (auteur)

  19. Magneto-optical properties of biogenic photonic crystals in algae

    Energy Technology Data Exchange (ETDEWEB)

    Iwasaka, M., E-mail: iwasaka-m@umin.ac.jp [Chiba University, 1-33 Yayoicho, Inage-ku, 263-8522 Chiba (Japan); Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi 332-0012 Saitama (Japan); Mizukawa, Y. [Chiba University, 1-33 Yayoicho, Inage-ku, 263-8522 Chiba (Japan)

    2014-05-07

    In the present study, the effects of strong static magnetic fields on the structural colors of the cell covering crystals on a microalgae, coccolithophore, were investigated. The coccolithophore, Emiliania huxleyi, generates a precise assembly of calcite crystals called coccoliths by biomineralization. The coccoliths attached to the cells exhibited structural colors under side light illumination, and the colors underwent dynamic transitions when the magnetic fields were changed between 0 T and 5 T, probably due to diamagnetically induced changes of their inclination under the magnetic fields. The specific light-scattering property of individual coccoliths separated from the cells was also observed. Light scattering from a condensed suspension of coccoliths drastically decreased when magnetic fields of more than 4 T were applied parallel to the direction of observation. The magnetically aligned cell-covering crystals of the coccolithophores exhibited the properties of both a photonic crystal and a minimum micromirror.

  20. Engineering electrical properties of graphene: chemical approaches

    Science.gov (United States)

    Kim, Yong-Jin; Kim, Yuna; Novoselov, Konstantin; Hong, Byung Hee

    2015-12-01

    To ensure the high performance of graphene-based devices, it is necessary to engineer the electrical properties of graphene with enhanced conductivity, controlled work function, opened or closed bandgaps, etc. This can be performed by various non-covalent chemical approaches, including molecular adsorption, substrate-induced doping, polymerization on graphene, deposition of metallic thin films or nanoparticles, etc. In addition, covalent approaches such as the substitution of carbon atoms with boron or nitrogen and the functionalization with hydrogen or fluorine are useful to tune the bandgaps more efficiently, with better uniformity and stability. In this review, representative examples of chemically engineered graphene and its device applications will be reviewed, and remaining challenges will be discussed.

  1. Effect of Co2+ doping on solubility, crystal growth and properties of ADP crystals

    Science.gov (United States)

    Ganesh, V.; Shkir, Mohd.; AlFaify, S.; Yahia, I. S.

    2016-09-01

    Bulk size crystal growth of ADP with different concentrations doping of cobalt (Co2+) has been done by low cost slow evaporation technique at ambient conditions. The solubility measurement was carried out on pure and doped crystals and found that the solubility is decreasing with doping concentrations. The presence of Co2+ ion in crystalline matrix of ADP has been confirmed by structural, vibrational and elemental analyses. Scanning electron microscopic study reveals that the doping has strong effect on the quality of the crystals. The optical absorbance and transmission confirms the enhancement of quality of ADP crystals due to Co2+ doping and so the optical band gap. Further the dislocation, photoluminescence, dielectric and mechanical studies confirms that the properties of grown crystals with Co2+ doping has been enriched and propose it as a better candidate for optoelectronic applications.

  2. Heterocyclic benzoxazole-based liquid crystals: Synthesis and mesomorphic properties

    Institute of Scientific and Technical Information of China (English)

    Sie Tiong Ha; Kok Leei Foo; Ramesh T. Subramaniam; Masato M. Ito; S. Sreehari Sastry; Siew Teng Ong

    2011-01-01

    New Schiff base liquid crystals containing benzoxazole core and alkanoyloxy chain at the end group of the molecules (Cn-1H2n-1COO-, n= 14,16,18) was synthesized. The present compounds are enantiotropic smectic A liquid crystals. It was also found that the end groups of the molecules and polar chloro substituent at the benzoxazole fragment had effect on the mesomorphic properties.

  3. Determination of specific binding interactions at L-cystine crystal surfaces with chemical force microscopy.

    Science.gov (United States)

    Mandal, Trinanjana; Ward, Michael D

    2013-04-17

    The pathogenesis of L-cystine kidney stones involves four critical steps: nucleation, crystal growth, crystal aggregation, and crystal adhesion to cells. Although inhibition of crystal growth by L-cystine "imposters" at L-cystine crystal surfaces has been suggested as a plausible route for the suppression of stones, understanding the factors that govern crystal-crystal aggregation and adhesion of crystals to epithelial cells also is essential for devising strategies to mitigate L-cystine stone formation. Chemical force microscopy performed with atomic force microscope tips decorated with functional groups commonly found in urinary constituents that likely mediate aggregation and attachment (e.g., COOH, NH2, SH, CH3, OH) revealed signatures that reflect differences in the chemical affinity of these groups for the (001) and {100} faces of the naturally occurring hexagonal form of L-cystine single crystals and the {110} faces of the non-native tetragonal form. These signatures can be explained by the different chemical compositions of the crystal faces, and they reveal a remarkable binding specificity of the thiol group for the sulfur-rich {100} and {110} faces of the hexagonal and tetragonal forms, respectively. Collectively, these observations suggest that alterations of the crystal habit and polymorph by crystal growth inhibitors may not affect crystal aggregation or adhesion to cells significantly.

  4. Octenidine dihydrochloride: chemical characteristics and antimicrobial properties.

    Science.gov (United States)

    Assadian, Ojan

    2016-03-01

    The empiric use of antibiotics is being restricted due to the spread of antimicrobial resistance. However, topical antiseptics are less likely to induce resistance, owing to their unspecific mode of action and the high concentrations in which they can be used. One such antiseptic, octenidine dihydrochloride (OCT), can be used either prophylactically or therapeutically on the skin, mucosa and wounds. Evidence to support its use comes from in-vitro, animal and clinical studies on its safety, tolerability and efficacy. This article summarises the physical, chemical and antimicrobial properties of OCT in the context of wound care.

  5. Arbutus unedo L.: chemical and biological properties.

    Science.gov (United States)

    Miguel, Maria G; Faleiro, Maria L; Guerreiro, Adriana C; Antunes, Maria D

    2014-09-30

    Arbutus unedo L. (strawberry tree) has a circum-Mediterranean distribution, being found in western, central and southern Europe, north-eastern Africa (excluding Egypt and Libya) and the Canary Islands and western Asia. Fruits of the strawberry tree are generally used for preparing alcoholic drinks (wines, liqueurs and brandies), jams, jellies and marmalades, and less frequently eaten as fresh fruit, despite their pleasing appearance. An overview of the chemical composition of different parts of the plant, strawberry tree honey and strawberry tree brandy will be presented. The biological properties of the different parts of A. unedo and strawberry tree honey will be also overviewed.

  6. Arbutus unedo L.: Chemical and Biological Properties

    Directory of Open Access Journals (Sweden)

    Maria G. Miguel

    2014-09-01

    Full Text Available Arbutus unedo L. (strawberry tree has a circum-Mediterranean distribution, being found in western, central and southern Europe, north-eastern Africa (excluding Egypt and Libya and the Canary Islands and western Asia. Fruits of the strawberry tree are generally used for preparing alcoholic drinks (wines, liqueurs and brandies, jams, jellies and marmalades, and less frequently eaten as fresh fruit, despite their pleasing appearance. An overview of the chemical composition of different parts of the plant, strawberry tree honey and strawberry tree brandy will be presented. The biological properties of the different parts of A. unedo and strawberry tree honey will be also overviewed.

  7. Distinctive features of a crystal, crystal-like properties of a liquid and atomic quantum effects

    Science.gov (United States)

    Pavlov, V. V.

    2008-02-01

    It is believed that 'a crystal is similar to the crowd which is tightly compressed within enclosed space' and its structure in the simplest case is similar to the closest ball packing. Based on this assumption the strength of a crystal, long range ordering, the granular structure, capability for polymorphic transformation etc. were deduced. In a liquid such properties are impossible even in feebly marked form. However some of crystal-like features of melts are revealed in experiments and they frequently remain unacknowledged with a theory. From the other hand, computer model of crystal does not give even listed distinctive features of a crystal state. In the classical model the solidification more than to sunflower oil consistence was not obtained. It is possible to reach the real solidification if quantum 'freezing' of a part of atomic degrees of freedom would taken into account and any movement would stopped at zero energy level. There are some reasons to believe that another crystal properties and corresponding crystal-like features of liquids also can be got basing on these atomic quantum effects. In this case the reasons of many discussions on 'heredity', 'memory' of liquid and its microheterogeneity disappear.

  8. Role of the crystallization substrate on the photoluminescence properties of organo-lead mixed halides perovskites

    Directory of Open Access Journals (Sweden)

    Michele De Bastiani

    2014-08-01

    Full Text Available We have fabricated CH3NH3PbI3−xClx perovskite thin films crystallized in situ on substrates of different natures (e.g., porosity, wettability and investigated their photoluminescence properties. We observe that the crystallization time and thin film structure are strongly influenced by the chemical nature and porosity of the substrate. Moreover, we find that the mesoporous scaffold can tune the emissive properties of the semiconducting compound both in terms of spectral region and dynamics. In particular, perovskite crystallites grown in the nanometre size porous scaffold present a shorter-living and blue-shifted emission with respect to the perovskite crystals which are free to grow without any constraints.

  9. Role of the crystallization substrate on the photoluminescence properties of organo-lead mixed halides perovskites

    Science.gov (United States)

    De Bastiani, Michele; D'Innocenzo, Valerio; Stranks, Samuel D.; Snaith, Henry J.; Petrozza, Annamaria

    2014-08-01

    We have fabricated CH3NH3PbI3-xClx perovskite thin films crystallized in situ on substrates of different natures (e.g., porosity, wettability) and investigated their photoluminescence properties. We observe that the crystallization time and thin film structure are strongly influenced by the chemical nature and porosity of the substrate. Moreover, we find that the mesoporous scaffold can tune the emissive properties of the semiconducting compound both in terms of spectral region and dynamics. In particular, perovskite crystallites grown in the nanometre size porous scaffold present a shorter-living and blue-shifted emission with respect to the perovskite crystals which are free to grow without any constraints.

  10. Discovering More Chemical Concepts from 3D Chemical Information Searches of Crystal Structure Databases

    Science.gov (United States)

    Rzepa, Henry S.

    2016-01-01

    Three new examples are presented illustrating three-dimensional chemical information searches of the Cambridge structure database (CSD) from which basic core concepts in organic and inorganic chemistry emerge. These include connecting the regiochemistry of aromatic electrophilic substitution with the geometrical properties of hydrogen bonding…

  11. Discovering More Chemical Concepts from 3D Chemical Information Searches of Crystal Structure Databases

    Science.gov (United States)

    Rzepa, Henry S.

    2016-01-01

    Three new examples are presented illustrating three-dimensional chemical information searches of the Cambridge structure database (CSD) from which basic core concepts in organic and inorganic chemistry emerge. These include connecting the regiochemistry of aromatic electrophilic substitution with the geometrical properties of hydrogen bonding…

  12. Atomic, Crystal, Elastic, Thermal, Nuclear, and Other Properties of Beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Goldberg, A

    2006-02-01

    This report is part of a series of documents that provide a background to those involved in the construction of beryllium components and their applications. This report is divided into five sub-sections: Atomic/Crystal Structure, Elastic Properties, Thermal Properties, Nuclear Properties, and Miscellaneous Properties. In searching through different sources for the various properties to be included in this report, inconsistencies were at times observed between these sources. In such cases, the values reported by the Handbook of Chemistry and Physics was usually used. In equations, except where indicated otherwise, temperature (T) is in degrees Kelvin.

  13. Optic properties of bile liquid crystals in human body

    Institute of Scientific and Technical Information of China (English)

    Hai Ming Yang; Jie Wu; Jian Li Zhou; Li Jun He; Xian Fang Xu; Jin Yi Li

    2000-01-01

    AIM To further study the properties of bile liquid crystals, and probe into the relationship between bile liquid crystals and gallbladder stone formation, and provide evidence for the prevention and treatment of cholecystolithissis. METNODS The optic properties of bile liquid crystals in human body were determined by the method of crystal optics under polarizing microscope with plane polarized light and perpendicular polarized light. RESULTS Under a polarizing microscope with plane polarized light, bile liquid crystals scattered in bile appeared round, oval or irregularly round. The color of bile liquid crystals was a little lighter than that of the bile around. When the stage was turned round, the color of bile liquid crystals or the darkness and lightness of the color did not change obviously. On the border between bile liquid crystals and the bile around, brighter Becke-Line could be observed. When the microscope tube is lifted, Becke. Line moved inward, and when lowered,Becke-Line moved outward. Under a perpendicular polarized light, bile liquid crystals showd some special interference patterns, called Malta cross. When the stage was tuming round at an angle of 360°, the Malta cross showed four times of extinction. In the vibrating direction of 45° angle of relative to upper and lower polarizing plate, gypsum test-board with optical path difference of 530 nm was inserted, the first and the third quadrants of Malta cross appeared to be blue, and the second and the fourth quadrants appeared orange. When mica test-board with optical path difference of 147 nm was inserted, the first and the third quadrants of Malta cross appeared yellow, and the second and the fourth quadrants appeared dark grey. CONCLUSION The bile liquid crystals were distributed in bile in the form of global grains. Their polychroism and absorption were slight,but the edge and Becke-Line were very clear. Its refractive index was larger than that of the bile.These liquid crystals were uniaxial

  14. Property Modelling for Applications in Chemical Product and Process Design

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    Physical-chemical properties of pure chemicals and their mixtures play an important role in the design of chemicals based products and the processes that manufacture them. Although, the use of experimental data in design and analysis of chemicals based products and their processes is desirable...... such as database, property model library, model parameter regression, and, property-model based product-process design will be presented. The database contains pure component and mixture data for a wide range of organic chemicals. The property models are based on the combined group contribution and atom...... modeling tools in design and analysis of chemical product-process design, including biochemical processes will be highlighted....

  15. Absorption and emission properties of photonic crystals and metamaterials

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Lili [Iowa State Univ., Ames, IA (United States)

    2007-01-01

    We study the emission and absorption properties of photonic crystals and metamaterials using Comsol Multiphysics and Ansoft HFSS as simulation tools. We calculate the emission properties of metallic designs using drude model and the results illustrate that an appropriate termination of the surface of the metallic structure can significantly increase the absorption and therefore the thermal emissivity. We investigate the spontaneous emission rate modifications that occur for emitters inside two-dimensional photonic crystals and find the isotropic and directional emissions with respect to different frequencies as we have expected.

  16. Anisotropic surface hole-transport property of triphenylamine-derivative single crystal prepared by solution method

    Science.gov (United States)

    Umeda, Minoru; Katagiri, Mitsuhiko; Shironita, Sayoko; Nagayama, Norio

    2016-12-01

    This paper reports the anisotropic hole transport at the triphenylamine-derivative single crystal surface prepared by a solution method. Triphenylamine derivatives are commonly used in a hole-transport material for organic photoconductors of laser-beam printers, in which the materials are used as an amorphous form. For developing organic photovoltaics using the photoconductor's technology, preparation of a single crystal seems to be a specific way by realizing the high mobility of an organic semiconductor. In this study, a single crystal of 4-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)-benzenamine (TPA) was prepared and its anisotropic hole-transport property measured. First, the hole-transport property of the TPA was investigated based on its chemical structure and electrochemical redox characteristics. Next, a large-scale single crystal formation at a high rate was developed by employing a solution method based on its solubility and supersolubility curves. The grown TPA was found to be a single crystal based on the polarization micrograph observation and crystallographic analysis. For the TPA single crystal, an anisotropic surface conduction was found, which was well explained by its molecular stack structure. The measured current in the long-axis direction is one order of magnitude greater than that of amorphous TPA.

  17. Curvature properties of the slowness surface of the system of crystal acoustics for cubic crystals II

    OpenAIRE

    LIESS, Otto; Sonobe, Tetsuya

    2012-01-01

    In this paper we study geometric properties of the slowness surface of the system of crystal acoustics for cubic crystals in the special case when the stiffness constants satisfy the condition $a = -2b$. The paper is a natural continuation of the paper [9] in which related properties were studied for general constants $a$ and $b$, but assuming that we were in the nearly isotropic case, in which case $a - b$ has to be small. We also take this opportunity to correct a state...

  18. Symmetry, Group Theory, and the Physical Properties of Crystals

    Science.gov (United States)

    Powell, Richard C.

    The intent of this book is to demonstrate the importance of symmetry in determining the properties of solids and the power of using group theory and tensor algebra to elucidate these properties. It is not meant to be a comprehensive text on solid state physics, so many important aspects of condensed matter physics not related to symmetry are not covered here. The book begins by discussing the concepts of symmetry relevant to crystal structures. This is followed by a summary of the basics of group theory and how it is applied to quantum mechanics. Next is a discussion of the description of the macroscopic properties of crystals by tensors and how symmetry determines the form of these tensors. The basic concepts covered in these early chapters are then applied to a series of different examples. There is a discussion of the use of point symmetry in the crystal field theory treatment of point defects in solids. Next is a discussion of crystal symmetry in determining the optical properties of solids, followed by a chapter on the nonlinear optical properties of solids. Then the role of symmetry in treating lattice vibrations is described. The last chapter discusses the effects of translational symmetry on electronic energy bands in solids.

  19. Non-classical crystallization of silicon thin films during hot wire chemical vapor deposition

    Science.gov (United States)

    Jung, Jae-Soo; Lee, Sang-Hoon; Kim, Da-Seul; Kim, Kun-Su; Park, Soon-Won; Hwang, Nong-Moon

    2017-01-01

    The deposition behavior of silicon films by hot wire chemical vapor deposition (HWCVD) was approached by non-classical crystallization, where the building block of deposition is a nanoparticle generated in the gas phase of the reactor. The puzzling phenomenon of the formation of an amorphous incubation layer on glass could be explained by the liquid-like property of small charged nanoparticles (CNPs), which are generated in the initial stage of the HWCVD process. Using the liquid-like property of small CNPs, homo-epitaxial growth as thick as 150 nm could be successfully grown on a silicon wafer at 600 °C under the processing condition where CNPs as small as possible could be supplied steadily by a cyclic process which periodically resets the process. The size of CNPs turned out to be an important parameter in the microstructure evolution of thin films.

  20. Structure and properties of MTiOXO sub 4 crystals

    CERN Document Server

    Latham, T J

    2000-01-01

    linked to chains of particular atoms along the three crystallographic axes. Dielectric measurements of a series of arsenate crystals and various doped phosphate crystals demonstrate that MTiOXO sub 4 isomorphs exhibit dielectric relaxation of a non-Debye type and appear to conform to the hopping charge-carrier and low frequency dispersion response models. A reduction in the ionic conductivity is observed in the arsenate crystals and phosphate crystals doped with trivalent ions. Arrhenius plots indicate that the activation energies of the mixed cation arsenate crystals are significantly higher than the other KTiOPO sub 4 isomorphs. This observation suggests that the modified oxygen framework in these mixed arsenate crystals contributes intrinsically to the large activation energies required for ionic conduction. This thesis is a study of the structural, optical and electrical properties of MTiOXO sub 4 crystals, where M is a monovalent cation such as K, Rb etc and X is P or As. Low and high-temperature single-...

  1. Thermodynamic properties of the magnetized Coulomb crystal lattices

    Science.gov (United States)

    Kozhberov, A. A.

    2016-08-01

    It is thought that Coulomb crystals of ions with hexagonal close-packed lattice may form in the crust of strongly-magnetized neutron stars (magnetars). In this work we are trying to verify this prediction assuming that the direction of the magnetic field corresponds to the minimum of the zero-point energy. We also continue a detailed study of vibration modes and thermodynamic properties of magnetized Coulomb crystals in a wide range of temperatures and magnetic fields. It is demonstrated that the total Helmholtz free energy of the body-centered cubic Coulomb crystal is always lower than that of the Coulomb crystal with hexagonal close-packed or face-centered cubic lattice, which casts doubt on the hypothesis above.

  2. Spectroscopic properties of $Pr^{3+}$-doped erbiumoxalate crystals

    Indian Academy of Sciences (India)

    R Pragash; N V Unnikrishnan; C Sudarsanakumar

    2011-12-01

    Spectroscopic properties of praseodymium ions-doped erbium oxalate ($Er_2(C_2O_4)_3 \\cdot nH_2O$) crystals have been investigated. The crystals were grown by hydro silica gel method under suitable pH conditions and by single diffusion method. The well-grown crystals are bright and transparent. The dark green colour of these crystals changes with the variation of the concentrations of the dopant ions. The absorption spectra have been measured in the region 200–800 nm at room temperature. Judd–Ofelt intensity parameters for f–f transitions of the $Pr^{3+}$ ions have been determined as 2 = 166.7, 4 = 1.103 and 6 = 2.898. Analyses of the absorption spectra also show a possible energy transfer from the host material to the dopant.

  3. Geometric properties of optimal photonic crystals

    DEFF Research Database (Denmark)

    Sigmund, Ole; Hougaard, Kristian G.

    2008-01-01

    on numerical optimization studies, we have discovered some surprisingly simple geometric properties of optimal planar band gap structures. We conjecture that optimal structures for gaps between bands n and n+1 correspond to n elliptic rods with centers defined by the generators of an optimal centroidal Voronoi...

  4. Synthesis, crystal growth and mechanical properties of Bismuth Silicon Oxide (BSO) single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Riscob, B. [CSIR – National Physical Laboratory, Crystal Growth and X-ray Analysis, New Delhi 110 012 (India); Institute for Plasma Research, Bhat, Gandhinagar 382428, Gujarat (India); Shkir, Mohd. [CSIR – National Physical Laboratory, Crystal Growth and X-ray Analysis, New Delhi 110 012 (India); Ganesh, V. [Department of Physics, Kakatiya University, Warangal 506 009 (India); Vijayan, N.; Maurya, K.K. [CSIR – National Physical Laboratory, Crystal Growth and X-ray Analysis, New Delhi 110 012 (India); Kishan Rao, K. [Department of Physics, Kakatiya University, Warangal 506 009 (India); Bhagavannarayana, G., E-mail: bhagavan@mail.nplindia.ernet.in [CSIR – National Physical Laboratory, Crystal Growth and X-ray Analysis, New Delhi 110 012 (India)

    2014-03-05

    Highlights: • Synthesis of Bismuth Silicon Oxide (BSO). • Single crystal growth of BSO by Czochralski (Cz) method. • Complete mechanical analysis by device fabrication point of view. • Theoretical and experimental calculations of mechanical properties. -- Abstract: Bismuth Silicon Oxide (BSO) is an efficient material for piezo-electric and electro-optic applications. In this article, growth of BSO single crystal by high temperature Czochralski melt growth technique and its detailed mechanical characterization by Vickers microhardness, fracture toughness, crack propagation, brittleness index and yield strength have been reported. The raw material was synthesized by solid state reaction using the stoichiometric ratio of high purity bismuth tri-oxide and silicon di-oxide. The synthesized material was charged in the platinum crucible and then melted. The required rotation and pulling rate was optimized for BSO single crystal growth and good quality single crystal has been harvested after a time span of 5 days. Powder X-ray diffraction analysis confirms the parent crystallization phase of BSO. The experimentally studied mechanical behavior of the crystal is explained using various theoretical models. The anisotropic nature of the crystals is studied using Knoop indentation technique.

  5. Thermal properties of single-walled carbon nanotube crystal

    Institute of Scientific and Technical Information of China (English)

    Hu Li-Jun; Liu Ji; Liu Zheng; Qiu Cai-Yu; Zhou Hai-Qing; Sun Lian-Feng

    2011-01-01

    In this work,the thermal properties of a single-walled carbon nanotube (SWCNT) crystal are studied. The thermal conductivity of the SWCNT crystal is found to have a linear dependence on temperature in the temperature range from 1.9 K to 100.0 K. In addition,a peak (658 W/mK) is found at a temperature of about 100.0 K. The thermal conductivity decreases gradually to a value of 480 W/mK and keeps almost a constant in the temperature range from 100.0 K to 300.0 K. Meanwhile,the specific heat shows an obvious linear relationship with temperature in the temperature range from 1.9 K to 300.0 K. We discuss the possible mechanisms for these unique thermal properties of the single-walled carbon nanotube crystal.

  6. Synthesis and Liquid Crystal Properties of Novel Oligothiophene Derivatives

    Institute of Scientific and Technical Information of China (English)

    LIU Ping; ZHOU Xiao-Ping; ZHAO Qi-Zhong; HU Jian-Hua; XU Yun-Hua; DENG Wen-Ji

    2003-01-01

    @@ Oligothiophenes with well defined structures have recently received a great deal of attention not only as modelcompounds for electrically conducting polythiophenes but also as a new class of functional π-electron systems. A variety of oligothiophenes have been synthesized, and their molecular and crystal structures, self ordering, electrochemical, photophysical, optical and electrical properties have been studied.

  7. Tailoring Dispersion properties of photonic crystal waveguides by topology optimization

    DEFF Research Database (Denmark)

    Stainko, Roman; Sigmund, Ole

    2007-01-01

    The paper describes a systematic method for the tailoring of dispersion properties of slab-based photonic crystal waveguides. The method is based on the topology optimization method which consists in repeated finite element frequency domain analyzes, analytical sensitivity analyzes and gradient...

  8. Non-linear optical titanyl arsenates: Crystal growth and properties

    Science.gov (United States)

    Nordborg, Jenni Eva Louise

    Crystals are appreciated not only for their appearance, but also for their unique physical properties which are utilized by the photonic industry in appliances that we come across every day. An important part of enabling the technical use of optical devices is the manufacture of crystals. This dissertation deals with a specific group of materials called the potassium titanyl phosphate (KIP) family, known for their non-linear optical and ferroelectric properties. The isomorphs vary in their linear optical and dielectric properties, which can be tuned to optimize device performance by forming solid solutions of the different materials. Titanyl arsenates have a wide range of near-infrared transmission which makes them useful for tunable infrared lasers. The isomorphs examined in the present work were primarily RbTiOASO4 (RTA) and CsTiOAsO4 (CTA) together with the mixtures RbxCs 1-xTiOAsO4 (RCTA). Large-scale crystals were grown by top seeding solution growth utilizing a three-zone furnace with excellent temperature control. Sufficiently slow cooling and constant upward lifting produced crystals with large volumes useable for technical applications. Optical quality RTA crystals up to 10 x 12 x 20 mm were grown. The greater difficulty in obtaining good crystals of CTA led to the use of mixed RCTA materials. The mixing of rubidium and cesium in RCTA is more favorable to crystal growth than the single components in pure RTA and CTA. Mixed crystals are rubidium-enriched and contain only 20-30% of the cesium concentration in the flux. The cesium atoms show a preference for the larger cation site. The network structure is very little affected by the cation substitution; consequently, the non-linear optical properties of the Rb-rich isomorphic mixtures of RTA and CTA can be expected to remain intact. Crystallographic methods utilizing conventional X-ray tubes, synchrotron radiation and neutron diffraction have been employed to investigate the properties of the atomic

  9. Optical properties of one-dimensional photonic crystals obtained by micromatchining silicon (a review)

    Science.gov (United States)

    Tolmachev, V. A.

    2017-04-01

    The theoretical and experimental investigations of photonic band gaps in one-dimensional photonic crystals created by micromatchining silicon, which have been performed by the author as part of his doctoral dissertation, are presented. The most important result of the work is the development of a method of modeling photonic crystals based on photonic band gap maps plotted in structure-property coordinates, which can be used with any optical materials and in any region of electromagnetic radiation, and also for nonperiodic structures. This method made it possible to realize the targeted control of the optical contrast of photonic crystals and to predict the optical properties of optical heterostructures and three-component and composite photonic crystals. The theoretical findings were experimentally implemented using methods of micromatchining silicon, which can be incorporated into modern technological lines for the production of microchips. In the IR spectra of a designed and a fabricated optical heterostructure (a composite photonic crystal), extended bands with high reflectivities were obtained. In a Si-based three-component photonic crystal, broad transmission bands and photonic band gaps in the middle IR region have been predicted and experimentally demonstrated for the first time. Si-liquid crystal periodic structures with electric-field tunable photonic band-gap edges have been investigated. The one-dimensional photonic crystals developed based on micromatchining silicon can serve as a basis for creating components of optical processors, as well as highly sensitive chemical and biological sensors in a wide region of the IR spectrum (from 1 to 20 μm) for lab-on-a-chip applications.

  10. Chemical properties of peat used in balneology

    Science.gov (United States)

    Szajdak, L.; Hładoń, T.

    2009-04-01

    The physiological activity of peats is observed in human peat-bath therapy and in the promotion of growth in some plants. Balneological peat as an ecologically clean and natural substance is perceived as being more 'human friendly' than synthetic compounds. Poland has a long tradition of using balneological peat for therapeutic purposes. Balneological peat reveals a physical effect by altering temperature and biochemical effects through biologically active substances. It is mainly used for the treatment of rheumatic diseases that are quite common in Poland. Peat represents natural product. Physico-chemical properties of peat in particular surface-active, sorption and ion exchanges, defining their biological function, depend mainly on the chemical composition and molecular structure of humic substances representing the major constituent of organic soil (peat). The carbon of organic matter of peats is composed of 10 to 20% carbohydrates, primarily of microbial origin; 20% nitrogen-containing constituents, such as amino acids and amino sugars; 10 to 20% aliphatic fatty acids, alkanes, etc.; with the rest of carbon being aromatic. For balneology peat should be highly decomposed (preferably H8), natural and clean. The content of humic acids should exceed 20% of dry weight, ash content will be less than 15 15% of dry weight, sulphur content less than 0.3% of dry weight and the amount of water more than 85%. It will not contain harmful bacteria and heavy metals. Humic substances (HS) of peat are known to be macromolecular polydisperse biphyllic systems including both hydrophobic domains (saturated hydrocarbon chains, aromatic structural units) and hydrophilic functional groups, i. e having amphiphilic character. Amphiphilic properties of FA are responsible for their solubility, viscosity, conformation, surfactant-like character and a variety of physicochemical properties of considerable biologically practical significance. The chemical composition of peats depends

  11. A quantum-chemical study of oxygen-vacancy defects in PbTiO{sub 3} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Stashans, Arvids [Laboratorio de Fisica, Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)]. E-mail: arvids@utpl.edu.ec; Serrano, Sheyla [Centro de Investigacion en Fisica de Materia Condensada, Corporacion de Fisica Fundamental y Aplicada, Apartado 17-12-637, Quito (Ecuador); Escuela de Ingenierias, Universidad Politecnica Salesiana, Campus Sur, Rumichaca s/n y Moran Valverde, Apartado 17-12-536, Quito (Ecuador); Medina, Paul [Centro de Investigacion en Fisica de Materia Condensada, Corporacion de Fisica Fundamental y Aplicada, Apartado 17-12-637, Quito (Ecuador)

    2006-05-31

    Investigation of an oxygen vacancy and F center in the cubic and tetragonal lattices of PbTiO{sub 3} crystals is done by means of quantum-chemical simulations. Displacements of defect-surrounding atoms, electronic and optical properties, lattice relaxation energies and some new effects due to the defects presence are reported and analyzed. A comparison with similar studies is made and conclusions are drawn on the basis of the obtained results.

  12. Frictional properties of single crystals HMX, RDX and PETN explosives.

    Science.gov (United States)

    Wu, Y Q; Huang, F L

    2010-11-15

    The frictional properties of single crystals of cyclotetramethylene tetranitramine (HMX), cyclotrimethylene trinitramine (RDX) and pentaerythritol tetranitrate (PETN) secondary explosives are examined using a sensitive friction machine. The explosive crystals used for the measurements are at least 3.5 mm wide. The friction coefficients between crystals of the same explosive (i.e., HMX on HMX, etc.), crystals of different explosives (i.e., HMX on RDX, etc.), and each explosive and a well-polished gauge steel surface are determined. The frictional surfaces are also studied under an environmental scanning electron microscope (ESEM) to analyze surface microstructural changes under increasing loading forces. The friction coefficients vary considerably with increasing normal loading forces and are particularly sensitive to slider shapes, crystal roughness and the mechanical properties of both the slider and the sample. With increasing loading forces, most friction experiments show surface damage, consisting of grooves, debris, and nano-particles, on both the slider and sample. In some cases, a strong evidence of a localized molten state is found in the central region of the friction track. Possible mechanisms that affect the friction coefficient are discussed based on microscopic observations. Copyright © 2010 Elsevier B.V. All rights reserved.

  13. Deciphering chemical order/disorder and material properties at the single-atom level.

    Science.gov (United States)

    Yang, Yongsoo; Chen, Chien-Chun; Scott, M C; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R C; Sabirianov, Renat F; Zeng, Hao; Ercius, Peter; Miao, Jianwei

    2017-02-01

    Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling 'real' materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure-property relationships at the fundamental level.

  14. Deciphering chemical order/disorder and material properties at the single-atom level

    Science.gov (United States)

    Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R. C.; Sabirianov, Renat F.; Zeng, Hao; Ercius, Peter; Miao, Jianwei

    2017-02-01

    Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.

  15. Structural and optical properties of LiKB{sub 4}O{sub 7} single crystals grown by Czochralski technique

    Energy Technology Data Exchange (ETDEWEB)

    Sukumar, M. [Crystal Growth and Thin Film Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu (India); Babu, R. Ramesh, E-mail: rampap2k@yahoo.co.in [Crystal Growth and Thin Film Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu (India); Ramamurthi, K. [Crystal Growth and Thin Film Laboratory, Department of Physics and Nanotechnology, Faculty of Engineering and Technology, SRM University, Kattankulathur 603 203, Tamil Nadu (India); Bhagavannarayana, G. [Crystal Growth and Crystallography Section, National Physical Laboratory, Krishnan Marg, New Delhi 110 012 (India)

    2015-06-15

    One of the alkali metal borates, lithium potassium borate (LiKB{sub 4}O{sub 7}) single crystal, was grown following two different micro step pulling movements employing the modified crystal puller. The influence of two different micro step pulling movements on the crystalline nature, optical properties and micro morphology of the grown LiKB{sub 4}O{sub 7} crystal was investigated by high resolution X-ray diffraction (HRXRD) analysis and birefringence interferometry and chemical etching techniques, respectively. HRXRD studies revealed that the crystalline perfection of the grown crystals is reasonably good. Interferometric images showed that the crystal grown under higher micro step pulling movement has very less number of scattering centers. The etching studies revealed that the crystal grown under higher micro steps pulling movement contains relatively low level dislocation density. - Graphical abstract: Diffraction curve recorded for LiKB{sub 4}O{sub 7} crystal from (a) top portion and (b) bottom portion. - Highlights: • LiKB{sub 4}O{sub 7} crystal was grown under two different micro stepping movements by the crystal puller. • Crystalline nature, optical properties and micro morphology of LiKB{sub 4}O{sub 7} were investigated. • The micro stepping pull movement reduces the dislocation density during the growth of LiKB{sub 4}O{sub 7} crystals.

  16. Studies on crystal growth and physical properties of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline single crystal

    Science.gov (United States)

    Jebin, R. P.; Suthan, T.; Rajesh, N. P.; Vinitha, G.; Dhas, S. A. Britto

    2016-07-01

    The organic material 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline has been grown by slow evaporation technique. Single crystal and Powder X-ray diffraction studies have been carried out to conform the grown crystal. FTIR and FT-Raman spectra were recorded to identify the functional groups present in the crystal. The optical property of the grown crystal was analysed by UV-Vis-NIR measurement. The thermal property of the grown crystal was analysed by thermogravimetric (TG) and differential thermal analyses (DTA). Thermal diffusivity of the grown crystal was analysed by Photo acoustic spectroscopic (PAS) studies. The third order nonlinear optical properties of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline was measured by the Z-scan technique using 532 nm diode pumped continuous wave (CW) Nd:YAG laser. The mechanical property of the grown crystal was analysed by using microhardness studies.

  17. QSPR prediction of physico-chemical properties for REACH.

    Science.gov (United States)

    Dearden, J C; Rotureau, P; Fayet, G

    2013-01-01

    For registration of a chemical, European Union REACH legislation requires information on the relevant physico-chemical properties of the chemical. Predicted property values can be used when the predictions can be shown to be valid and adequate. The relevant physico-chemical properties that are amenable to prediction are: melting/freezing point, boiling point, relative density, vapour pressure, surface tension, water solubility, n-octanol-water partition coefficient, flash point, flammability, explosive properties, self-ignition temperature, adsorption/desorption, dissociation constant, viscosity, and air-water partition coefficient (Henry's law constant). Published quantitative structure-property relationship (QSPR) methods for all of these properties are discussed, together with relevant property prediction software, as an aid for those wishing to use predicted property values in submissions to the European Chemicals Agency (ECHA).

  18. The crystallization and optical properties of LiNbO3 single crystals

    Directory of Open Access Journals (Sweden)

    SLOBODANKA NIKOLIC

    2000-06-01

    Full Text Available LiNbO3 single crystals were grown by the Czochralski technique in an air atmosphere. The critical crystal diameter Dc = 1.5 cm and the critical rate of rotation wc = 35 rpm were calculated from the dynamic of fluids equations for buoyancy-driven and forced convections under which the shape of the melt/crystal interface changed. The domain inversion was carried out at 1473 K using a 10 min 3.75 V/cm electric field. The obtained crystals were cut, polished and etched to determine the presence of dislocations and single domain structures. The lattice parameters a = 0.51494 nm, c = 1.38620 nm and V = 0.3186 nm3 were determined by X-ray powder diffraction. The optical properties were studied by infrared spectroscopy in the wave number range 20 - 5000 cm-1. With decreasing temperature, an atypical behaviour of the phonon modes, due to the ferroelectric properties of LiNbO3 single crystal, could be seen. The optical constants were calculated by Kramers-Kronig analysis and the value of the critical temperature was estimated. The obtained results are discussed and compared with published data.

  19. Crystal growth, electrical and photophysical properties of Tl2S layered single crystals

    Indian Academy of Sciences (India)

    A M Badr; H A Elshaikh; I M Ashraf

    2009-05-01

    The Tl2S compound was prepared in a single crystal form using a special local technique, and the obtained crystals were analysed by X-ray diffraction. For the resultant crystals, the electrical properties (electrical conductivity and Hall effect) and steady-state photoconductivity were elucidated in this work. The electrical measurements extend from 170 to 430 K, where it was found that ⊥ = 8.82 × 10−5 Sm-1 when current flow direction makes right angle to the cleavage plane of the crystals. In the same range of temperatures, it was found that ∥ = 4.73 × 10−5 Sm-1 when the current flow is parallel to the cleavage plane. In line with the investigated range of temperatures, the widths of the band gaps were calculated and discussed as also the results of the electrical conductivity and Hall effect measurements. In addition, the anisotropy of the electrical conductivity (⊥/∥) for the obtained crystals was also studied in this work. Finally the photosensitivity was calculated for different levels of illumination as a result of the photoconductivity measurements, which showed that the recombination process in Tl2S single crystals is a monomolecular process.

  20. Tuning mechanical properties of pharmaceutical crystals with multicomponent crystals: voriconazole as a case study.

    Science.gov (United States)

    Sanphui, Palash; Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam R

    2015-03-02

    Crystals of voriconazole, an antifungal drug, are soft in nature, and this is disadvantageous during compaction studies where pressure is applied on the solid. Crystal engineering is used to make cocrystals and salts with modified mechanical properties (e.g., hardness). Cocrystals with biologically safe coformers such as fumaric acid, 4-hydroxybenzoic acid, and 4-aminobenzoic acid and salts with hydrochloric acid and oxalic acid are prepared through solvent assisted grinding. The presence (salt) or absence (cocrystal) of proton transfer in these multicomponent crystals is unambiguously confirmed with single crystal X-ray diffraction. All the cocrystals have 1:1 stoichiometry, whereas salts exhibit variable stoichiometries such as HCl salt (1:2) and oxalate salts (1:1.5 and 1:1). The nanoindentation technique was applied on single crystals of the salts and cocrystals. The salts exhibit better hardness than the drug and cocrystals in the order salts ≫ drug > cocrystals. The molecular origin of this mechanical modulation is explained on the basis of slip planes in the crystal structure and relative orientations of the molecules with respect to the nanoindentation direction. The hydrochloride salt is the hardest solid in this family. This may be useful for tableting of the drug during formulation and in drug development.

  1. Band structures and localization properties of aperiodic layered phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yan Zhizhong, E-mail: zzyan@bit.edu.cn [Department of Applied Mathematics, Beijing Institute of Technology, Beijing 100081 (China); Zhang Chuanzeng [Department of Civil Engineering, University of Siegen, D-57078 Siegen (Germany)

    2012-03-15

    The band structures and localization properties of in-plane elastic waves with coupling of longitudinal and transverse modes oblique propagating in aperiodic phononic crystals based on Thue-Morse and Rudin-Shapiro sequences are studied. Using transfer matrix method, the concept of the localization factor is introduced and the correctness is testified through the Rytov dispersion relation. For comparison, the perfect periodic structure and the quasi-periodic Fibonacci system are also considered. In addition, the influences of the random disorder, local resonance, translational and/or mirror symmetries on the band structures of the aperiodic phononic crystals are analyzed in this paper.

  2. Band structures and localization properties of aperiodic layered phononic crystals

    Science.gov (United States)

    Yan, Zhi-Zhong; Zhang, Chuanzeng

    2012-03-01

    The band structures and localization properties of in-plane elastic waves with coupling of longitudinal and transverse modes oblique propagating in aperiodic phononic crystals based on Thue-Morse and Rudin-Shapiro sequences are studied. Using transfer matrix method, the concept of the localization factor is introduced and the correctness is testified through the Rytov dispersion relation. For comparison, the perfect periodic structure and the quasi-periodic Fibonacci system are also considered. In addition, the influences of the random disorder, local resonance, translational and/or mirror symmetries on the band structures of the aperiodic phononic crystals are analyzed in this paper.

  3. Synthesis and Liquid Crystals Properties of α-Methylated Galactosides

    Science.gov (United States)

    Rodzi, N. Z. B. M.; Heidelberg, T.; Hashim, R.; Sugimura, A.; Minamikawa, H.

    Due to the amphiphilicity nature of glycolipids, some are known to exhibits liquid crystals phases both in thermotropic and lyotropic phases. Six different glycolipids have been synthesized using three steps process and their structures have been characterized by 1H-NMR and 13C-NMR in acetylated and deacytelated forms. Their liquid crystals properties were studied using optical polarising microscopy (OPM) and differential scanning calorimetry (DSC). The effect of α-methylated tails is comparedwith those of the straight chain glycolipids. The epimeric effect of the hydroxyl group at the C-4 of the sugar group was also commented.

  4. Multiple Colors Output on Voile through 3D Colloidal Crystals with Robust Mechanical Properties.

    Science.gov (United States)

    Meng, Yao; Tang, Bingtao; Ju, Benzhi; Wu, Suli; Zhang, Shufen

    2017-01-25

    Distinguished from the chromatic mechanism of dyes and pigments, structural color is derived from physical interactions of visible light with structures that are periodic at the scale of the wavelength of light. Using colloidal crystals with coloring functions for fabrics has resulted in significant improvements compared with chemical colors because the structural color from colloidal crystals bears many unique and fascinating optical properties, such as vivid iridescence and nonphotobleaching. However, the poor mechanical performance of the structural color films cannot meet actual requirements because of the weak point contact of colloidal crystal particles. Herein, we demonstrate in this study the patterning on voile fabrics with high mechanical strength on account of the periodic array lock effect of polymers, and multiple structural color output was simultaneously achieved by a simple two-phase self-assembly method for printing voile fabrics with 3D colloidal crystals. The colored voile fabrics exhibit high color saturation, good mechanical stability, and multiple-color patterns printable. In addition, colloidal crystals are promising potential substitutes for organic dyes and pigments because colloidal crystals are environmentally friendly.

  5. Crystal growth and properties of NLO optical crystal - Butylated Hydroxy Toluene (BHT)

    Science.gov (United States)

    Raja, R.; Seshadri, S.; Gnanasambandan, T.; Saravanan, R. R.

    2015-03-01

    Crystallographic, experimental and theoretical density functional theory (DFT) of Butylated Hydroxy Toluene (BHT) are investigated. The grown crystals were identified by single crystal X-ray analysis. The first order hyperpolarizability (β0) and related properties (β, α0 and Δα) of BHT is calculated using B3LYP/6-31G(d,p) method on the finite-field approach. The stability of molecule has been analyzed by using NBO/NLMO analysis. The molecular electrostatic potential (MESP) mapping is very useful in the investigation of the molecular structure with its physiochemical property relationship. The calculated HOMO and LUMO energies show that charge transfer occurs within these molecules. Mulliken population analysis on atomic charge is also calculated. Because of vibrational analysis, the thermodynamic properties of the title compound at different temperatures have been calculated. Finally, the UV-Vis spectra and electronic absorption properties are explained and illustrated from the frontier molecular orbitals. The grown crystals were characterized by measuring their thermal properties by Differential Thermal Analysis (DTA) and Thermo Gravimetric Analysis (TGA) measurements.

  6. Dispersion Properties in Total Internal Reflective Photonic Crystal Fiber

    Institute of Scientific and Technical Information of China (English)

    WEN Hua; HAO Dong-shan

    2004-01-01

    The dispersion properties in the short wavelength region of total internal reflective photonic crystal fiber have been studied by using the models of the equivalent twin waveguide soliton coupling,effective refractive index, effective normalized frequency and dispersion management solitons. It is shown that the dispersion in the cladding waveguide of the total internal reflective photonic crystal fiber is a positive dispersion,and the dispersion of its core waveguide is a negative dispersion. The method of the compensated probing laser diffraction by the phase hole induced by the stationary pumping laser in the cladding waveguide enables the average dispersion value of the total internal reflective photonic crystal fiber to be close to zero and the zero dispersion point to shift to the short wavelength region.

  7. Scintillation properties of TGG and TSAG crystals for imaging applications

    Science.gov (United States)

    Yanagida, Takayuki; Okada, Go; Kojima, Takahiro; Hayashi, Takeshi; Ushizawa, Jisaburou; Kawano, Naoki; Kawaguchi, Noriaki

    2017-08-01

    Optical and scintillation properties of TGG (Tb3Ga5O12) and TSAG (Tb3Sc2Al3O12) crystals were investigated, and capabilities to be used as a scintillator screen were demonstrated. In photoluminescence (PL) spectra, some emission lines due to Tb3+4f-4f transitions appeared from 500 to 700 nm. PL quantum yields of TGG and TSAG were 6.5% and 50.9%, respectively. When irradiated by X-rays, these crystals showed intense scintillation, and the emission wavelengths were the same as those in PL spectra. The scintillation decay times of TGG and TSAG were 94 and 678 μs, respectively. Further, we have demonstrated X-ray imaging using both TSGG and TSAG crystal plates and confirmed a capability as scintillator screens.

  8. Resonant magnetic properties of gadolinium-gallium garnet single crystals

    Science.gov (United States)

    Bedyukh, A. R.; Danilov, V. V.; Nechiporuk, A. Yu.; Romanyuk, V. F.

    1999-03-01

    The results of experimental investigations of resonant magnetic properties of gadolinium-gallium garnet (GGG) single crystals at temperatures 4.2-300 K in the frequency range 1.6-9.3 GHz are considered. It is found that magnetic losses in GGG are determined by the initial splitting of energy levels for gadolinium ions in the garnet crystal lattice and by the dipole broadening. The width and shape of the electron paramagnetic resonance (EPR) line in the GGG crystal, whose asymmetry is manifested most strongly at low frequencies, can be explained by the influence of these factors. Magnetic losses in GGG increase with frequency and upon cooling. It is found that the EPR linewidth increases considerably with decreasing temperature due to the presence of rapidly relaxing impurities.

  9. Property Modelling for Applications in Chemical Product and Process Design

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    Physical-chemical properties of pure chemicals and their mixtures play an important role in the design of chemicals based products and the processes that manufacture them. Although, the use of experimental data in design and analysis of chemicals based products and their processes is desirable...... such as database, property model library, model parameter regression, and, property-model based product-process design will be presented. The database contains pure component and mixture data for a wide range of organic chemicals. The property models are based on the combined group contribution and atom......, polymers, mixtures as well as separation processes. The presentation will highlight the framework (ICAS software) for property modeling, the property models and issues such as prediction accuracy, flexibility, maintenance and updating of the database. Also, application issues related to the use of property...

  10. Crystallization and its effect on the mechanical properties of a medium chain length polyhydroxyalkanoate.

    Science.gov (United States)

    Larrañaga, A; Fernández, J; Vega, A; Etxeberria, A; Ronchel, C; Adrio, J L; Sarasua, J R

    2014-11-01

    Medium chain length polyhydroxyalkanoates (mcl-PHAs) could play a role in the growing demand for highly elastic and biodegradable materials in the medical field. In this study, a poly(3-hydroxyoctanoate-co-3-hydroxyhexanoate) (P(3HO-co-3HH)) was first fully characterized in terms of molecular weight, microstructural chain parameters and chemical structure by means of gel permeation chromatography (GPC), nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR). As determined by NMR, the synthesized polymer contained 94.3% and 5.7% molar content of 3-hydroxyoctanoate and 3-hydroxyhexanoate, respectively. Since mechanical properties are closely related to thermal history, the effect of crystallization on tensile properties was also investigated in the present study. Three crystallization temperatures were selected (0, 23 and 37°C), the conclusion reached is that the maximum crystallization rate for this copolymer was achieved at 0°C. On the other hand, evolution of tensile properties of P(3HO-co-3HH) films stored at room temperature demonstrated that, as crystallization occurred toward the equilibrium state, the polymer underwent a stiffening process. In this sense, secant modulus and tensile strength increased respectively from 8.3 ± 1.0 MPa and 6.4 ± 0.8 MPa after 1 day stored at room temperature to 36.2 ± 3.3 MPa and 16.3 ± 2.1 MPa after 16 weeks.

  11. Physico-chemical surface properties of microalgae.

    Science.gov (United States)

    Ozkan, Altan; Berberoglu, Halil

    2013-12-01

    This study reports a comprehensive set of experimentally measured physico-chemical surface properties of 12 different microalgae including fresh and seawater species of green algae, diatoms and cyanobacteria. The surface free energy and its components including the acid-base (AB), van der Waals (LW), electron donor/acceptor parameters were quantified based on contact angle measurements along with the Lifshitz-van der Waals acid-base approach using the probe liquid surface tension parameters proposed by van Oss et al. as well as by Della Volpe and Siboni. Moreover, the zeta and surface potentials of all species were determined using electrophoretic mobility measurements along with using Smoluchowski's model. Finally, the free energy of cohesion of the microalgae was also determined based on the calculated surface energy properties. The results showed that the electron donor parameter correlated well with the free energy of cohesion in all groups of microalgae. Moreover, species known to form colonies and exhibit benthic cultures had distinctly hydrophobic surfaces compared to microalgae prefering planktonic growth. These results indicate the importance of surface hydrophobicity for causing biofouiling or flocculation of cultures. Finally, the zeta potentials did not show a distinctive trend with the types of microalgae but the surface potentials were markedly larger for the salt water species. The reported methods and data are expected to provide critical information for researchers and technology developers concerned with cell to cell and cell to substrata interactions of microalgae in algal biomass cultivation and harvesting, biofouling of membranes and surfaces, as well as cell-surface interactions in photosynthetic microbial fuel cell technologies.

  12. Magnetorheological finishing with chemically modified fluids for studying material removal of single-crystal ZnS

    Science.gov (United States)

    Salzman, S.; Romanofsky, H. J.; Clara, Y. I.; Giannechini, L. J.; West, Garrett J.; Lambropoulos, J. C.; Jacobs, S. D.

    2013-09-01

    Magnetorheological finishing (MRF) of polycrystalline, chemical-vapor-deposited (CVD) zinc sulfide (ZnS) and zinc selenide (ZnSe) can leave millimeter-size artifacts on the part surface. These pebble-like features come from the anisotropic mechanical and chemical properties of the ceramic material and from the CVD growth process itself. The resulting surface texture limits the use of MRF for polishing aspheric and other complex shapes using these important infrared (IR) ceramics. An investigation of the individual contributions of chemistry and mechanics to polishing of other polycrystalline ceramics has been employed in the past to overcome similar material anisotropy problems. The approach taken was to study the removal process for the different single-crystal orientations that comprise the ceramic, making adjustments to mechanics (polishing abrasive type and concentration) and polishing slurry chemistry (primarily pH) to equalize the removal rate for all crystal orientations. Polishing with the modified slurry was shown to prevent the development of surface texture. Here we present mechanical (microhardness testing) and chemical (acid etching) studies performed on the four single-crystal orientations of ZnS: 100, 110, 111, and 311. We found that the (111) plane is 35% to 55% harder and 30% to 40% more resistant to chemical etching than the other three planes. This relatively high degree of variation in these properties can help to explain the surface texture developed from MRF of the polycrystalline material. Theoretical calculations of microhardness, planar, and bond densities are presented and compared with the experimental data. Here surface characterization of these single-crystal orientations of ZnS for material removal and roughness with chemically modified MR fluids at various pH levels between pH 4 and pH 6 are presented for the first time.

  13. Comparison of ab initio molecular properties of EDO-TTF with the properties of the (EDO-TTF)(2)PF6 crystal

    NARCIS (Netherlands)

    Linker, Gerrit-Jan; van Loosdrecht, Paul H. M.; van Duijnen, Piet; Broer, Ria

    2010-01-01

    We performed ab initio quantum chemical calculations for the geometrical and electronic structure of the EDO-TTF (ethylenedioxy-tetrathiafulvalene) molecule using HF, CASSCF and DFT methods. We compare these in vacuo results with the properties of the (EDO-TTF)(2)PF6 crystal at near room temperature

  14. The thermal physical properties and structure of In-In2Bi eutectic at melting-crystallization process

    Directory of Open Access Journals (Sweden)

    V. Prokhorenko

    2007-04-01

    Full Text Available The physical properties of In-In2Bi liquid eutectic alloy as well as structure has been studied at different temperature. Structure data are used for calculation of configuration entropy. The change of structure upon melting is analyzed in comparison with change chemical bonding. The data on acoustic emission studies at meting and crystallization processes are analyzed too.

  15. Magnetization and electric transport properties of single-crystal MgB2 nanowires.

    Science.gov (United States)

    Wu, Cen-Shawn; Chang, Yu-Cheng; Chen, Weimeng; Chen, Chinping; Feng, Qingrong

    2012-11-23

    High quality single-crystal magnesium diboride (MgB(2)) nanowires with lengths exceeding 10 μm were successfully synthesized by hybrid physical chemical vapor deposition. The magnetization and electrical transport properties of single-crystal MgB(2) nanowires (NWs) were measured. The superconducting transition temperature of the NWs was 37 K, as confirmed by magnetization measurements. The disordered behavior of the nanowires was observed by four-terminal current-voltage characteristic measurements of an individual NW from T = 10 to 300 K. The temperature-dependent resistivity curves for seven NWs collapsed into a universal curve described by the variable range hopping model, showing intrinsic nonmetallic transport properties. This implies that the granular superconducting defect states are critical to the superconductivity of the individual MgB(2) NWs.

  16. Effects of crystallization and bubble nucleation on the seismic properties of magmas

    Science.gov (United States)

    Tripoli, Barbara Andrea; Cordonnier, Benoit; Zappone, Alba; Ulmer, Peter

    2016-02-01

    Seismic tomography of potentially hazardous volcanoes is a prime tool to assess the location and dimensions of magmatic reservoirs. Seismic velocities are strongly affected by processes occurring within the conduit or in the magma chamber, such as crystallization and bubble exsolution. However, the limited number of constrained measurements does not allow yet to link seismic tomography and the textural state of a particular volcanic system. In this study, we investigated a chemically simplified melt in the system CaO-Na2O-Al2O3-SiO2-H2O-CO2, which undergoes plagioclase crystallization and bubble exsolution. A Paterson-type internally heated gas pressure apparatus was employed to measure ultrasonic velocities at a constant pressure of 250 MPa and at temperature from 850 to 700°C. Magmatic processes such as crystallization, bubble nucleation, and coalescence have been recognized throughout the measurements of seismic velocities in the laboratory. Compression and shear wave velocities increase nonlinearly during crystallization. At a crystal fraction exceeding 0.45, the formation of a crystal network favors the propagation of seismic waves through magmatic liquids. However, bubble nucleation induced by crystallization leads to an increase of magma compressibility resulting in a lowering of the wave propagation velocities. These two processes occur simultaneously and have a competing influence on the seismic properties of magmas. In addition, as already observed by previous authors, when the bubble fraction is less than 0.10, the decrease in seismic velocities is more pronounced than for higher bubble fractions. The effect of bubble coalescence on elastic properties is thus lower than the effect of bubble nucleation.

  17. Sublimation process and physical properties of vapor grown γ-In2Se3 platelet crystals

    Science.gov (United States)

    Ajayakumar, C. J.; Kunjomana, A. G.

    2016-11-01

    Indium selenide (γ-In2Se3) crystals have been grown by the closed tube sublimation process in the absence of seed crystals and chemical transporting agents. The composition, structure and morphology of the samples grown under different vacuum conditions were examined by energy dispersive analysis, X-ray diffraction, and scanning electron microscope. Structural features of the crystals obtained in a vacuum of 10-3 mbar exhibited a few reflections not belonging to γ phase, whereas X-ray diffraction spectra of the crystals deposited under a vacuum of 10-6 mbar revealed evidence of sharp peaks with high intensities of γ-In2Se3 crystalline phase. When growth runs were performed for 72 h, voids were observed on the surface whereas for a duration of 120 h, platelet crystals were obtained. Optical properties of these samples were investigated using the FT-IR and photoluminescence spectroscopy. The average transmittance of the platelets in the visible and near infrared region of solar spectrum was found to be ∼81% and an optical band gap of ∼2.05 eV was computed from the transmission spectrum. Photoluminescence spectra of the grown In2Se3 crystals recorded at room temperature using an excitation laser of wavelength 355 nm showed a peak in the near band edge emission (NBE) corresponding to an energy of 2.01 eV. Under an illumination power of 12 mW/cm2, the photocurrent increased linearly with applied voltage and the dark current was found to be 2.5×10-9 A for 10 V. These results suggest that the as-grown γ-In2Se3 platelets crystallized from vapor deposition, possess superior optoelectronic properties than the other phases for solar cell applications.

  18. Experimental setup for rapid crystallization using favoured chemical potential and hydrodynamic conditions

    Indian Academy of Sciences (India)

    V K Dixit; B V Rodrigues; H L Bhat

    2001-10-01

    The rapid crystallization of KH2PO4 (KDP) from solution is demonstrated at a rate up to ≈7.5 mm/day along [100] and 22 mm/day along [001] in a crystallizer of 5 l capacity, using accelerated crucible rotation technique (ACRT) and simulated platform geometry for controlling the hydrodynamic conditions. On an experimental basis we have grown the crystals up to 40 × 43 × 66 mm3 size in about 3 days. Comparative analysis of the main structural and optical properties of crystals grown by conventional and rapid crystallization technique, is discussed.

  19. Antisolvent crystallization of a cardiotonic drug in ionic liquids: Effect of mixing on the crystal properties

    Science.gov (United States)

    de Azevedo Jacqueline, Resende; Fabienne, Espitalier; Jean-Jacques, Letourneau; Inês, Ré Maria

    2017-08-01

    LASSBio-294 (3,4-methylenedioxybenzoyl-2-thienylhydrazon) is a poorly soluble drug which has been proposed to have major advantages over other cardiotonic drugs. Poorly water soluble drugs present limited bioavailability due to their low solubility and dissolution rate. An antisolvent crystallization processing can improve the dissolution rate by decreasing the crystals particle size. However, LASSBio-294 is also poorly soluble in organic solvents and this operation is limited. In order to open new perspectives to improve dissolution rate, this work has investigated LASSBio-294 in terms of its antisolvent crystallization in 1-ethyl-3-methylimidazolium methyl phosphonate [emim][CH3O(H)PO2] as solvent and water as antisolvent. Two modes of mixing are tested in stirred vessel with different pre-mixers (Roughton or T-mixers) in order to investigate the mixing effect on the crystal properties (crystalline structure, particle size distribution, residual solvent and in vitro dissolution rate). Smaller drug particles with unchanged crystalline structure were obtained. Despite the decrease of the elementary particles size, the recrystallized particles did not achieve a better dissolution profile. However, this study was able to highlight a certain number of findings such as the impact of the hydrodynamic conditions on the crystals formation and the presence of a gel phase limiting the dissolution rate.

  20. Growth morphologies and optical properties of LTA single crystal.

    Science.gov (United States)

    Liu, Xiaojing; Ren, Miaojuan; Chen, Gang; Wang, Peiji

    2013-12-01

    Atomic force microscopy (AFM) has been used to study the growth morphologies of l-threonine acetate (abbreviated as LTA) crystal. Spiral growth hillocks and typical step patterns are described and discussed. Nuclei with various shapes often distribute at the larger step terraces. Eventually, in order to investigate microscopic second order nonlinear optical properties of LTA crystals, the molecular dipole moment (μ), polarizability (α), and first hyperpolarizability (β) were computed using a series of basis sets including polarized and diffuse functions at the framework of Hartree-Fock and density functional theory methods. The study is helpful to the further development of l-threonine analogs with improved nonlinear optical properties. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. Asymmetric flavone-based liquid crystals: synthesis and properties

    Energy Technology Data Exchange (ETDEWEB)

    Timmons, Daren J. [Department of Chemistry, Virginia Military Institute, Lexington, VA, USA; Jordan, Abraham J. [Department of Chemistry, Virginia Military Institute, Lexington, VA, USA; Kirchon, Angelo A. [Department of Chemistry, Virginia Military Institute, Lexington, VA, USA; Murthy, N. Sanjeeva [New Jersey Center for Biomaterials, Rutgers, The State University of New Jersey, Piscataway, NJ, USA; Siemers, Troy J. [Department of Applied Mathematics, Virginia Military Institute, Lexington, VA, USA; Harrison, Daniel P. [Department of Chemistry, Virginia Military Institute, Lexington, VA, USA; Slebodnick, Carla [Department of Chemistry, Virginia Polytechnic Institute and State University, Blacksburg, VA, USA

    2017-02-01

    A series of flavones (n-F) substituted at the 4', and 6 positions was prepared, characterised by NMR (1H,13C), HRMS, and studied for liquid crystal properties. The 4'-alkoxy,6-methoxyflavones (4-F–16-F) exhibit varying ranges of nematic and smectic A phases as evidenced by polarised optical microscopy and differential scanning calorimetry (DSC). As the tail length is increased, the smectic phase becomes more prevalent. Smectic phases for (8-F–16-F) were further analysed by powder X-ray diffraction (XRD), and the rate of structural transformations was explored by combined DSC/XRD studies. Flavonol 6-F–OH was also prepared but no mesogenic behaviour was observed. The molecular structures of 6-F and 6-F–OH were determined by single-crystal XRD and help to explain the differences in material properties. Additionally, fluorescence and electrochemical studies were conducted on solutions of n-F.

  2. Growth of large size diamond single crystals by plasma assisted chemical vapour deposition: Recent achievements and remaining challenges

    Science.gov (United States)

    Tallaire, Alexandre; Achard, Jocelyn; Silva, François; Brinza, Ovidiu; Gicquel, Alix

    2013-02-01

    Diamond is a material with outstanding properties making it particularly suited for high added-value applications such as optical windows, power electronics, radiation detection, quantum information, bio-sensing and many others. Tremendous progresses in its synthesis by microwave plasma assisted chemical vapour deposition have allowed obtaining single crystal optical-grade material with thicknesses of up to a few millimetres. However the requirements in terms of size, purity and crystalline quality are getting more and more difficult to achieve with respect to the forecasted applications, thus pushing the synthesis method to its scientific and technological limits. In this paper, after a short description of the operating principles of the growth technique, the challenges of increasing crystal dimensions both laterally and vertically, decreasing and controlling point and extended defects as well as modulating crystal conductivity by an efficient doping will be detailed before offering some insights into ways to overcome them.

  3. Optical Properties of Small Ice Crystals with Black Carbon Inclusions

    Science.gov (United States)

    Yang, X.; Geier, M.; Arienti, M.

    2013-12-01

    The optical properties of ice crystals play a fundamental role in modeling atmospheric radiation and hydrological cycle, which are critical in monitoring climate change. While Black Carbon (BC) is recognized as the dominant absorber with positive radiative forcing (warming) (Ramanathan & Carmichael, 2008), in-situ observations (Cappa, et al, 2012) indicate that the characterization of the mixing state of BC with ice crystals and other non-BC particles in global climate models (Ghan & Schwartz, 2007) needs further investigation. The limitation in the available mixing models is due to the drastically different absorbing properties of BC compared to other aerosols. We explore the scattering properties of ice crystals (in shapes commonly found in cirrus clouds and contrails - Yang, et al. 2012) with the inclusion of BC particles. The Discrete Dipole Approximation (DDA) (Yurkin & Hoekstra, 2011) is utilized to directly calculate the optical properties of the crystals with multiple BC inclusions, modeled as a distribution of spheres. The results are then compared with the most popular models of internal and external mixing (Liou, et al. 2011). The DDA calculations are carried out over a broad range of BC particle sizes and volume fractions within the crystal at the 532 nm wavelength and for ice crystals smaller than 50 μm. The computationally intensive database generated in this study is critical for understanding the effect of different types of BC inclusions on the atmosphere radiative forcing. Examples will be discussed to illustrate the modification of BC optical properties by encapsulation in ice crystals and how the parameterization of the BC mixing state in global climate models can be improved. Acknowledgements Support by Sandia National Laboratories' LDRD (Laboratory Directed Research and Development) is gratefully acknowledged. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of

  4. Physical properties of crystals their representation by tensors and matrices

    CERN Document Server

    Nye, J F

    1985-01-01

    First published in 1957, this classic study has been reissued in a paperback version that includes an additional chapter bringing the material up to date. The author formulates the physical properties of crystals systematically in tensor notation, presenting tensor properties in terms of their common mathematical basis and the thermodynamic relations between them. The mathematical groundwork is laid in a discussion of tensors of the first and second ranks. Tensors of higher ranks and matrix methods are then introduced as natural developments of the theory. A similar pattern is followed in discussing thermodynamic and optical aspects.

  5. Fluorescence properties of photonic crystals doped with perylenediimide.

    Science.gov (United States)

    Diacon, Aurel; Rusen, Edina; Mocanu, Alexandra; Hudhomme, Piétrick; Cincu, Corneliu

    2011-06-21

    This study aims to present the fabrication of colloidal photonic crystals (PC) with increased fluorescence properties. The use of a highly fluorescent perylenediimide derivate (PDI) during the soap-free emulsion polymerization of styrene-acrylic acid resulted in monodisperse core-shell particles which allowed the fabrication of PC films. The properties of the hybrid material were studied in comparison with hybrid materials obtained by impregnation of films with chromophore solutions. In both cases an increase of the fluorescence response was observed in addition to a blue shift for the PDI core particles, proving the incorporation of the dye inside the copolymer particles.

  6. The chemical and environmental property space of REACH chemicals.

    Science.gov (United States)

    Öberg, Tomas; Iqbal, M Sarfraz

    2012-05-01

    The European regulation on chemicals, REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals), came into force on 1 June 2007. With pre-registration complete in 2008, data for these substances may provide an overview of the expected chemical space and its characteristics. In this paper, using various in silico computation tools, we evaluate 48782 neutral organic compounds from the list to identify hazardous and safe compounds. Two different classification schemes (modified Verhaar and ECOSAR) identified between 17% and 25% of the compounds as expressing only baseline toxicity (narcosis). A smaller portion could be identified as reactive (19%) or specifically acting (2.7%), while the majority were non-assigned (61%). Overall environmental persistence, bioaccumulation and long-range transport potential were evaluated using structure-activity relationships and a multimedia fugacity-based model. A surprisingly high proportion of compounds (20%), mainly aromatic and halogenated, had a very high estimated persistence (>195 d). The proportion of compounds with a very high estimated bioconcentration or bioaccumulation factor (>5000) was substantially less (6.9%). Finally, a list was compiled of those compounds within the applicability domain of the models used, meeting both persistence and bioaccumulation criteria, and with a long-range transport potential comparable to PCB. This list of 68 potential persistent organic pollutants contained many well-known compounds (all halogenated), but notably also five fluorinated compounds that were not included in the EINECS inventory. This study demonstrates the usability of in silico tools for identification of potentially environmentally hazardous chemicals.

  7. Enhancement of heat transfer in Czochralski growth of silicon crystals with a chemical cooling technique

    Science.gov (United States)

    Ding, Junling; Liu, Lijun; Zhao, Wenhan

    2017-06-01

    The cost of producing single-crystalline silicon with the Czochralski method can be reduced by promoting the crystal size and/or crystal pulling rate. However, more latent heat of solidification needs to be released from the melt-crystal (m-c) interface during the crystal growth process. In this study, the C-CO2 chemical endothermic reaction is proposed as a novel and efficient cooling technique to solve this problem. Compared with the conventional gas cooling method, C-CO2 endothermic reaction method can significantly enhance the heat transfer in the crystal at the m-c interface. It was found that the heat transfer is more enhanced with a chemical reaction of smaller activation energy, and the m-c interface becomes flatter. The influence of the carbon concentration in the chemical reactive gas flow on the heat removal in the crystal at the m-c interface is also investigated. The cooling effect is significantly increased with the increase in the carbon concentration when it is small. However, when the carbon concentration in the reactive gas is high, the cooling effect just increases slightly. The research demonstrates that the proposed chemical endothermic reaction is a promising cooling technique to be applied in CZ-Si crystal growth with large size/high pulling rate.

  8. A Flexible Parameterization for Shortwave Optical Properties of Ice Crystals

    Science.gov (United States)

    VanDiedenhoven, Bastiaan; Ackerman, Andrew S.; Cairns, Brian; Fridlind, Ann M.

    2014-01-01

    A parameterization is presented that provides extinction cross section sigma (sub e), single-scattering albedo omega, and asymmetry parameter (g) of ice crystals for any combination of volume, projected area, aspect ratio, and crystal distortion at any wavelength in the shortwave. Similar to previous parameterizations, the scheme makes use of geometric optics approximations and the observation that optical properties of complex, aggregated ice crystals can be well approximated by those of single hexagonal crystals with varying size, aspect ratio, and distortion levels. In the standard geometric optics implementation used here, sigma (sub e) is always twice the particle projected area. It is shown that omega is largely determined by the newly defined absorption size parameter and the particle aspect ratio. These dependences are parameterized using a combination of exponential, lognormal, and polynomial functions. The variation of (g) with aspect ratio and crystal distortion is parameterized for one reference wavelength using a combination of several polynomials. The dependences of g on refractive index and omega are investigated and factors are determined to scale the parameterized (g) to provide values appropriate for other wavelengths. The parameterization scheme consists of only 88 coefficients. The scheme is tested for a large variety of hexagonal crystals in several wavelength bands from 0.2 to 4 micron, revealing absolute differences with reference calculations of omega and (g) that are both generally below 0.015. Over a large variety of cloud conditions, the resulting root-mean-squared differences with reference calculations of cloud reflectance, transmittance, and absorptance are 1.4%, 1.1%, and 3.4%, respectively. Some practical applications of the parameterization in atmospheric models are highlighted.

  9. Visualizing the enhanced chemical reactivity of mesoporous ceria; simulating templated crystallization in silica scaffolds at the atomic level.

    Science.gov (United States)

    Sayle, Thi X T; Sayle, Dean C

    2014-03-12

    Unique physical, chemical, and mechanical properties can be engineered into functional nanomaterials via structural control. However, as the hierarchical structural complexity of a nanomaterial increases, so do the challenges associated with generating atomistic models, which are sufficiently realistic that they can be interrogated to reliably predict properties and processes. The structural complexity of a functional nanomaterial necessarily emanates during synthesis. Accordingly, to capture such complexity, we have simulated each step in the synthetic protocol. Specifically, atomistic models of mesoporous ceria were generated by simulating the infusion and confined crystallization of ceria in a mesoporous silica scaffold. After removing the scaffold, the chemical reactivity of the templated mesoporous ceria was calculated and predicted to be more reactive compared to mesoporous ceria generated without template; visual "reactivity fingerprints" are presented. The strategy affords a general method for generating atomistic models, with hierarchical structural complexity, which can be used to predict a variety of properties and processes enabling the nanoscale design of functional materials.

  10. An Experiment with Manifold Purposes: The Chemical Reactivity of Crystal Defects upon Crystal Dissolution.

    Science.gov (United States)

    Lazzarini, Annaluisa Fantola; Lazzarini, Ennio

    1983-01-01

    Background information and procedures are provided for an experiment designed to introduce (1) crystal defects and their reactivity upon crystal dissolution; (2) hydrates electron and its reactivity; (3) application of radiochemical method of analysis; and (4) the technique of competitive kinetics. Suggested readings and additional experiments are…

  11. Crystal Orientation Controlled Photovoltaic Properties of Multilayer GaAs Nanowire Arrays.

    Science.gov (United States)

    Han, Ning; Yang, Zai-Xing; Wang, Fengyun; Yip, SenPo; Li, Dapan; Hung, Tak Fu; Chen, Yunfa; Ho, Johnny C

    2016-06-28

    In recent years, despite significant progress in the synthesis, characterization, and integration of various nanowire (NW) material systems, crystal orientation controlled NW growth as well as real-time assessment of their growth-structure-property relationships still presents one of the major challenges in deploying NWs for practical large-scale applications. In this study, we propose, design, and develop a multilayer NW printing scheme for the determination of crystal orientation controlled photovoltaic properties of parallel GaAs NW arrays. By tuning the catalyst thickness and nucleation and growth temperatures in the two-step chemical vapor deposition, crystalline GaAs NWs with uniform, pure ⟨110⟩ and ⟨111⟩ orientations and other mixture ratios can be successfully prepared. Employing lift-off resists, three-layer NW parallel arrays can be easily attained for X-ray diffraction in order to evaluate their growth orientation along with the fabrication of NW parallel array based Schottky photovoltaic devices for the subsequent performance assessment. Notably, the open-circuit voltage of purely ⟨111⟩-oriented NW arrayed cells is far higher than that of ⟨110⟩-oriented NW arrayed counterparts, which can be interpreted by the different surface Fermi level pinning that exists on various NW crystal surface planes due to the different As dangling bond densities. All this indicates the profound effect of NW crystal orientation on physical and chemical properties of GaAs NWs, suggesting the careful NW design considerations for achieving optimal photovoltaic performances. The approach presented here could also serve as a versatile and powerful platform for in situ characterization of other NW materials.

  12. Measurements along the growth direction of PMN-PT crystals: dielectric, piezoelectric, and elastic properties.

    Science.gov (United States)

    Tian, Jian; Han, Pengdi; Payne, David A

    2007-09-01

    Property measurements are reported for Pb(Mg1/3Nb2/3)03-PbTiO3 (PMN-PT) single crystals grown along (001) by a seeded-melt method. Chemical segregation occurs during crystal growth, leading to property changes along the growth direction. Variations in dielectric, piezoelectric, and elastic properties were evaluated for specimens selected from the crystals. Room-temperature data are correlated with Tc and composition that ranged from 27 to 32% PT, i.e., in the vicinity of the morphotropic phase boundary (MPB). While there was little change in the high electromechanical coupling factor k33 (0.87-0.92), both the piezoelectric charge coefficient d33 (1100-1800 pC/N) and the free dielectric constant K3 (4400-7000) were found to vary significantly with position. Increases in d33 and KT33 were relatively offsetting in that the ratio yielded a relatively stable piezoelectric voltage coefficient g33 (27-31 x 10(-3) Vm/N). Values are also reported for the elastic compliance (3.3-6.3 x 10(-11) m2/N) determined from resonance measurements. Enhancements in d33 and K(T)33 were associated with lattice softening (increasing sE33) as the composition approached the MPB. Details are reported for the piezoelectric, dielectric, and elastic properties as a function of growth direction, Tc, and composition. The results are useful for an understanding of properties in PMN-PT crystals and for the design of piezoelectric devices.

  13. Predicting Molecular Crystal Properties from First Principles: Finite-Temperature Thermochemistry to NMR Crystallography.

    Science.gov (United States)

    Beran, Gregory J O; Hartman, Joshua D; Heit, Yonaton N

    2016-11-15

    Molecular crystals occur widely in pharmaceuticals, foods, explosives, organic semiconductors, and many other applications. Thanks to substantial progress in electronic structure modeling of molecular crystals, attention is now shifting from basic crystal structure prediction and lattice energy modeling toward the accurate prediction of experimentally observable properties at finite temperatures and pressures. This Account discusses how fragment-based electronic structure methods can be used to model a variety of experimentally relevant molecular crystal properties. First, it describes the coupling of fragment electronic structure models with quasi-harmonic techniques for modeling the thermal expansion of molecular crystals, and what effects this expansion has on thermochemical and mechanical properties. Excellent agreement with experiment is demonstrated for the molar volume, sublimation enthalpy, entropy, and free energy, and the bulk modulus of phase I carbon dioxide when large basis second-order Møller-Plesset perturbation theory (MP2) or coupled cluster theories (CCSD(T)) are used. In addition, physical insight is offered into how neglect of thermal expansion affects these properties. Zero-point vibrational motion leads to an appreciable expansion in the molar volume; in carbon dioxide, it accounts for around 30% of the overall volume expansion between the electronic structure energy minimum and the molar volume at the sublimation point. In addition, because thermal expansion typically weakens the intermolecular interactions, neglecting thermal expansion artificially stabilizes the solid and causes the sublimation enthalpy to be too large at higher temperatures. Thermal expansion also frequently weakens the lower-frequency lattice phonon modes; neglecting thermal expansion causes the entropy of sublimation to be overestimated. Interestingly, the sublimation free energy is less significantly affected by neglecting thermal expansion because the systematic

  14. Thermodynamic properties of a liquid crystal carbosilane dendrimer

    Science.gov (United States)

    Samosudova, Ya. S.; Markin, A. V.; Smirnova, N. N.; Ogurtsov, T. G.; Boiko, N. I.; Shibaev, V. P.

    2016-11-01

    The temperature dependence of the heat capacity of a first-generation liquid crystal carbosilane dendrimer with methoxyphenyl benzoate end groups is studied for the first time in the region of 6-370 K by means of precision adiabatic vacuum calorimetry. Physical transformations are observed in this interval of temperatures, and their standard thermodynamic characteristics are determined and discussed. Standard thermodynamic functions C p ° ( T), H°( T) - H°(0), S°( T) - S°(0), and G°( T) - H°(0) are calculated from the obtained experimental data for the region of T → 0 to 370 K. The standard entropy of formation of the dendrimer in the partially crystalline state at T = 298.15 K is calculated, and the standard entropy of the hypothetic reaction of its synthesis at this temperature is estimated. The thermodynamic properties of the studied dendrimer are compared to those of second- and fourth-generation liquid crystal carbosilane dendrimers with the same end groups studied earlier.

  15. Rheological Properties of T-Shaped Liquid Crystals

    Science.gov (United States)

    Diorio, Nicholas; Bailey, Christopher; Tschierske, Carsten; Jákli, Antal

    2009-03-01

    The rheological properties of ``T-shaped'' liquid crystal molecules are investigated. These T-shaped molecules show novel liquid crystal phases with a variety of lamellar and columnar structures [1,2,3]. We examined the viscoelastic behavior of these materials over varying temperatures and shear rates. Because of the limited quantities of these materials, a home- made nanoliter rheometer [4] is used that only requires a few nanoliters of material. [1] M. Prehm, X.H. Cheng, S. Diele, M. K. Das, and C. Tschierske; J. AM. CHEM. SOC. 2002, 124, 12072-12073 [2] X.Cheng, M. K. Das, U. Baumeister, S. Diele, and C. Tschierske; J. AM. CHEM. SOC. 2004, 126, 12930-12940 [3] M. Prehm, F. Liu, U. Baumeister, X. Zeng, G. Ungar, and C. Tschierske; Angew. Chem. Int. Ed. 2007, 46, 7972 -7975 [4] C. Bailey, A. J'akli, ``Broad range nanoliter rheometer'', Provisional patent , KSU 325 (2008)

  16. Electrical conductivity and dielectric properties of potassium sulfamate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A.S.; Iype, L.; Rajesh, R. [School of Pure and Applied Physics, Mahatma Gandhi University, Kottayam (India); Varughese, G. [Department of Physics, Catholicate College, Pathanamthitta, Kerala (India); Joseph, G. [Department of Physics, Sacred Heart College, Thevera, Cochin, Kerala (India); Louis, G. [Department of Physics, Cochin University of Science and Technology, Cochin (India)

    2011-10-15

    Single crystals of potassium sulfamate are grown by the method of slow evaporation at constant temperature. AC electrical conductivity of potassium sulfamate is measured in the temperature range 300-430 K and in the frequency region between 100 Hz and 3 MHz along the a, b and c-axes. Complex impedance spectroscopy is used to investigate the frequency response of the electrical properties of the potassium sulfamate single crystal. Temperature variation of AC conductivity and dielectric measurements show a slope change around 345 K for both heating and cooling run and this anomaly is attributed as phase transition, which is well supported by the DSC measurements. Value of loss tangent in the temperature region 330-400 K is found to be very low. Activation energies for the conduction process are calculated along the a, b and c-axes. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Physical properties of CuAlO 2 single crystal

    Science.gov (United States)

    Brahimi, R.; Bellal, B.; Bessekhouad, Y.; Bouguelia, A.; Trari, M.

    2008-09-01

    CuAlO 2 single crystal elaborated by the flux method is a narrow band gap semiconductor crystallizing in the delafossite structure (SG R3¯m). Oxygen insertion in the layered lattice generates p-type conductivity where most holes are trapped in surface-polaron states. The detailed photoelectrochemical characterization and electrochemical impedance spectroscopy (EIS) have been reported for the first time on the single crystal. The study is confined in the basal plan and reversible oxygen insertion is evidenced from the intensity potential characteristics. The oxide is characterized by an excellent chemical stability; the semi-logarithmic plot gave a corrosion potential of-0.82 V SCE and an exchange current density of 0.022 μA cm -2 in KCl (0.5 M) electrolyte. The capacitance measurement ( C-2- V) shows a linear behavior from which a flat band potential of +0.42 V SCE and a doping density NA of 10 16 cm -3 have been determined. The valence band, located at 5.24 eV (0.51 V SCE) below vacuum, is made up of Cu-3d orbital. The Nyquist plot exhibits a pseudo-semicircle whose center is localized below the real axis with an angle of 20°. This can be attributed to a single relaxation time of the electrical equivalent circuit and a constant phase element (CPE). The absence of straight line indicates that the process is under kinetic control.

  18. Hydrothermal Synthesis,Crystal Structure,Spectrum Properties and Quantum Chemical Calculation of a Trinuclear Copper(Ⅱ) Complex with 3-(Pyridin-2-yl)-1,2,4-triazole

    Institute of Scientific and Technical Information of China (English)

    LI Chang-Hong; LI Wei; LI Yu-Lin; YANG Ying-Qun

    2012-01-01

    A three-dimensional framework copper(Ⅱ) coordination polymer with copper carbonate basic and 3-(pyridin-2-yl)-1,2,4-triazole (Hpt) has been hydrothemally synthesized.The complex (2,C14 H10 CuN8 ·3H2 O) crystallizes in tetragonal,space group P4 2 /n,a=2.08581(12),b=2.08581(12),c=0.72331(4) nm,M r=761.73,V=3.1468(3) nm 3,Dc=1.608 g/cm 3,Z=4,F(000)=1552,GOOF=1.07,R=0.0515 and wR=0.1689.Every asymmetric unit molecular structure of the complex is composed with one copper ion,one and half water molecules and two Hpt molecules.Each copper ion is coordinated with five nitrogen atoms from four Hpt molecules,forming a distorted square pyramidal geometry.The fluorescence spectrum analysis shows that the title complex at room temperature exhibits intense photoluminescence with maximum emission at 450 nm.The quantum chemistry calculation study on the complex has been performed.The stability,some frontier molecular orbital energies and composition characteristics of some frontier molecular orbitals of the complex have been investigated.

  19. Studies on the growth, structural, spectral and third-order nonlinear optical properties of Ammonium 3-carboxy-4-hydroxy benzenesulfonate monohydrate single crystal

    Science.gov (United States)

    Silambarasan, A.; Krishna Kumar, M.; Thirunavukkarasu, A.; Mohan Kumar, R.; Umarani, P. R.

    2015-01-01

    An organic nonlinear optical bulk single crystal, Ammonium 3-carboxy-4-hydroxy benzenesulfonate monohydrate (ACHBS) was successfully grown by solution growth technique. Single crystal X-ray diffraction study confirms that, the grown crystal belongs to P21/c space group. Powder X-ray diffraction and high resolution X-ray diffraction analyses revealed the crystallinity of the grown crystal. Infrared spectral analysis showed the vibrational behavior of chemical bonds and its functional groups. The thermal stability and decomposition stages of the grown crystal were studied by TG-DTA analysis. UV-Visible transmittance studies showed the transparency region and cut-off wavelength of the grown crystal. The third-order nonlinear optical susceptibility of the grown crystal was estimated by Z-scan technique using Hesbnd Ne laser source. The mechanical property of the grown crystal was studied by using Vicker's microhardness test.

  20. Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

    Science.gov (United States)

    Hunt, J. L.; Boney, L. R.

    1973-01-01

    Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

  1. Growth and properties of Lithium Salicylate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Zaitseva, N; Newby, J; Hull, G; Saw, C; Carman, L; Cherepy, N; Payne, S

    2009-02-13

    An attractive feature of {sup 6}Li containing fluorescence materials that determines their potential application in radiation detection is the capture reaction with slow ({approx}< 100 keV) neutrons: {sup 6}Li + n = {sup 4}He + {sup 3}H + 4.8MeV. The use of {sup 6}Li-salicylate (LiSal, LiC{sub 6}H{sub 5}O{sub 3}) for thermal neutron detection was previously studied in liquid and polycrystalline scintillators. The studies showed that both liquid and polycrystalline LiSal scintillators could be utilized in pulse shape discrimination (PSD) techniques that enable separation of neutrons from the background gamma radiation. However, it was found that the efficiency of neutron detection using LiSal in liquid solutions was severely limited by its low solubility in commonly used organic solvents like, for example, toluene or xylene. Better results were obtained with neutron detectors containing the compound in its crystalline form, such as pressed pellets, or microscopic-scale (7-14 micron) crystals dispersed in various media. The expectation drown from these studies was that further improvement of pulse height, PSD, and efficiency characteristics could be reached with larger and more transparent LiSal crystals, growth of which has not been reported so far. In this paper, we present the first results on growth and characterization of relatively large, a cm-scale size, single crystals of LiSal with good optical quality. The crystals were grown both from aqueous and anhydrous (methanol) media, mainly for neutron detection studies. However, the results on growth and structural characterization may be interesting for other fields where LiSal, together with other alkali metal salicylates, is used for biological, medical, and chemical (as catalyst) applications.

  2. Raman spectroscopy and magnetic properties of bulk ZnO:Co single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Millot, M. [Centro de Estudios de Semiconductores, Universidad de los Andes, Merida (Venezuela); Gonzalez, J. [Centro de Estudios de Semiconductores, Universidad de los Andes, Merida (Venezuela); Molina, I. [Centro de Estudios de Semiconductores, Universidad de los Andes, Merida (Venezuela); Salas, B. [Centro de Estudios de Semiconductores, Universidad de los Andes, Merida (Venezuela); Golacki, Z. [Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, PL-02-668 Warsaw (Poland); Broto, J.M. [Laboratoire National des Champs Magnetiques Pulses, 31432 Toulouse Cedex 04 (France); Rakoto, H. [Laboratoire National des Champs Magnetiques Pulses, 31432 Toulouse Cedex 04 (France); Goiran, M. [Laboratoire National des Champs Magnetiques Pulses, 31432 Toulouse Cedex 04 (France)]. E-mail: goiran@lncmp.org

    2006-10-26

    We report on the investigation of structural and magnetic properties of the cobalt-based diluted magnetic semiconductor with wurtzite structure: Zn{sub 1-x}Co {sub x}O. Single crystals were grown by chemical vapour transport. From the Raman measurements in the temperature range 10-300 K on samples with Co concentration of 5%, we detect the presence of very small quantities of hcp-Co and also the presence of anti-ferromagnetic CoO impurities. This result is in agreement with the behaviour of magnetisation measurements under pulsed magnetic fields. High frequency-high field ESR reveals clearly the large crystal field splitting of the energy levels of isolated Co{sup 2+} ions.

  3. Hierarchically structured photonic crystals for integrated chemical separation and colorimetric detection.

    Science.gov (United States)

    Fu, Qianqian; Zhu, Biting; Ge, Jianping

    2017-02-16

    A SiO2 colloidal photonic crystal film with a hierarchical porous structure is fabricated to demonstrate an integrated separation and colorimetric detection of chemical species for the first time. This new photonic crystal based thin layer chromatography process requires no dyeing, developing and UV irradiation compared to the traditional TLC. The assembling of mesoporous SiO2 particles via a supersaturation-induced-precipitation process forms uniform and hierarchical photonic crystals with micron-scale cracks and mesopores, which accelerate the diffusion of developers and intensify the adsorption/desorption between the analytes and silica for efficient separation. Meanwhile, the chemical substances infiltrated to the voids of photonic crystals cause an increase of the refractive index and a large contrast of structural colors towards the unloaded part, so that the sample spots can be directly recognized with the naked eye before and after separation.

  4. Parent and trisubstituted triazacoronenes: synthesis, crystal structure and physicochemical properties.

    Science.gov (United States)

    Tan, Qitao; Chen, Huanhuan; Xia, Huaida; Liu, Bingxin; Xu, Bin

    2016-01-11

    A four-step synthesis of the C3-symmetric parent 1,5,9-triazacoronene (TAC) and its derivatives was achieved using a three-fold Bischler-Napieralski cyclization as the key step. The single-crystal X-ray diffraction of 1b (R = n-Bu) demonstrates that the azacoronene core is perfectly co-planar and the molecules adopt a favorable 2-D "brick-wall" arrangement with strong π-π interactions. The unique stacking, tunable photophysical and electronic properties, and high thermal stability should make them promising candidates for emissive and electron-transport materials.

  5. Crystallization and thermal properties of Polylactide/Palygorskite composites

    CSIR Research Space (South Africa)

    Kesavan Pillai, Sreejarani

    2014-06-01

    Full Text Available properties, clay John Wiley & Sons, Inc. Journal of Applied Polymer Science For Peer Review 808x381mm (120 x 120 DPI) Page 1 of 34 John Wiley & Sons, Inc. Journal of Applied Polymer Science For Peer Review Table 1 Films Tg/°C Tc/°C ∆Hm.../Paly (2 wt.%) composite. This decrease in Tcc is an indication of faster crystallization of PLA under the influence of Paly nanoparticles. Sabzi et al.40 recently reported similar results on PLA/ sepiolite composites and found that sepiolite...

  6. Relation between photochromic properties and molecular structures in salicylideneaniline crystals.

    Science.gov (United States)

    Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji

    2012-06-01

    The crystal structures of the salicylideneaniline derivatives N-salicylidene-4-tert-butyl-aniline (1), N-3,5-di-tert-butyl-salicylidene-3-methoxyaniline (2), N-3,5-di-tert-butyl-salicylidene-3-bromoaniline (3), N-3,5-di-tert-butyl-salicylidene-3-chloroaniline (4), N-3,5-di-tert-butyl-salicylidene-4-bromoaniline (5), N-3,5-di-tert-butyl-salicylidene-aniline (6), N-3,5-di-tert-butyl-salicylidene-4-carboxyaniline (7) and N-salicylidene-2-chloroaniline (8) were analyzed by X-ray diffraction analysis at ambient temperature to investigate the relationship between their photochromic properties and molecular structures. A clear correlation between photochromism and the dihedral angle of the two benzene rings in the salicylideneaniline derivatives was observed. Crystals with dihedral angles less than 20° were non-photochromic, whereas those with dihedral angles greater than 30° were photochromic. Crystals with dihedral angles between 20 and 30° could be either photochromic or non-photochromic. Inhibition of the pedal motion by intra- or intermolecular steric hindrance, however, can result in non-photochromic behaviour even if the dihedral angle is larger than 30°.

  7. Effect of Solidification Condition on Microstructure and Mechanical Properties of Single Crystal Superalloy

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    CMSX-2 single crystals with different primary dendrite arm spacing were obtained on directional solidification apparatus with high temperature gradient (250 K/cm). The microstructure and elevated temperature stress rupture properties of these single crystals were examined and analyzed.

  8. EFFECT OF THERMAL TREATMENT ON THE CHEMICAL COMPOSITION AND MECHANICAL PROPERTIES OF BIRCH AND ASPEN

    Directory of Open Access Journals (Sweden)

    Duygu Kocaefe

    2008-05-01

    Full Text Available The high temperature treatment of wood is one of the alternatives to chemical treatment. During this process, the wood is heated to higher temperatures than those of conventional drying. The wood structure changes due to decomposition of hemicelluloses, ramification of lignin, and crystallization of cellulose. The wood becomes less hygroscopic. These changes improve the dimensional stability of wood, increase its resistance to micro-organisms, darken its color, and modify its hardness. However, wood also might loose some of its elasticity. Consequently, the heat treatment conditions have to be optimized. Therefore, it is important to understand the transformation of the chemical structure of wood caused by the treatment. In this study, the modification of the surface composition of the wood was followed with Fourier transform infrared spectroscopy (FTIR and inverse gas chromatography (IGC under different experimental conditions. The effect of maximum treatment temperatures on the chemical composition of Canadian birch and aspen as well as the correlations between their chemical transformation and different mechanical properties are presented. FTIR analysis results showed that the heat treatment affected the chemical composition of birch more compared to that of aspen. The results of IGC tests illustrated that the surfaces of the aspen and birch became more basic with heat treatment. The mechanical properties were affected by degradation of hemicellulose, ramification of lignin and cellulose crystallization.

  9. Crystal Properties and Radiation Effects in Solid Molecular Hydrogens

    Energy Technology Data Exchange (ETDEWEB)

    Kozioiziemski, B

    2000-09-01

    The crystal lattice structure, growth shapes and helium generated by beta-decay of solid deuterium-tritium (D-T) mixtures have been studied. Understanding of these D-T properties is important for predicting and optimizing the target design of the National Ignition Facility (NIF). Raman spectroscopy showed the D-T crystal structure is hexagonal close packed, common to the non-tritiated isotopes. The isotopic mixtures of both tritiated and non-tritiated species broadens the rotational transitions, especially of the lighter species in the mixture. The vibrational frequencies of each isotope is shifted to higher energy in the mixture than the pure components. The J = 1-0 population decreases exponentially with a 1/e time constant which rapidly increases above 10.5 K for both D{sub 2} and T{sub 2} in D-T. The conversion rate is nearly constant from 5 K to 10 K for both D{sub 2} and T{sub 2} at 7.1 hours and 2.1 hours, respectively. The smoothing of D-T layers by beta decay heating is limited by the crystal surface energy. Deuterium and hydrogen-deuteride crystals were grown at a number of temperatures below the triple point to determine the surface energy and roughening transition. Several distinct crystal shapes were observed on a number of different substrates. The a facet roughens between 0.9 T{sub TP} and T{sub TP}, while the c facet persists up to the melting temperature. This is very different from the behavior of the other rare gas crystals which grow completely rounded above 0.8 T{sub TP}. Helium bubbles formed as a product of the beta decay were observed using optical microscopy and the diffusion of smaller bubbles measured with dynamic light scattering. Bubble diffusion coefficients as high as 2.0 x 10{sup -16} m{sup 2}/s were measured for 10-50 nm bubbles. The bubbles move in response to a thermal gradient, with speeds between 1 {micro}m/hour and 100 {micro}m/hour for thermal gradients and temperatures appropriate to NIF targets.

  10. Study on Growth and Optical, Scintillation Properties of Thallium Doped Cesium Iodide –Scintillator Crystal

    Directory of Open Access Journals (Sweden)

    B. Ravi

    2014-06-01

    Full Text Available Single crystal of Thallium doped cesium Iodide –Scintillator crystal was grown using vertical Bridgeman technique. The grown crystal was included for cutting and polishing for the characterization purpose and this crystal was studied by optical transmission properties, photo luminescence and thermally luminescence characteristics. Gamma-ray detectors were fabricated using the grown crystal that showed good linearity and nearly 7.5% resolution at 662 keV.

  11. Diamond Opal-Replica Photonic Crystals and Graphitic Metallic Photonic Band Gap Structures: Fabrication and Properties

    Science.gov (United States)

    Zakhidov, A. A.; Baughman, R. H.; Iqbal, Z.; Khayrullin, I. I.; Ralchenko, V. G.

    1998-03-01

    We demonstrate a new method for the formation of photonic bandgap crystals that operate at optical wavelengths. This method involves the templating of a self-assempled SiO2 lattice with diamond, graphite, or amorphous forms of carbon, followed by the removal of the original SiO2 lattice matrix by chemical means. Such carbon opal replicas are the "air type" of photonic crystal (where air replaces silica spheres) that are most favourable for photonic bandgap formation. Surprisingly, the structure of the original opal lattice having a typical cubic lattice dimension of 250 nm) is reliably replicated down to the nanometer scale using either a diamond, graphite, or amorphous carbon templated material. The optical properties of these photonic bandgap crystals are reported and compared with both theory and experimental results on other types of opal-derived lattices that we have investigated. The graphitic reverse opal is the first example of a network type metallic photonic crystal for the optical domain, for which a large photonic bandgap have been predicted.

  12. Effect of ZnS as an Impurity on the Physical Properties of KDP Single Crystals

    Directory of Open Access Journals (Sweden)

    O. V. Mary Sheeja,

    2014-01-01

    Full Text Available Pure and ZnS doped KDP (KH2PO4 single crystals were grown from aquous solutions by the slow evaporation technique at room temperature. The influence of ZnS on the growth and characteristic properties of the KDP single crystals were examined. Powder X-ray diffraction, atomic absorption spectroscopic and Fourier transform infrared spectral measurements were done to characterize the grown crystals structurally and chemically. Thermal and mechanical stabilities were understood by making respectively the thermogravimetric and microhardness measurements. The optical transparency and second harmonic generation efficiency were understood by making respectively the UV-Vis-NIR spectral and nonlinear optical measurements. The AC and DC electrical measurements made on all the six grown crystals indicate a normal dielectric behaviour. The electrical parameters, viz. dielectric constant, dielectric loss factor, AC electrical conductivity and DC electrical conductivity are found to increase with the increase in temperature in the temperature range (40 – 150oC considered in the present study. The AC and DC activation energies estimated are found to vary nonlinearly with the impurity concentration.

  13. Studies on Crystal Growth, Vibrational, Electronic Properties of Nonlinear Optical Crystal: Triglycine Phosphate

    Science.gov (United States)

    Meera, M. R.; Dipuna Das, C. N.; Bena Jothy, V.; Rayar, S. L.

    2016-10-01

    Nonlinear optics is a topic of much current interest that exhibits a great diversity. This is due to the technological potentials of certain nonlinear optical effects for photonic based technologies. Many NLO crystals grown by mixing amino acids with various organic and inorganic acids have been reported in the literature. Hence, glycine mixed semi-organic material will be of special interest as a fundamental building block to develop many complex crystals with improved NLO properties. In this context, the present work it is attempted to grow NLO active Triglycine phosphate [(NH2CH2COOH)3H3PO4](TGP) crystal from aqueous solution at room temperature by slow evaporation method. The geometry, intermolecular hydrogen bonding and harmonic vibrational wavenumbers of TGP was investigated with the help of B3LYP density functional theory (DFT) methods. Natural Bond Orbital (NBO) analysis confirms the occurrence of strong intermolecular N-H...O hydrogen bond. Second harmonic frequency generation was examined by Kurtz and Perry powder test. Theoretical first order hyperpolarizability value was calculated.

  14. Study of the structural and physicochemical properties of nanostructured zirconia crystals for fabricating an innovative electrosurgical tool

    Science.gov (United States)

    Belov, S. V.; Borik, M. A.; Vishnyakova, M. A.; Danileiko, Yu. K.; Kulebyakin, A. V.; Lomonova, E. E.; Milovich, F. O.; Myzina, V. A.; Osiko, V. V.; Salyuk, V. A.; Tabachkova, N. Yu.

    2013-05-01

    To optimize the chemical composition of the crystals of nanostructured partially stabilized zirconium dioxide for fabricating cutting parts of an electrosurgical tool, the structural and strength properties of these crystals were investigated in dependence on the stabilizing impurity (Y2O3) content and the effect of additional dopants on the critical properties of the material was studied. It was established that in all the investigated crystals without additional doping, regardless of the stabilizing impurity content, there are two phases of zirconium dioxide tetragonal modification with different tetragonality factors, c/ a = 1.006-1.007 and 1.014-1.015, the first being nontransformable and the second being transformable to a monoclinic phase. All the synthesized crystals are characterized by a pronounced twin domain structure, which forms upon cooling the single crystal during the transition of the cubic structure to the tetragonal one. It was established that the Y2O3 concentration in the range from 2.5 to 3.0 mol % is optimal for ensuring high values of the strength characteristics and fracture toughness of the material. Doping of the crystals with the rare-earth elements notice-ably affects their strength characteristics. One of the most promising materials for fabricating cutting blades of the electrosurgical tool is the crystals of partially stabilized zirconium dioxide doped with Ce2O3+Nd2O3, which are characterized by high fracture toughness and enhanced bending strength.

  15. Microphysical Ice Crystal Properties in Mid-Latitude Frontal Cirrus

    Science.gov (United States)

    Schlage, Romy; Jurkat, Tina; Voigt, Christiane; Minikin, Andreas; Weigel, Ralf; Molleker, Sergej; Klingebiel, Marcus; Borrmann, Stephan; Luebke, Anna; Krämer, Martina; Kaufmann, Stefan; Schäfler, Andreas

    2015-04-01

    Cirrus clouds modulate the climate by reflection of shortwave solar radiation and trapping of longwave terrestrial radiation. Their net radiative effect can be positive or negative depending on atmospheric and cloud parameters including ice crystal number density, size and shape. Latter microphysical ice crystal properties have been measured during the mid-latitude cirrus mission ML-CIRRUS with a set of cloud instruments on the new research aircraft HALO. The mission took place in March/April 2014 with 16 flights in cirrus formed above Europe and the Atlantic. The ice clouds were encountered at altitudes from 7 to 14 km in the typical mid-latitude temperature range. A focus of the mission was the detection of frontal cirrus linked to warm conveyor belts (WCBs). Within WCBs, water vapor is transported in the warm sector of an extra-tropical cyclone from the humid boundary layer to the upper troposphere. Cirrus cloud formation can be triggered in the WCB outflow region at moderate updraft velocities and additionally at low updrafts within the high pressure system linked to the WCB. Due to their frequent occurrence, WCBs represent a major source for regions of ice supersaturation and cirrus formation in the mid-latitudes. Here, we use data from the Cloud and Aerosol Spectrometer with detection for POLarization (CAS-POL) and the Cloud Combination Probe (CCP), combining a Cloud Droplet Probe (CDP) and a greyscale Cloud Imaging Probe (CIPgs) to investigate the ice crystal distribution in the size range from 0.5 µm to 1 mm. We derive microphysical cirrus properties in mid-latitude warm front cirrus. Further, we investigate their variability and their dependence on temperature and relative humidity. Finally, we compare the microphysical properties of these frontal cirrus to cirrus clouds that formed at low updrafts within high pressure systems or at high updraft velocities in lee waves. We quantify statistically significant differences in cirrus properties formed in these

  16. Quantum-chemical approach to defect formation processes in non-metallic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kotomin, E.A.; Shluger, A.L. (Latvijskij Gosudarstvennyj Univ., Riga (USSR))

    1989-01-01

    Results of the quantum-chemical simulation of the formation of structural and radiation defects are reviewed, using ice, silicon, and silicon dioxide as examples. The relationship between the structural elements of these crystals and the structural defects is analysed. Models of the main defects, their optical characteristics, and the activation energy of their migration are discussed. The relationship between the characteristics obtained by quantum-chemical calculations and the parameters of the macroscopic kinetics of the processes induced by defects in dielectric crystals is considered. (author).

  17. Physico-chemical properties and energy potential of wood wastes ...

    African Journals Online (AJOL)

    Physico-chemical properties and energy potential of wood wastes from ... Journal Home > Vol 36, No 2 (2017) > ... The results are indications that the wood wastes are suitable as feedstock for renewable energy generation with little or no ...

  18. Physio-chemical, mineral composition and antioxidant properties of ...

    African Journals Online (AJOL)

    Physio-chemical, mineral composition and antioxidant properties of Roselle ... The roselle extract has a unique red colour, good flavour, low sugar and high acidic ... human body from several diseases attributed to the reactions of free radicals.

  19. Terrestrial gamma dose rates and physical-chemical properties of ...

    African Journals Online (AJOL)

    Terrestrial gamma dose rates and physical-chemical properties of farm soils ... African Journal of Environmental Science and Technology ... left a legacy derelict landscapes and impoverished agricultural farm lands in the Jos, Plateau Nigeria.

  20. chemical properties of soil in rivers state, nigeria *ch

    African Journals Online (AJOL)

    Osondu

    chemical properties and the spatial extent ... the core and decreased with increasing distance from the core. ... Key words: Charcoal, Soil, Change index, Niger Delta, Nigeria ..... practices. References. Agbenin, J.O. (1995), Laboratory manual for Soil.

  1. physical and chemical properties of some selected rice varieties in ...

    African Journals Online (AJOL)

    User

    Physical and chemical properties of nine rice varieties grown and processed in Ebonyi State were studied. ... adaptation traits for each ecology (Sanni et al., 2005). Abakaliki in Ebonyi State ..... Some Quality Factors of Raw and Processed rice.

  2. Scintillation properties of CsI:In single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Gridin, S., E-mail: gridin.sergey@gmail.com [Institute for Scintillation Materials, 61001 Kharkov (Ukraine); Institut Lumière Matière, Lyon, 69622 Villeurbanne Cedex (France); Belsky, A. [Institut Lumière Matière, Lyon, 69622 Villeurbanne Cedex (France); Moszynski, M.; Syntfeld-Kazuch, A. [National Centre for Nuclear Research, Soltana 7, 05-400 Otwock-Swierk (Poland); Shiran, N.; Gektin, A. [Institute for Scintillation Materials, 61001 Kharkov (Ukraine)

    2014-10-11

    Scintillation properties of CsI:In single crystals have been investigated. Scintillation yield of CsI:In measured with the 24 μs integration time is around 27,000 ph/MeV, reaching the saturation at 0.005 mol% of the activator. However, luminescence yield of CsI:In is close to CsI:Tl scintillation crystals, which is around 60,000 ph/MeV. This difference is explained by the presence of an ultra-long afterglow in CsI:In scintillation pulse. Thermoluminescence studies revealed a stable trap around 240 K that is supposed to be related to millisecond decay components. The best measured energy resolution of (8.5±0.3)% was achieved at 24 μs peaking time for a CsI sample doped with 0.01 mol% of In. Temperature stability of CsI:In radioluminescence intensity was found to be remarkably high. Its X-ray luminescence yield remains stable up to 600 K, whereafter thermal quenching occurs. The latter property gives CsI:In a potential to be used in well logging applications.

  3. Effects of crystallization in the presence of the diastereomer on the crystal properties of (SS)-(+)-pseudoephedrine hydrochloride.

    Science.gov (United States)

    Gu, C H; Grant, D J

    2000-01-01

    The formation and separation of diastereomers is widely used to resolve enantiomers. However, during crystallization of a chiral compound from a solution containing its diastereomer, the diastereomer may be incorporated as an impurity into the host crystal lattice, leading to changes in the thermodynamic properties and intrinsic dissolution rate of the host crystals. This hypothesis was tested by growing crystals of (SS)-(+)-pseudoephedrine hydrochloride (+PC) from aqueous solution containing various amounts of (RS)-(-)-ephedrine hydrochloride (-EC). Although the melting phase diagram of these two solid compounds, determined by differential scanning calorimetry (DSC), shows eutectic behavior, 0.034-2.4 mol% of -EC was incorporated into the crystal lattice of +PC during crystallization to form terminal solid solutions with a segregation coefficient of 0.31. In a single batch, the larger crystals contain more incorporated impurities than smaller crystals. The enthalpy and entropy of fusion measured by DSC decrease with increasing incorporation of the guest molecules into the host, indicating increases in the enthalpy and entropy of the solid. The disruption index, which indicates the disruptive effect of guest molecules in the host crystal lattice, is 60 at lattice. The average intrinsic dissolution rate of impure crystals in 2-propanol is 15.8% lower than that of pure host crystals, suggesting the formation of stable solid solutions.

  4. β-Amyloid pathogenesis: Chemical properties versus cellular levels

    DEFF Research Database (Denmark)

    Tiwari, Manish Kumar; Kepp, Kasper Planeta

    2016-01-01

    , or aggregation propensities. Cytotoxicity correlates inversely with total Aβ42 (R2=0.65, P =.016) and Aβ42/Aβ40 ratios (R2=0.76, P=.005), i.e., chemical properties that increase Aβ42 also reduce toxicity. The complexity and heterogeneity of data reveal the need to understand these phenotypes better, e.......g., by focusing on the chemical properties of the involved Aβ species....

  5. Comparison of spectroscopic properties of Yb:YAP and Yb:YAG crystals

    Institute of Scientific and Technical Information of China (English)

    Xiaoming He; Guangjun Zhao; Xiaodong Xu; Xionghui Zeng; Jun Xu

    2007-01-01

    The Yb:YAG and Yb:YAP crystals have been grown by Czochralski method. The absorption spectra and the fluorescence spectra of Yb:YAG and Yb:YAP crystals have been investigated. It is shown that the Yb:YAG crystal has better laser properties and smaller threshold power than Yb:YAP crystal. In addition, the absorption cross-section of the Yb:YAP crystal is 2.16 times of that of the Yb:YAG crystal,so laser diode pumped Yb:YAG lasing can be easily realized. Because YAP single crystal is anisotropic, it is provided with polarization characteristics.

  6. determination of physio determination of physio-chemical properties ...

    African Journals Online (AJOL)

    eobe

    The objectives were to determine the physical, chemical ... seed oil exhibited good chemical properties for biodiesel production with a viscosity of 46.58mpa/s at 30oC,. Free Fatty Acid (FFA) ... production than animal fats and used/blended oils.

  7. Influence of precursor solution parameters on chemical properties of calcium phosphate coatings prepared using Electrostatic Spray Deposition (ESD).

    NARCIS (Netherlands)

    Leeuwenburgh, S.C.G.; Wolke, J.G.C.; Schoonman, J.; Jansen, J.A.

    2004-01-01

    A novel coating technique, referred to as Electrostatic Spray Deposition (ESD), was used to deposit calcium phosphate (CaP) coatings with a variety of chemical properties. The relationship between the composition of the precursor solutions and the crystal and molecular structure of the deposited coa

  8. Pb1–xMnxTe single crystals and their structural properties

    Directory of Open Access Journals (Sweden)

    NEBOJSA ROMCEVIC

    2004-12-01

    Full Text Available Pb1-xMnxTe crystals were grown by the vertical Bridgman method. Their structural properties were observed both by optical microscopy after chemical polishing and ething, and by X-ray powder diffraction analysis. A solution of 5 vol. % Br2 in HBr at room temperatur, for an exposure of 2 min was determined for chemical polishing. A solution of 20 g KOH in 1 ml H2O2, 2 ml glycerol (C3H8O3, and 20 ml H2O at room temperature for an exposure for 6 min was found to be a suitable etching solution. The obtained results are discussed and compared with published data.

  9. Matching X-ray beam and detector properties to protein crystals of different perfection

    Energy Technology Data Exchange (ETDEWEB)

    Nave, Colin, E-mail: colin.nave@diamond.ac.uk [Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom)

    2014-03-18

    Expressions are given to match X-ray data collection facilities to the intrinsic diffraction properties of crystals with different degrees of perfection. An analysis is given of the effect of different beam and detector parameters on the sharpness of recorded diffraction features for macromolecular crystals of different quality. The crystal quality parameters include crystal strain, crystal or mosaic block size and mosaic block misorientation. Calculations are given for instrument parameters such as angular resolution of the detector, beam divergence and wavelength bandpass to be matched to the intrinsic diffraction properties from these crystals with the aim of obtaining the best possible data out of each crystal. Examples are given using typical crystal imperfections obtained from the literature for both room-temperature and cryo-cooled crystals. Possible implications for the choice of X-ray source, beamline design, detector specifications, instrument set-up and data processing are discussed, together with the limitations of the approach.

  10. Study on scattering properties of tissues with hyperosmotic chemical agents

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Optical properties of biological tissue are variable due to the changes of micro-structures and scattering constituents after hyperosmotic chemical agents permeates into tissue. The changes of optical properties of biological tissue are due to the refractive indices matching between the scatterers with high refractive index and the ground substances, which reduce scattering of tissue. The main reasons are that permeated semipermeable chemical agents with higher refractive index than the ground substances of tissuemakes the refractive index of ground substances of tissue higher by the enhancement of the permeated concentration. We studied on the collimated transmittance changes of light penetrating biological tissue after the hyperosmotic chemical agents administrates with different concentration.

  11. Effect of Copper Addition on Crystallization and Properties of Hafnium Containing HITPERM Alloys

    Science.gov (United States)

    2010-05-01

    AFRL-RZ-WP-TP-2010-2190 EFFECT OF COPPER ADDITION ON CRYSTALLIZATION AND PROPERTIES OF HAFNIUM CONTAINING HITPERM ALLOYS (POSTPRINT) L...SUBTITLE EFFECT OF COPPER ADDITION ON CRYSTALLIZATION AND PROPERTIES OF HAFNIUM CONTAINING HITPERM ALLOYS (POSTPRINT) 5a. CONTRACT NUMBER In-house...8-98) Prescribed by ANSI Std. Z39-18 Effect of copper addition on crystallization and properties of hafnium containing HITPERM alloys „invited

  12. Morphological stability criterion for a spherical crystallization front in a multicomponent system with chemical reactions

    Science.gov (United States)

    Kukushkin, S. A.; Osipov, A. V.; Redkov, A. V.

    2014-12-01

    The morphological stability of a spherical crystal growing from a multicomponent medium due to the chemical reaction has been investigated. The approach used in this study is applicable to the case where the chemical compound forming the crystal does not exist in a gaseous (dissolved) form (for example, GaN). The investigation has been performed according to the classical scheme by the expansion of an infinitesimal deviation of the crystallization front from the initial shape into a series with the subsequent calculation of the time dependence of the coefficients of the expansion. It has been found that there is a similarity of the stability criteria for single-component and multicomponent crystals. In a multicomponent system, the single-component supersaturation analog determining the stability of a particle is the affinity of the chemical reaction. It has been shown that the morphological stability can also depend on the formation of other phases on the surface of the initial crystal, which is excluded in a single-component medium.

  13. Outgassing Properties of Chemically Polished Titanium Materials

    Science.gov (United States)

    Kurisu, Hiroki; Kimoto, Gou; Fujii, Hiroaki; Tanaka, Kazuhiko; Yamamoto, Setsuo; Matsuura, Mitsuru; Ishizawa, Katsunobu; Nomura, Takeru; Murashige, Nobuyuki

    We developed a chemical polishing (CP) for titanium materials applicable to ultrahigh vacuum (UHV) and extremely high vacuum (XHV) systems. The surface roughness, Ra, of the chemically polished titanium is obtained to be 25 nm by the atomic force microscopy measurement. This value is smaller than those of the base metal (BM) and the buff-polished (BP) samples. The thickness of the surface oxide layer of CP sample is estimated to be 7 nm by the cross section of transmission electron micrograph. Amount of desorption gas of CP sample obtained by the thermal desorption measurement is smaller than those of BM and BP sample, and is the same as that of the mechanochemically polished (MCP) sample. The outgassing rate of CP sample after baking at 150°C×20 h is obtained to be 7×10-13 Pa•m•s-1. This value is lower than that of standard vacuum materials by two orders of magnitude after the ordinary baking.

  14. Physical and Chemical Properties of Meteoric Smoke

    Science.gov (United States)

    Plane, J. M.; Saunders, R. E.

    2005-12-01

    Somewhere between 10 and 100 tonnes (the current range of estimates) of interplanetary dust enters the earth's atmosphere each day. At least 60 percent of this ablates completely into atoms and ions, mostly between 70 and 110 km. This paper is concerned with the subsequent fate of the ablated metals and silicon. These species form a variety of oxides and hydroxides below 90 km, and it is widely believed that these species condense into nanometer-sized dust particles, known as "meteoric smoke". Here we will report laboratory experiments to simulate the production of meteoric smoke particles. Several chemical systems were investigated using a photochemical reactor: pure iron, iron-oxygen, silicon-oxygen and mixed iron-silicon-oxygen nano-particles. The particles were analysed for size distribution (diameter greater than 3 nm), chemical and physical structure and optical extinction. The kinetics of particle growth through condensation and coagulation were also measured in a novel aerosol flow tube. The results are used to refine aerosol growth models, and then to speculate on the likely form and size distribution of meteoric smoke in the mesosphere. Finally, we will consider how changes in the interplanetary dust flux could have affected the evolution of the earth's atmosphere.

  15. Lyotropic chromonic liquid crystals: From viscoelastic properties to living liquid crystals

    Science.gov (United States)

    Zhou, Shuang

    Lyotropic chromonic liquid crystal (LCLC) represents a broad range of molecules, from organic dyes and drugs to DNA, that self-assemble into linear aggregates in water through face-to-face stacking. These linear aggregates of high aspect ratio are capable of orientational order, forming, for example nematic phase. Since the microscopic properties (such as length) of the chromonic aggregates are results of subtle balance between energy and entropy, the macroscopic viscoelastic properties of the nematic media are sensitive to change of external factors. In the first part of this thesis, by using dynamic light scattering and magnetic Frederiks transition techniques, we study the Frank elastic moduli and viscosity coefficients of LCLC disodium cromoglycate (DSCG) and sunset yellow (SSY) as functions of concentration c , temperature T and ionic contents. The elastic moduli of splay (K1) and bend (K3) are in the order of 10pN, about 10 times larger than the twist modulus (K2). The splay modulus K1 and the ratio K1/K3 both increase substantially as T decreases or c increases, which we attribute to the elongation of linear aggregates at lower T or higher c . The bend viscosity is comparable to that of thermotropic liquid crystals, while the splay and twist viscosities are several orders of magnitude larger, changing exponentially with T . Additional ionic additives into the system influence the viscoelastic properties of these systems in a dramatic and versatile way. For example, monovalent salt NaCl decreases bend modulus K3 and increases twist viscosity, while an elevated pH decreases all the parameters. We attribute these features to the ion-induced changes in length and flexibility of building units of LCLC, the chromonic aggregates, a property not found in conventional thermotropic and lyotropic liquid crystals form by covalently bound units of fixed length. The second part of the thesis studies a new active bio-mechanical hybrid system called living liquid crystal

  16. Manufacturing, structure and properties of recycled polyethylene terephthalate /liquid crystal polymer/montmorillonite clay nanocomposites

    Science.gov (United States)

    Japins, Guntis; Berzina, Rita; Zicans, Janis; Merijs Meri, Remo; Ivanova, Tatjana; Kalkis, Valdis; Reinholds, Ingars

    2013-12-01

    Polyethylene terephthalate (PET)/liquid crystal polymer (LCP)/monthmorillonite clay (MMT) compositions were obtained by melt mixing. Their mechanical, structural, rheological and thermal properties were investigated.

  17. Multi proxy chemical properties of freshwater sapropel

    Science.gov (United States)

    Stankevica, Karina; Rutina, Liga; Burlakovs, Juris; Klavins, Maris

    2014-05-01

    Freshwater sapropel is organic rich lake sediment firstly named "gyttja" by Hampus van Post in 1862. It is composed of organic remains such as shell detritus, plankton, chitin of insects, spores of higher plants and mineral part formed in eutrophic lake environments. The most appropriate environments for the formation of sapropel are in shallow, overgrown post-glacial lakes and valleys of big rivers in boreal zone, while thick deposits of such kind of organic sediments rarely can be found in lakes on permafrost, mountainous regions or areas with increased aridity. Organic lake sediments are divided in 3 classes according the content of organic matter and mineral part: biogenic, clastic and mixed. The value of sapropel as natural resource increases with the content of organic matter and main applications of sapropel are in agriculture, medicine, cosmetic and chemical industry. The research of sapropel in Latvia has shown that the total amount of this natural resource is close to 2 billion m3 or ~500 million tons. Sapropel has fine, dispersed structure and is plastic, but colour due to the high natural content of phosphorus usually is dark blue, later after drying it becomes light blue. Main research of the sapropel nowadays is turned to investigation of interactions among organic and mineral part of the sapropel with living organisms thus giving the inside look in processes and biological activity of the formation. From the chemical point of view sapropel contains lipids (bitumen), water-soluble substances that are readily hydrolyzed, including humic and fulvic acids, cellulose and the residual part, which does not hydrolyze. In this work we have analyzed the class of organic sapropel: peaty, cyanobacterial and green algal types, as well as siliceous sapropel, in order to determine the presence of biologically active substances, including humic substances, proteins and enzymes as well as to check free radical scavenging activity. Samples were collected from lakes

  18. Single crystal Fe elements patterned by one-step selective chemical wet etching

    NARCIS (Netherlands)

    Sun, Li; Wong, P.K.J.; Niu, Daxin; Zou, Xiao; Zhai, Ya; Wu, Jing; Xu, Yongbing; Zhai, Hongru

    2010-01-01

    A technique has been developed to pattern single crystal ultrathin Fe films by selective chemical wet etching of the Au capping layer and then simultaneous oxidization of the ferromagnetic Fe layer underneath. The focused magneto-optical Kerr effect and ferromagnetic resonance measurements demonstra

  19. Tunability and Sensing Properties of Plasmonic/1D Photonic Crystal.

    Science.gov (United States)

    Shaban, Mohamed; Ahmed, Ashour M; Abdel-Rahman, Ehab; Hamdy, Hany

    2017-02-08

    Gold/one-dimensional photonic crystal (Au/1D-PC) is fabricated and applied for sensitive sensing of glucose and different chemical molecules of various refractive indices. The Au layer thickness is optimized to produce surface plasmon resonance (SPR) at the right edge of the photonic band gap (PBG). As the Au deposition time increased to 60 sec, the PBG width is increased from 46 to 86 nm in correlation with the behavior of the SPR. The selectivity of the optimized Au/1D-PC sensor is tested upon the increase of the environmental refractive index of the detected molecules. The resonance wavelength and the PBG edges increased linearly and the transmitted intensity increased nonlinearly as the environment refractive index increased. The SPR splits to two modes during the detection of chloroform molecules based on the localized capacitive coupling of Au particles. Also, this structure shows high sensitivity at different glucose concentrations. The PBG and SPR are shifted to longer wavelengths, and PBG width is decreased linearly with a rate of 16.04 Å/(μg/mm(3)) as the glucose concentration increased. The proposed structure merits; operation at room temperature, compact size, and easy fabrication; suggest that the proposed structure can be efficiently used for the biomedical and chemical application.

  20. Tunability and Sensing Properties of Plasmonic/1D Photonic Crystal

    Science.gov (United States)

    Shaban, Mohamed; Ahmed, Ashour M.; Abdel-Rahman, Ehab; Hamdy, Hany

    2017-01-01

    Gold/one-dimensional photonic crystal (Au/1D-PC) is fabricated and applied for sensitive sensing of glucose and different chemical molecules of various refractive indices. The Au layer thickness is optimized to produce surface plasmon resonance (SPR) at the right edge of the photonic band gap (PBG). As the Au deposition time increased to 60 sec, the PBG width is increased from 46 to 86 nm in correlation with the behavior of the SPR. The selectivity of the optimized Au/1D-PC sensor is tested upon the increase of the environmental refractive index of the detected molecules. The resonance wavelength and the PBG edges increased linearly and the transmitted intensity increased nonlinearly as the environment refractive index increased. The SPR splits to two modes during the detection of chloroform molecules based on the localized capacitive coupling of Au particles. Also, this structure shows high sensitivity at different glucose concentrations. The PBG and SPR are shifted to longer wavelengths, and PBG width is decreased linearly with a rate of 16.04 Å/(μg/mm3) as the glucose concentration increased. The proposed structure merits; operation at room temperature, compact size, and easy fabrication; suggest that the proposed structure can be efficiently used for the biomedical and chemical application. PMID:28176799

  1. Thermoelectric Properties of Czochralski GeSi Crystal

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    In order to discuss the application possibility of SiGe crystal in thermoelectric materials, we investigated the thermoelectric properties of several silicon-germanium alloys with different content, orientation and electric conductive type. As discussed in the experiment result, the absolute value of Seebeck coefficient fluctuates from 300 to 600 μV/K in the whole temperature range. In the present paper, the relationship of Seebeck coefficient against content, orientation and electric conductive type is summarized in detail. The Seebeck coefficient of the sample with 〈111〉orientation is smaller than that in 〈100〉 at the same temperature. Absolute value of P-type is larger than that of N-type except pure Ge. But as the temperature increases, the absolute value of pure Ge decreases many times as quickly as that of other specimens. In addition, the specimens of bulk GeSi alloy crystals for experiment were grown by the Czochralski method through varying the pulling rate during the growing process.

  2. Structural noise tolerance of photonic crystal optical properties

    Science.gov (United States)

    Odontsengel, Nyam-Erdene; Cai, DongSheng; Cole, James B.

    2016-12-01

    Using nonstandard (NS) finite difference time domain (FDTD) scheme to perform 2D electromagnetic (EM) simulations, we investigate how the optical properties of 2D photonic crystals (PCs) are affected by various different kinds of structural noises in the PC lattice. While the transmission spectrum is strongly affected by noises, the position and the depth of the band gap in the transmission spectrum are remarkably robust. It is shown that rather coarse numerical grids can be used to evaluate various PC structures in NS-FDTD EM simulations. The combination of noises affects transmission spectrum in the same way as the most influential individual noise. It is shown that reducing the most influential individual noise is a very efficient method to make PC more accurate.

  3. Properties of surface modes in one dimensional plasma photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Shukla, S.; Prasad, S., E-mail: prasad.surendra@gmail.com; Singh, V. [Department of Physics, Faculty of Science, Banaras Hindu University, Varanasi 221005 (India)

    2015-02-15

    Properties of surface modes supported at the interface of air and a semi-infinite one dimensional plasma photonic crystal are analyzed. The surface mode equation is obtained by using transfer matrix method and applying continuity conditions of electric fields and its derivatives at the interface. It is observed that with increase in the width of cap layer, frequencies of surface modes are shifted towards lower frequency side, whereas increase in tangential component of wave-vector increases the mode frequency and total energy carried by the surface modes. With increase in plasma frequency, surface modes are found to shift towards higher frequency side. The group velocity along interface is found to control by cap layer thickness.

  4. The crystal structure and superconducting properties of monatomic bromine.

    Science.gov (United States)

    Duan, Defang; Meng, Xing; Tian, Fubo; Chen, Changbo; Wang, Liancheng; Ma, Yanming; Cui, Tian; Liu, Bingbing; He, Zhi; Zou, Guangtian

    2010-01-13

    The crystal structure and superconducting properties of monatomic bromine under high pressure have been studied by first-principles calculations. We have found the following phase transition sequence with increasing pressure: from body-centered orthorhombic (bco, phase II) to body-centered tetragonal structure (bct, phase III) at 126 GPa, then to face-centered cubic structure (fcc, phase IV) at 157 GPa, which is stable at least up to 300 GPa. The calculated superconducting critical temperature T(c) = 1.46 K at 100 GPa is consistent with the experimental value of 1.5 K. In addition, our results of T(c) decrease with increasing pressure in all the monatomic phases of bromine, similar to monatomic iodine. Further calculations show that the decrease of λ with pressure in phase IV is mainly attributed to the weakening of the 'soft' vibrational mode caused by pressure.

  5. Exploring Solid-State Structure and Physical Properties: A Molecular and Crystal Model Exercise

    Science.gov (United States)

    Bindel, Thomas H.

    2008-01-01

    A crystal model laboratory exercise is presented that allows students to examine relations among the microscopic-macroscopic-symbolic levels, using crystalline mineral samples and corresponding crystal models. Students explore the relationship between solid-state structure and crystal form. Other structure-property relationships are explored. The…

  6. Synthesis and mesomorphic properties of new azine-type liquid crystals

    Institute of Scientific and Technical Information of China (English)

    Qiang Wei; Lin Shi; Hui Cao; Huai Yang; Yan Bin Wang

    2007-01-01

    A series of symmetrical azine-type liquid crystals were synthesized. The characteristic of these liquid crystals is that they had high clearing point (~320 ℃) and broad thermal range of nematic phase (~154 ℃). It was also found that the end groups of the liquid crystals had effect on the mesomorphic properties.

  7. Exploring Solid-State Structure and Physical Properties: A Molecular and Crystal Model Exercise

    Science.gov (United States)

    Bindel, Thomas H.

    2008-01-01

    A crystal model laboratory exercise is presented that allows students to examine relations among the microscopic-macroscopic-symbolic levels, using crystalline mineral samples and corresponding crystal models. Students explore the relationship between solid-state structure and crystal form. Other structure-property relationships are explored. The…

  8. Dielectric properties and molecular motions of liquid crystal molecules in 4-(2-methylbytylphenyl 4-(4-octylphenylbenzoate liquid crystal having blue phase (CE8

    Directory of Open Access Journals (Sweden)

    Otowski W.

    2015-06-01

    Full Text Available Blue phase liquid crystals exhibit unique properties which are used in the new type of display. A blue-phase liquid crystal display was first presented commercially by Samsung in 2007. The blue-phase-three-color pixel display eliminates the need for color filters. This type of display uses blue-phase multi-component liquid crystal. Considering the one-component systems, it turns out that they are stable only in a very narrow range of temperatures between the isotropic and the chiral nematic phase (about 1 K. In 2005, a wide temperature range BP multi-component system was reported by researchers from the University of Cambridge. There are still several unsolved problems left. One of them is chemical stability and reliability. Therefore, the knowledge of molecular dynamics of blue phase liquid crystal is a prerequisite for understanding of blue-phase multi-component system. Understanding the molecular dynamics of a single component liquid-crystalline blue phase system can facilitate the solution of these problems. We present the molecular dynamics investigation of 4-(2-methylbytylphenyl 4-(4-octylphenylbenzoate (CE8, which may be a good candidate to form materials suitable for blue-phase liquid crystal displays.

  9. Chemical identification and properties of element 112

    CERN Document Server

    Yakushev, A B; Zvára, I

    2002-01-01

    The second experiment on the chemical identification of element 112 performed at the FLNR (Dubna) is reported. Similar to the first test in 2000, the 2 mg/cm sup 2 sup n sup a sup t U target was bombarded with the 262-MeV sup 4 sup 8 Ca ions aiming at the production of sup 2 sup 8 sup 3 112, which as reported earlier decays by SF with a half-life of 3 min. The bombardment products recoiling from the target were thermalized in flowing helium and transported by the gas to detectors 25 m apart. Of all the heavy elements, the reaction products, only Hg, Rn and At were efficiently transported and thus selectively isolated. This time the beam dose was much higher (2.8 centre dot 10 sup 1 sup 8) and two different devices for detecting fission fragments and alpha particles were employed. The device used earlier was an assembly of sixteen PIPS detectors coated with Au to detect 'Hg-like' nuclides being adsorbed on Au at ambient temperature. The new one was a flow-through ionization chamber, 5000 cm sup 3 in volume, wh...

  10. Driving voltage properties sensitive to microscale liquid crystal orientation pattern in twisted nematic liquid crystal cells

    Science.gov (United States)

    Honma, Michinori; Takahashi, Koki; Yamaguchi, Rumiko; Nose, Toshiaki

    2016-04-01

    We investigated the micropattern-sensitive driving voltage properties of twisted nematic liquid crystal (LC) cells and found that the threshold voltage for inducing the Fréedericksz transition strongly depends on the micropatterned LC molecular orientation state. We discuss the effects of various cell parameters such as the period of the micropattern Λ, the LC layer thickness d, and the twist angle Φ on the threshold voltage. By a computer simulation of the LC molecular orientation, we found that the threshold voltage V th varies in response to the deformation factor Δ (= d 2/Λ2 + Φ2/π2) of the spatially distributed LC molecular orientation. We confirm that V\\text{th}2 is proportional to 1 - Δ from both theoretical and experimental standpoints.

  11. Researches on the Growth Habit and Optical Properties of Fe3+ Ion Doped KDP Crystal

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    During the process of KDP crystal growth, metal ions strongly affect the growth habit and optical properties of KDP single crystal. In this paper, KDP crystals were grown from an aqueous solution doped with different concentration of Fe3+ dopant by traditional temperaturereduction method and "point-seed" rapid growth method. Furthermore, we examined the light scatter and measured the transmission of these KDP crystals. It is found that the dopant of Fe3+ ion can improve the stability of the KDP growth solution when its concentration is less than 30 ppm.The effects of Fe3+ ion on the growth habit and optical properties of KDP crystal are also obvious.

  12. Crystal chemical characterization of mullite-type aluminum borate compounds

    Science.gov (United States)

    Hoffmann, K.; Hooper, T. J. N.; Zhao, H.; Kolb, U.; Murshed, M. M.; Fischer, M.; Lührs, H.; Nénert, G.; Kudějová, P.; Senyshyn, A.; Schneider, H.; Hanna, J. V.; Gesing, Th. M.; Fischer, R. X.

    2017-03-01

    Al-rich aluminum borates were prepared by different synthesis routes using various Al/B ratios, characterized by diffraction methods, spectroscopy and prompt gamma activation analysis. The 11B NMR data show a small amount of BO4 species in all samples. The chemical analysis indicates a trend in the Al/B ratio instead of a fixed composition. Both methods indicate a solid solution Al5-xB1+xO9 where Al is substituted by B in the range of 1-3%. The structure of B-rich Al4B2O9 (C2/m, a=1488 pm, b=553 pm, c=1502 pm, ß=90.6°), was re-investigated by electron diffraction methods, showing that structural details vary within a crystallite. In most of the domains the atoms are orderly distributed, showing no signal for the postulated channel oxygen atom O5. The absence of O5 is supported by density functional theory calculations. Other domains show a probable disordered configuration of O5 and O10, indicated by diffuse scattering along the b direction.

  13. Enhancement of chemical sensing capability in a photonic crystal fiber with a hollow high index ring defect at the center.

    Science.gov (United States)

    Park, Jiyoung; Lee, Sejin; Kim, Soan; Oh, Kyunghwan

    2011-01-31

    A new type of index-guided photonic crystal fiber is proposed to enhance chemical sensing capability by introducing a hollow high index ring defect that consists of the central air hole surrounded by a high index GeO2 doped SiO2 glass ring. Optical properties of the fundamental guided mode were numerically analyzed using the full-vector finite element method varying the design parameters of both the defects in the center and the hexagonal air-silica lattice in the cladding. Enhanced evanescent wave interaction in the holey region and lower confinement loss by an order of magnitude were achieved simultaneously, which shows a high potential in hyper sensitive fiber-optic chemical sensing applications.

  14. Crystal growth and scintillation properties of undoped and Ce3+-doped GdI3 crystals

    Science.gov (United States)

    Ye, Le; Li, Huanying; Wang, Chao; Shi, Jian; Chen, Xiaofeng; Wang, Zhongqing; Huang, Yuefeng; Xu, Jiayue; Ren, Guohao

    2017-02-01

    The growth and scintillation properties of undoped and Ce3+-doped GdI3 crystals were reported in this paper. These GdI3:χ%Ce (χ = 0, 1, 2) crystals were grown by the vertical Bridgman growth technique in evacuated quartz crucibles. X-ray excited optical luminescence spectra of GdI3:Ce exhibit a broad emission band (450 nm-650 nm) peaking at 520 nm corresponding to 5d1→4f1 transition of Ce3+ while the undoped GdI3 crystal consists of a broad band (400 nm-600 nm) and several sharp lines peaking at 462 nm, 482 nm, 492 nm, 549 nm, 579 nm owing to the impurities ions and defects. The excitation spectra of Ce3+ doped GdI3 consist of two broad bands between 300 nm and 500 nm corresponding to 4f1→5d1 absorption of Ce3+. The other absorption peaking at 262 nm in the spectrum of GdI3:2%Ce is assigned to band-to-band exciton transition. The excitation spectrum of undoped GdI3 contains a flat absorption band from 330 to 370 nm and a broad band between 390 and 450 nm peaking at 414 nm corresponding to the absorption of the unintentionally doped Ce3+, Dy3+, Ho3+ impurities and other defects. The emission spectrum of undoped GdI3 under 332 nm excitation has the identical line peaks with the spectrum measured under X-ray excitation. The emission spectra of GdI3:2%Ce and GdI3:1%Ce show a broad band in the range of 450-750 nm with the maximum at 550 nm corresponding to 5d1→4f1 transitions of Ce3+ ion. The GdI3, GdI3:1%Ce and GdI3:2%Ce show fast principle decay time constant 73 ns, 69 ns and 58 ns respectively, besides, the undoped also shows a slow decay constant 325 ns which doesn't appear in Ce3+-doped GdI3 crystal. The energy resolutions of GdI3:χ%Ce (χ = 1, 2) measured at 662 KeV are about 3%-5% and the undoped GdI3 is 13.3%.

  15. Fucoxanthin Derivatives: Synthesis and their Chemical Properties.

    Science.gov (United States)

    Komba, Shiro; Kotake-Nara, Eiichi; Machida, Sachiko

    2015-01-01

    Novel fucoxanthin derivatives that could change the size of mixed micelles were synthesized. The mixed micelles under consideration consist of a bile acid and some additives. To change the affinity against a bile acid, we designed the synthesis of a fucoxanthin-lithocholic acid complex. Lithocholic acid is one of the bile acids. The 3-OH on lithocholic acid was protected by a levulinyl group, and the protected lithocholic acid was selectively coupled via an ester linkage to the 3-OH on fucoxanthin to obtain levulinyl-protected lithocholyl fucoxanthin (LevLF). The levulinyl group was then selectively deprotected using hydrazine to obtain a lithocholyl fucoxanthin (LF). The average sizes of the micelles that contained these compounds (fucoxanthin, LevLF, and LF) with a bile acid (sodium taurocholate) were measured. The LevLF induced larger micelles than fucoxanthin or LF. Interestingly, the addition of 1-oleoyl-rac-glycerol induced a more efficient change in the micelle size. The large micelles grew larger, and the small micelles became smaller. Triple-mixed micelles with LevLF, sodium taurocholate, and 1-oleoyl-rac-glycerol formed the largest micelle with a diameter of 68 nm. On the other hand, triple-mixed micelles using LF, sodium taurocholate, and 1-oleoyl-rac-glycerol made the smallest micelles with diameters as low as 12 nm. We also investigated the hydrolysis of these compounds with enzymes (esterase from porcine liver, lipase from porcine pancreas, and cholesterol esterase from Pseudomonas sp.). The ester linkage between the lithocholic acid and fucoxanthin of LevLF was hydrolyzed with cholesterol esterase. In addition, the intestinal absorption was examined with Caco-2 cells, and no advantageous change in absorption efficiency was observed by chemically modifying the fucoxanthin unless different micelles sizes and increasing hydrophobicity are induced.

  16. Physicochemical properties of dicesium tetravalent plutonium hexanitrate in uranium crystallization process

    Energy Technology Data Exchange (ETDEWEB)

    Nakahara, M; Koizumi, T [Nuclear Fuel Cycle Engineering Laboratories, Japan Atomic Energy Agency, 4-33 Muramatsu, Tokai-mura, Naka-gun, Ibaraki 319-1194 (Japan); Nomura, K, E-mail: nakahara.masaumi@jaea.go.jp [Advanced Nuclear System Reserch and Development Directorate, Japan Atomic Energy Agency, 4-33 Muramatsu, Tokai-mura, Naka-gun, Ibaraki 319-1194 (Japan)

    2010-03-15

    Tetravalent Pu reacts with Cs ions to form the crystalline precipitate of Cs{sub 2}Pu(NO{sub 3}){sub 6}under certain chemical conditions during the U crystallization process. The Cs{sub 2}Pu(NO{sub 3}){sub 6}precipitate reduces the decontamination factor (DF) of Cs to U in the crystal after being washed. The solubility and thermal properties of Cs{sub 2}Pu(NO{sub 3}){sub 6} were studied with the aim of providing a characterization estimate. The solubility of Cs{sub 2}Pu(NO{sub 3}){sub 6} increased with decreases in HNO{sub 3} concentration. Loss in weight of the compound caused by thermal degradation of Cs{sub 2}Pu(NO{sub 3}){sub 6} to Cs{sub 2}PuO{sub 2}(NO{sub 3}){sub 4} was observed at 245 deg. C in thermal analysis. A uranyl nitrate hexahydrate (UNH) crystal was obtained by cooling irradiated fast reactor core fuel dissolver solution. The DF of Cs decreased with increasing the HNO{sub 3} concentration of the mother liquor because more Cs{sub 2}Pu(NO{sub 3}){sub 6} precipitates with high concentration of HNO{sub 3}.

  17. Biological control of crystal texture: A widespread strategy for adapting crystal properties to function

    Energy Technology Data Exchange (ETDEWEB)

    Berman, A.; Leiserowitz, L.; Weiner, S.; Addadi, L. (Weizmann Inst. of Science, Rehovot (Israel)); Hanson, J.; Koetzle, T.F. (Brookhaven National Lab., Upton, NY (United States))

    1993-02-05

    Textures of calcite crystals from a variety of mineralized tissues belong to organisms from four phyla were examined with high-resolution synchrotron x-ray radiation. Significant differences in coherence length and angular spread were observed between taxonomic groups. Crystals from polycrystalline skeletal ensembles were more perfect than those that function as single-crystal elements. Different anistropic effects on crystal texture were observed for sea urchin and mollusk calcite crystals, whereas none was found for the foraminifer, Patellina, and the control calcite crystals. These results show that the manipulation of crystal texture in different organisms is under biological control and that crystal textures in some tissues are adapted to function. A better understanding of this apparently widespread biological phenomenon may provide new insights for improving synthetic crystal-containing materials. 18 refs., 3 figs., 1 tab.

  18. Physical and chemical properties of ice residuals during the 2013 and 2014 CLACE campaigns

    Science.gov (United States)

    Kupiszewski, Piotr; Weingartner, Ernest; Vochezer, Paul; Hammer, Emanuel; Gysel, Martin; Färber, Raphael; Fuchs, Claudia; Schnaiter, Martin; Baltensperger, Urs; Schmidt, Susan; Schneider, Johannes; Bigi, Alessandro; Toprak, Emre; Linke, Claudia; Klimach, Thomas

    2014-05-01

    The shortcomings in our understanding and, thus, representation of aerosol-cloud interactions are one of the major sources of uncertainty in climate model projections. Among the poorly understood processes is mixed-phase cloud formation via heterogeneous nucleation, and the subsequent spatial and temporal evolution of such clouds. Cloud glaciation augments precipitation formation, resulting in decreased cloud cover and lifetime, and affects cloud radiative properties. Meanwhile, the physical and chemical properties of atmospherically relevant ice nuclei (IN), the sub-population of aerosol particles which enable heterogeneous nucleation, are not well known. Extraction of ice residuals (IR) in mixed-phase clouds is a difficult task, requiring separation of the few small, freshly formed ice crystals (the IR within such crystals can be deemed representative of the original IN) not only from interstitial particles, but also from the numerous supercooled droplets which have aerodynamic diameters similar to those of the ice crystals. In order to address the difficulties with ice crystal sampling and IR extraction in mixed-phase clouds, the new Ice Selective Inlet (ISI) has been designed and deployed at the Jungfraujoch field site. Small ice crystals are selectively sampled via the inlet with simultaneous counting, sizing and imaging of hydrometeors contained in the cloud by a set of optical particle spectrometers, namely Welas optical particle counters (OPC) and a Particle Phase Discriminator (PPD). The heart of the ISI is a droplet evaporation unit with ice-covered inner walls, resulting in removal of droplets using the Wegener-Bergeron-Findeisen process, while transmitting a relatively high fraction of small ice crystals. The ISI was deployed in the winters of 2013 and 2014 at the high alpine Jungfraujoch site (3580 m.a.s.l) during the intensive CLACE field campaigns. The measurements focused on analysis of the physical and chemical characteristics of IR and the

  19. Physicochemical properties of dimethylammonium p-nitrophenolate– p-nitrophenol: A nonlinear optical crystal

    Energy Technology Data Exchange (ETDEWEB)

    Rathika, A. [Department of Physics, Noorul Islam Centre for Higher Education, Noorul Islam University, Kumaracoil 629 180 (India); Prasad, L. Guru [Departemnt of Science & Humanities, M. Kumarasamy College of Engineering, Karur (India); Raman, R. Ganapathi, E-mail: ganapathiraman83@gmail.com [Department of Physics, Noorul Islam Centre for Higher Education, Noorul Islam University, Kumaracoil 629 180 (India)

    2016-03-15

    Single crystals of Dimethylammonium p-nitrophenolate–p-nitrophenol have been grown from aqueous solution by slow evaporation solution growth technique. Unit cell parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis and the synthesized compound is crystallized in monoclinic system. Various functional groups and their vibrational frequencies were recognized from the FT-IR and FT-Raman spectrum. Thermal stability of the crystal was examined by recording the TGA/DTA curve. The grown crystal has wider transparency nature in the visible region and the lower cut-off wavelength is found at 465 nm. Mechanical property of the crystal was studied by analyzing the Vicker's microhardness measurements. The fluorescence emission from the crystal is observed at 350 nm which arise due to the presence of aromatic ring. Relative SHG conversion efficiency of the grown crystal is about 0.59 times that of KDP.

  20. Physicochemical properties of dimethylammonium p-nitrophenolate- p-nitrophenol: A nonlinear optical crystal

    Science.gov (United States)

    Rathika, A.; Prasad, L. Guru; Raman, R. Ganapathi

    2016-03-01

    Single crystals of Dimethylammonium p-nitrophenolate-p-nitrophenol have been grown from aqueous solution by slow evaporation solution growth technique. Unit cell parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis and the synthesized compound is crystallized in monoclinic system. Various functional groups and their vibrational frequencies were recognized from the FT-IR and FT-Raman spectrum. Thermal stability of the crystal was examined by recording the TGA/DTA curve. The grown crystal has wider transparency nature in the visible region and the lower cut-off wavelength is found at 465 nm. Mechanical property of the crystal was studied by analyzing the Vicker's microhardness measurements. The fluorescence emission from the crystal is observed at 350 nm which arise due to the presence of aromatic ring. Relative SHG conversion efficiency of the grown crystal is about 0.59 times that of KDP.

  1. Sensory properties and chemical composition of Sharri cheese from Kosovo

    Directory of Open Access Journals (Sweden)

    Agim Rysha

    2014-11-01

    Full Text Available Food sensory properties, analyses and chemical composition are very important because they provide information about product quality and end-user acceptance or preferences. An assessment of sensory characteristics and chemical composition of mountain sheep and cow’s-milk cheese from shepherd’s huts and industrial manufacturers in Kosovo was carried out. Consumer-oriented tests using a 9 point hedonic scale were conducted in order to determine Sharri cheese acceptability. Chemical parameters (fat content, fat content of dry matter, acidity, protein, dry matter, mineral and water content and sodium chloride content of 45-day brine cheese samples were also analyzed. Chemical and sensory assessment demonstrated large property differences. A recommendation stems from the results showing that the standardization of both artisanal and industrial production of Sharri cheese is required.

  2. The effect of milkfat melting properties on chemical and physical properties of 20% reformulated cream

    OpenAIRE

    Scott, Lisa Lenore

    1999-01-01

    The Effect of Milkfat Melting Properties on Chemical and Physical Properties of 20% Reformulated Cream Lisa L. Scott (ABSTRACT) Skim, sweet buttermilk, and butter derived aqueous phase components were used to re-emulsify low-melt and medium-melt fraction butteroils to yield 20% milkfat creams. The implications of separation temperature in obtaining components, melting point characteristics, and formulation on the chemical and physical properties of reformulated and natural crea...

  3. Influence of encapsulated functional lipids on crystal structure and chemical stability in solid lipid nanoparticles: Towards bioactive-based design of delivery systems.

    Science.gov (United States)

    Salminen, Hanna; Gömmel, Christina; Leuenberger, Bruno H; Weiss, Jochen

    2016-01-01

    We investigated the influence of physicochemical properties of encapsulated functional lipids--vitamin A, β-carotene and ω-3 fish oil--on the structural arrangement of solid lipid nanoparticles (SLN). The relationship between the crystal structure and chemical stability of the incorporated bioactive lipids was evaluated with different emulsifier compositions of a saponin-rich, food-grade Quillaja extract alone or combined with high-melting or low-melting lecithins. The major factors influencing the structural arrangement and chemical stability of functional lipids in solid lipid dispersions were their solubility in the aqueous phase and their crystallization temperature in relation to that of the carrier lipid. The results showed that the stabilization of the α-subcell crystals in the lattice of the carrier lipid is a key parameter for forming stable solid lipid dispersions. This study contributes to a better understanding of SLN as a function of the bioactive lipid. Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. The Gain Properties of 1-D Active Photonic Crystal

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The terminology 'ID frequency'(w ID) is proposed after analyzing the 1D active photonic crystal based on the transfer matrix method. The relationship between wID and the structure parameters of the photonic crystal is investigated.

  5. Frequency-Dependent Properties of Magnetic Nanoparticle Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Majetich, Sara [Carnegie Mellon Univ., Pittsburgh, PA (United States)

    2016-05-17

    In the proposed research program we will investigate the time- and frequency-dependent behavior of ordered nanoparticle assemblies, or nanoparticle crystals. Magnetostatic interactions are long-range and anisotropic, and this leads to complex behavior in nanoparticle assemblies, particularly in the time- and frequency-dependent properties. We hypothesize that the high frequency performance of composite materials has been limited because of the range of relaxation times; if a composite is a dipolar ferromagnet at a particular frequency, it should have the advantages of a single phase material, but without significant eddy current power losses. Arrays of surfactant-coated monodomain magnetic nanoparticles can exhibit long-range magnetic order that is stable over time. The magnetic domain size and location of domain walls is governed not by structural grain boundaries but by the shape of the array, due to the local interaction field. Pores or gaps within an assembly pin domain walls and limit the domain size. Measurements of the magnetic order parameter as a function of temperature showed that domains can exist at high temoerature, and that there is a collective phase transition, just as in an exchange-coupled ferromagnet. Dipolar ferromagnets are not merely of fundamental interest; they provide an interesting alternative to exchange-based ferromagnets. Dipolar ferromagnets made with high moment metallic particles in an insulating matrix could have high permeability without large eddy current losses. Such nanocomposites could someday replace the ferrites now used in phase shifters, isolators, circulators, and filters in microwave communications and radar applications. We will investigate the time- and frequency-dependent behavior of nanoparticle crystals with different magnetic core sizes and different interparticle barrier resistances, and will measure the magnetic and electrical properties in the DC, low frequency (0.1 Hz - 1 kHz), moderate frequency (10 Hz - 500

  6. Origin of electronic properties of PbGa{sub 2}Se{sub 4} crystal: Experimental and theoretical investigations

    Energy Technology Data Exchange (ETDEWEB)

    Babuka, T. [Institute of Physics, Jan Dlugosz University in Czestochowa, Al. Armii Krajowej 13/15, 42-200 Czestochowa (Poland); Kityk, I.V. [Faculty of Electrical Engineering, Czestochowa University Technology, Al. Armii Krajowej 17, 42-201 Czestochowa (Poland); Department of Solid State Physics, Eastern European National University, Voli 13 Ave., Lutsk 43205 (Ukraine); Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Eastern European National University, Voli 13 Ave., Lutsk 43205 (Ukraine); Myronchuk, G. [Department of Solid State Physics, Eastern European National University, Voli 13 Ave., Lutsk 43205 (Ukraine); Khyzhun, O.Y. [Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, Kyiv 03142 (Ukraine); Fedorchuk, A.O. [Lviv National University of Veterinary Medicine and Biotechnologies, Department of Inorganic and Organic Chemistry, Pekarska St. 50, 79010 Lviv (Ukraine); Makowska-Janusik, M., E-mail: m.makowska@ajd.czest.pl [Institute of Physics, Jan Dlugosz University in Czestochowa, Al. Armii Krajowej 13/15, 42-200 Czestochowa (Poland)

    2015-06-05

    Graphical abstract: In the presented work the structural and electronic properties of the PbGa{sub 2}Se{sub 4} single crystal were investigated experimentally as well as theoretically. The XPS spectra, Urbach’s rule and steepness parameters of PbGa{sub 2}Se{sub 4} single crystal have been investigated for the first time. The quantum chemical calculations were also never performed before for the studied structure. The theoretically obtained data help to explain the properties of material. - Highlights: • Urbach’s rule and steepness parameters for PbGa{sub 2}Se{sub 4} crystals explored for the first time. • Non-reactivity of the PbGa{sub 2}Se{sub 4} surface was established by XPS. • DFT approach shows its efficiency to describe electronic properties of PbGa{sub 2}Se{sub 4}. • Electronic parameters are affected by existence of electron–phonon interaction. - Abstract: The PbGa{sub 2}Se{sub 4} crystal is a promising material for optoelectronic applications. It is caused by coexistence of the large polarized Pb cations and a huge contribution of anharmonic phonon subsystem caused by chalcogenide anions. In the present work the electronic and optical properties of the mentioned material were studied theoretically as well as experimentally by optical and X-ray photoelectron spectroscopy methods. The DFT approach has been used for the quantum chemical electronic properties calculations. Urbach rule and steepness parameters of the PbGa{sub 2}Se{sub 4} crystal have been evaluated for the first time. These parameters and Urbach energies increase with increasing temperature of the samples that is typical for the semiconducting materials. The XPS measurements of the investigated crystal reveal that all the spectral features are originated from core-level states of the constituent elements. Simultaneously these results also confirm non-reactivity of the PbGa{sub 2}Se{sub 4} surface. However, the titled single crystal possesses a number of intrinsic structural

  7. Characteristic properties of crystals. Their demonstration; Proprietes caracteristiques des cristaux. Mise en evidence

    Energy Technology Data Exchange (ETDEWEB)

    Lesueur, C

    1951-03-01

    The characteristic properties of scintillation crystals discussed are the photon spectrum emitted by passage of a particle, number of these photons, transparence of the crystal to its own fluorescence radiation, and decay period of the fluorescence. The experimental apparatus, consisting of photomultiplier tube, preamplifier, amplifier, discriminator, and scaler, is described, and the experimental evaluation of the characteristic properties is discussed. Results of tests on various crystals with {alpha} and {beta} radiations are reported graphically.

  8. A Scanning Hologram Recorded by Phase Conjugate Property of Nonlinear Crystals

    DEFF Research Database (Denmark)

    Zi-Liang, Ping; Dalsgaard, Erik

    1996-01-01

    A methode of recording a scanning hologram with phase conjugate property of nonlinear crystal is provided. The principle of recording, setup and experiments are given.......A methode of recording a scanning hologram with phase conjugate property of nonlinear crystal is provided. The principle of recording, setup and experiments are given....

  9. Mechanical properties of fat dispersions prepared in a mechanical crystallizer

    NARCIS (Netherlands)

    Kloek, W.; Vliet, van T.; Walstra, P.

    2005-01-01

    Dispersions of hydrogenated palm oil (HP) in sunflower oil were crystallized in a scraped-surface heat exchanger (SSHE), where local strain rates are high. The HP crystallized completely or partially under shear, possibly followed by crystallization at rest. The Young's moduli scaled with the fracti

  10. Crystal growth and transport properties of CuAlO2 single crystal

    Science.gov (United States)

    Brahimi, R.; Rekhila, G.; Trari, M.; Bessekhouad, Y.

    2014-12-01

    The transport properties of the delafossite CuAlO2 single crystal, grown by the flux method, are confined in ∞[AlO2] layers extending in the (001) plans. The dielectric properties are measured up to 490 K in the frequency range (102-105 Hz). The small variation of the dielectric loss tan(δ) is attributed to the wide space charge region. The linear plot log (conductivity) vs. 1000/ T follows an Arrhenius type law and the results are discussed in terms of electron hopping among localized states. The activation energy (0.18 eV) gives an effective mass of 16 m 0 indicating that the levels in the vicinity of the Fermi level are strongly localized. Hence, the increase of the conductivity (σ) results from a thermal activation of the mobility (μ300 K = 1.2 × 10-5 cm-2 V-1 s-1). The sign of hole like small polarons is that of p type carriers originating from oxygen intercalation. The thermopower is little temperature dependent and characteristic of non degenerate conductivity with a low holes concentration and a large concentration of surface states within the gap region.

  11. Nanodispersed Oxides-Plasma-Chemical Synthesis and Properties

    Institute of Scientific and Technical Information of China (English)

    Gheorghi VISSOKOV; Katerina ZAHARIEVA

    2007-01-01

    We discuss the plasma-chemical synthesis and the properties of transition metals oxides, Al2O3, SiO2, rare-earth oxides, oxides for ceramics and metal-ceramics, and oxides used as catalysts. Bearing in mind the indisputable advantages of using plasma-chemically synthesized nanodispersed oxides for the needs of various industrial fields, we set out to review the articles published in the past few years devoted to the problems of plasma-chemical synthesis and characterization of nanodispersed oxides.

  12. Correlating dynamic amino acid properties with success rate of crystallization of proteins from Bacteroides vulgatus

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Shaomin [State Key Laboratory of Non-food Biomass Enzyme Technology, National Engineering Research Center for Non-food Biorefinery, Guangxi Key Laboratory of Biorefinery, Guangxi Academy of Sciences, 98 Daling Road, Nanning, Guangxi, 530007 (China); Wu, Guang [State Key Laboratory of Non-food Biomass Enzyme Technology, National Engineering Research Center for Non-food Biorefinery, Guangxi Key Laboratory of Biorefinery, Guangxi Academy of Sciences, 98 Daling Road, Nanning, Guangxi, 530007 (China); DreamSciTech Consulting, 301, Building 12, Nanyou A-zone, Jiannan Road, Shenzhen, Guangdong, 518054 (China)

    2012-05-15

    To enhance the success rate of protein crystallization, many studies were conducted to determine the relationship between amino acid properties and the success rate of protein crystallization. Although those were successful, new efforts should be made to search for the new factors, which affect protein crystallization. In this study, two dynamic amino acid properties were used to correlate with the success rate of crystallization of proteins from Bacteroides vulgatus, because the amino acid properties used in previous studies were steady. As previously done, logistic regression and neural network were used to model that relationship, and the results were compared against those obtained from each of 532 amino acid properties, which severed as benchmark. The results demonstrated that dynamic amino acid properties should be taken into consideration of protein crystallization. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Comparison of ab initio molecular properties of EDO-TTF with the properties of the (EDO-TTF) 2PF 6 crystal

    Science.gov (United States)

    Linker, Gerrit-Jan; Loosdrecht, Paul H. M. van; Duijnen, Piet van; Broer, Ria

    2010-03-01

    We performed ab initio quantum chemical calculations for the geometrical and electronic structure of the EDO-TTF (ethylenedioxy-tetrathiafulvalene) molecule using HF, CASSCF and DFT methods. We compare these in vacuo results with the properties of the (EDO-TTF) 2PF 6 crystal at near room temperature. We demonstrate that, by bending and charging the molecule in vacuum, the deformation that is thought to be the origin of charge ordering in this material is an inherent property of the EDO-TTF molecule. We further show that deformations can be readily made at ambient temperatures.

  14. Ferroelectric properties of dysprosium-doped Bi4Ti3O12 thin films crystallized in various atmospheres

    Institute of Scientific and Technical Information of China (English)

    CHENG Chuan-pin; TANG Ming-hua; YE Zhi; ZHOU Yic-hun; ZHENG Xue-jun; ZHONG Xiang-li; HU Zeng-shun

    2006-01-01

    Dysprosium-doped Bi4Ti3O12 (Bi3.4Dy0.6Ti3O12,BDT) ferroelectric thin films were deposited on Pt(111)/Ti/SiO2/Si(111) substrates by chemical solution deposition (CSD) and crystallized in nitrogen,air and oxygen atmospheres,respectively. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used to identify the crystal structure,the surface and cross-section morphology of the deposited ferroelectric films. The results show that the crystallization atmosphere has significant effect on determining the crystallization and ferroelectric properties of the BDT films. The film crystallized in nitrogen at a relatively low temperature of 650 ℃,exhibits excellent crystallinity and ferroelectricity with a remanent polarization of 2Pr = 24.9 μC/cm2 and a coercive field of 144.5 kV/cm. While the films annealed in air and oxygen at 650 ℃ do not show good crystallinity and ferroelectricity until they are annealed at 700 ℃. The structure evolution and ferroelectric properties of BDT thin films annealed under different temperatures (600-750 ℃) were also investigated. The crystallinity of the BDT films is improved and the average grain size increases when the annealing temperature increases from 600 ℃ to 750 ℃ at an interval of 50 ℃. However,the polarization of the films is not monotonous function of the annealing temperature.

  15. Crystallization evolution, microstructure and properties of sewage sludge-based glass-ceramics prepared by microwave heating.

    Science.gov (United States)

    Tian, Yu; Zuo, Wei; Chen, Dongdong

    2011-11-30

    A Microwave Melting Reactor (MMR) was designed in this study which improved the microwave adsorption of sewage sludge to prepare glass-ceramics. Differential scanning calorimetry (DSC), X-ray diffraction (XRD), and scanning electron microscopy (SEM) were used for the study of crystallization behavior and microstructure of the developed glass-ceramics. DSC and XRD analysis revealed that crystallization of the nucleated specimen in the region of 900-1000°C resulted in the formation of two crystalline phases: anorthite and wollastonite. When the crystallization temperature increased from 900 to 1000°C, the tetragonal wollastonite grains were subjected to tensile microstresses, causing the cracking of crystal. Al ions substituted partially Si ions and occupied tetrahedral sites, giving rise to the formation of anorthite. The relationship between microwave irradiation and crystal growth was studied and the result indicated that the microwave selective heating suppressed the crystal growth, giving apparent improvements in the properties of the glass-ceramics. The glass-ceramics products exhibited bending strength of 86.5-93.4 MPa, Vickers microhardness of 6.12-6.54 GPa and thermal expansion coefficient of 5.29-5.75 × 10(-6)/°C. The best chemical durability in acid and alkali solutions was 1.32-1.61 and 0.41-0.58 mg/cm(2), respectively, showing excellent durability in alkali solution. Copyright © 2011 Elsevier B.V. All rights reserved.

  16. Structure and properties of Li-rich Zn-doped LiNbO3 Crystal

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The Li-rich Zn-doped LiNbO3 (LN) crystals were grown by the Czochralski method. The structure of the crystals was measured by ultraviolet-visible absorption spectra. The results indicated that the Li-rich Zn-doped LN crystals had the same characteristics as the pure LN crystal. After Zn2+ entered into the lattice of Li-rich Zn-doped LN crystal, it replaced NbLi firstly. When there was no NbLi, Zn2+ replaced Li+ then. The second harmonic generation (SHG) property of Li-rich Zn-doped LiNbO3 crystal was measured. The results showed that the SHG conversation efficiency of Li-rich Zn-doped LiNbO3 crystals was higher than that of Zn-doped LiNbO3 crystals.

  17. EVALUATION OF CHEMICALS INCORPORATED WOOD FIBRE CEMENT MATRIX PROPERTIES

    Directory of Open Access Journals (Sweden)

    MST. SADIA MAHZABIN

    2013-08-01

    Full Text Available Wood fibre cement (WFC boards are well established commercially and widely used in many developed countries. The combination of the properties of two important materials, i.e., cement, and previously treated fibrous materials like wood or agricultural residues; which made up the board, contributed in the performance of the board as building material. In this work, the WFC matrix (WFCM samples are produced to determine the physical properties of WFCM such as the density and water absorption. The wood fibres are incorporated/treated with three different chemical additives; calcium formate (Ca(HCOO2, sodium silicate (Na2.SiO3 and magnesium chloride (MgCl2 prior to mixing with cement. The mechanical properties of the WFCM, with or without chemicals treatment of fibres, such as the compressive strength and flexural strength are evaluated. Three wood/cement ratios (50:50, 40:60, 30:70 are used and the percentages of water and accelerator were 80% and 3% based on the cement weight, respectively. Three moisture-conditioned samples; accelerated aging, dry and wet conditions are used for flexural test. The results reveal that the wood/cement ratio, chemical additives and moisture content had a marked influence on the physical and mechanical properties of the matrix. Finally, it has been shown that the 40:60 wood/cement ratio samples with prior chemicals treatment of the fibres that undergo accelerated aging conditioning achieve higher strength then dry and wet-conditioned boards.

  18. Physical, chemical and electrochemical properties of pure and doped ceria

    DEFF Research Database (Denmark)

    Mogensen, Mogens Bjerg; Sammes, N.M.; Tompsett, G.A.

    2000-01-01

    This paper gives an extract of available data on the physical, chemical, electrochemical and mechanical properties of pure and doped ceria, predominantly in the temperature range from 200 to 1000 degrees C. Several areas are pointed out where further research is needed in order to make a better...

  19. Physical, Chemical, Functional and Sensory Properties of the 'White ...

    African Journals Online (AJOL)

    The result of the chemical analysis shows the moisture, protein, fat. ... The functional properties were also analyzed and the results for the water and oil ... Also, the swelling index, foam capacity, emulsion capacity and wettability were 223 ml/ml ...

  20. Physico-chemical properties of Safou (Dacryodes edulis) fruits ...

    African Journals Online (AJOL)

    SARAH

    2016-09-30

    Sep 30, 2016 ... 2016 Physico-chemical properties of Safou (Dacryodes edulis) fruits grown in. Côte d'Ivoire .... test, 5 trees were selected randomly and separately from the CNRA ... of the crucible and its content on ignition. Carbohydrate.

  1. Comparative Studies of Physico-chemical Properties of Some ...

    African Journals Online (AJOL)

    Akorede

    ABSTRACT: The aim of this study was to evaluate some physico-chemical properties of four major general purpose ... In the year 2006 alone, four cases of such collapses .... (ASTM, 1986). The percentage SiO2 was calculated using. Eqn (11).

  2. Linkages between aggregate formation, porosity and soil chemical properties

    NARCIS (Netherlands)

    Regelink, I.C.; Stoof, C.R.; Rousseva, S.; Weng, L.; Lair, G.J.; Kram, P.; Nikolaidis, N.P.; Kercheva, M.; Banwart, S.; Comans, R.N.J.

    2015-01-01

    Linkages between soil structure and physical–chemical soil properties are still poorly understood due to the wide size-range at which aggregation occurs and the variety of aggregation factors involved. To improve understanding of these processes, we collected data on aggregate fractions, soil

  3. Surface Chemical Properties of Colloids in Main Soils of China

    Institute of Scientific and Technical Information of China (English)

    MAYI-JIE; YUANCHAO-LIANG

    1991-01-01

    Surface chemical properties of soil colloids are the important factor affecting soil fertility and genesis.To provide scientific basis for soil genetic classification,promotion of soil fertility and reasonable fertilizqation,the specific surface area and electric charge of soil colloids in relation to clay minerals and organic matter are further discussed on the basis of the results obtained from the studies on surface chemical properties of soil colloids in five main soils of China.Results from the studies show that the effect of clay minerals and organic matter on the surface chemical properties of soil colloids is very complicated because the siloxane surface,hydrated oxide surface and organic matter surface do not exist separately,but they are always mixed together and influenced each other.The understanding of the relationship among clay minerals,organic matter and surface chemical properties of soil colloids depends upon further study of the relevant disciplines of soil science,especially the study on the mechanisms of organo-mineral complexes.

  4. Composition and Thermodynamic Properties of Air in Chemical Equilibrium

    Science.gov (United States)

    Moeckel, W E; Weston, Kenneth C

    1958-01-01

    Charts have been prepared relating the thermodynamic properties of air in chemical equilibrium for temperatures to 15,000 degrees k and for pressures 10(-5) to 10 (plus 4) atmospheres. Also included are charts showing the composition of air, the isentropic exponent, and the speed of sound. These charts are based on thermodynamic data calculated by the National Bureau of Standards.

  5. 40 CFR 716.50 - Reporting physical and chemical properties.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Reporting physical and chemical properties. 716.50 Section 716.50 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT HEALTH AND SAFETY DATA REPORTING General Provisions § 716.50 Reporting physical and...

  6. Tuning the dielectric properties of thiourea analog crystals for efficient nonlinear optical applications

    Energy Technology Data Exchange (ETDEWEB)

    Sabari Girisun, T.C. [Department of Physics, Bishop Heber College, Tiruchirappalli 620 017, Tamil Nadu (India); School of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu (India); Dhanuskodi, S., E-mail: dhanus2k3@yahoo.com [School of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu (India)

    2010-01-15

    Materials with low dielectric constant have attracted a great deal of interest in the field of nonlinear applications and microelectronic industry. Metal complexes of thiourea with group II transition metals (Zn, Cd) as central atom and period III elements (S, Cl) were synthesized by chemical reaction method and single crystals were grown from aqueous solution by slow evaporation method. By parallel plate capacitor technique, the dielectric response, dissipation factor, ac conductivity and impedance of virgin and metal complexes have been studied in the frequency (100 Hz to 5 MHz) and temperature (303-423 K) ranges. Metal complexes of thiourea with cadmium substitute have a low dielectric constant less than 10. Also the presence of chlorine in the metal complex induces noncentro symmetric structure. Hence the role of group II transition metals and period III elements in tuning the dielectric properties for efficient nonlinear applications has been studied.

  7. Physico-chemical properties of probiotic yoghurt produced with transglutaminase

    Directory of Open Access Journals (Sweden)

    Milanović Spasenija D.

    2007-01-01

    Full Text Available The effect of different concentration of transglutaminase - TG (0.02%, 0.06% and 0.12% on physico-chemical properties of probiotic yoghurt was investigated. Two series of yoghurt were manufactured on a laboratory scale from pasteurised skim milk (0.1 % w/w fat. Series I was produced with TGase activation during a period of 2 h at 40°C, while series II was produced without enzyme activation. Then, the adequate quantities of TGase and probiotic starter culture ABT-4 (Chr. Hansen A/S Denmark were added. Chemical composition, physico-chemical properties (water holding capacity and whey separation and sensory characteristics of yoghurt samples were determined after production and during 5 days of storage. Addition of TGase to milk (direct or after activation for probiotic yoghurt manufacture improved its overall characteristics. Activation of TG in yoghurt production increases water holding capacity as well as decreases syneresis during the storage.

  8. Structural and electronic properties of Diisopropylammonium bromide molecular ferroelectric crystal

    Science.gov (United States)

    Alsaad, A.; Qattan, I. A.; Ahmad, A. A.; Al-Aqtash, N.; Sabirianov, R. F.

    2015-10-01

    We report the results of ab-initio calculations based on Generalized Gradient Approximation (GGA) and hybrid functional (HSE06) of electronic band structure, density of states and partial density of states to get a deep insight into structural and electronic properties of P21 ferroelectric phase of Diisopropylammonium Bromide molecular crystal (DIPAB). We found that the optical band gap of the polar phase of DIPAB is ∼ 5 eV confirming it as a good dielectric. Examination of the density of states and partial density of states reveal that the valence band maximum is mainly composed of bromine 4p orbitals and the conduction band minimum is dominated by carbon 2p, carbon 2s, and nitrogen 2s orbitals. A unique aspect of P21 ferroelectric phase is the permanent dipole within the material. We found that P21 DIPAB has a spontaneous polarization of 22.64 consistent with recent findings which make it good candidate for the creation of ferroelectric tunneling junctions (FTJs) which have the potential to be used as memory devices.

  9. Unusual magnetotransport properties in a FeAs single crystal

    Science.gov (United States)

    Khim, Seunghyun; Gillig, Matthias; Klingeler, Rüdiger; Wurmehl, Sabine; Büchner, Bernd; Hess, Christian

    2016-05-01

    We have investigated the magnetoresistance (MR) and Hall resistivity properties of a FeAs single crystal which exhibits magnetic order below TN = 69 K. We observe nonlinear Hall resistivity and linear MR in the presence of magnetic-order-connected Fermi surface reconstruction. The analysis of the magnetotransport data using a two-carrier model suggests the emergence of an additional minor hole Fermi surface which coexists with major electron carriers below TN. The origin of the linear MR, however, remains inconsistent with current explanations based on the electronic band structure, i.e., the quantum linear MR model from linearly dispersive Dirac cones and linear MR as a result from strong velocity changes of the cyclotron motion near nested Fermi surfaces. While a macroscopic inhomogeneity in a mobility distribution may cause the linear MR as widely observed in other semimetals with high mobilities, the spiral magnetic order of FeAs seems to ask for an alternative description which takes the specific magnetic order and details of the electronic structure of FeAs as well as a possible entanglement between them into account.

  10. Transmission properties of one-dimensional ternary plasma photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Shiveshwari, Laxmi [Department of Physics, K. B. Womens' s College, Hazaribagh 825 301 (India); Awasthi, S. K. [Department of Physics and Material Science and Engineering, Jaypee Institute of Information Technology, Noida 201 304 (India)

    2015-09-15

    Omnidirectional photonic band gaps (PBGs) are found in one-dimensional ternary plasma photonic crystals (PPC) composed of single negative metamaterials. The band characteristics and transmission properties are investigated through the transfer matrix method. We show that the proposed structure can trap light in three-dimensional space due to the elimination of Brewster's angle transmission resonance allowing the existence of complete PBG. The results are discussed in terms of incident angle, layer thickness, dielectric constant of the dielectric material, and number of unit cells (N) for TE and TM polarizations. It is seen that PBG characteristics is apparent even in an N ≥ 2 system, which is weakly sensitive to the incident angle and completely insensitive to the polarization. Finite PPC could be used for multichannel transmission filter without introducing any defect in the geometry. We show that the locations of the multichannel transmission peaks are in the allowed band of the infinite structure. The structure can work as a single or multichannel filter by varying the number of unit cells. Binary PPC can also work as a polarization sensitive tunable filter.

  11. Crystal growth and comparison of vibrational and thermal properties of semi-organic nonlinear optical materials

    Indian Academy of Sciences (India)

    S Gunasekaran; G Anand; R Arun Balaji; J Dhanalakshmi; S Kumaresan

    2010-10-01

    Single crystals of urea thiourea mercuric sulphate (UTHS) and urea thiourea mercuric chloride (UTHC), semi-organic nonlinear optical materials, were grown by low-temperature solution growth technique by slow evaporation method using water as the solvent. Good quality single crystals were grown within three weeks. The nonlinear nature of the crystals was confirmed by SHG test. The UV–Vis spectrum showed the transmitting ability of the crystals in the entire visible region. FTIR spectrum was recorded and vibrational assignments were made. The degree of dopant inclusion was ascertained by AAS. The TGA–DTA studies showed the thermal properties of the crystals.

  12. Growth, structure, spectral properties and crystal-field analysis of monoclinic Nd:YNbO4 single crystal

    Science.gov (United States)

    Ding, Shoujun; Zhang, Qingli; Gao, Jinyun; Liu, Wenpeng; Luo, Jianqiao; Sun, Dunlu; Sun, Guihua; Wang, Xiaofei

    2016-12-01

    A Nd:YNbO4 single crystal was successfully grown by Czochralski (Cz) method, its structural and spectroscopic properties were investigated. The X-ray rocking curve of the (010) diffraction face of Nd:YNbO4 crystal was measured, the full width at half maximum (FWHM) of this diffraction peak is 0.05°, which indicates a high crystalline quality of the as-grown crystal. Its lattice parameters, atomic coordinates and so on were obtained by Rietvield refinement to X-ray diffraction data. According to the Archimedes drainage method, the crystal density of Nd:YNbO4 is calculated to be 5.4 g/cm3. The Mohr‧s hardness value along (010) face was determined to be 6.0. The transmission spectrum along (010) face at room temperature was recorded and the excitation and emission spectra at 8 K were measured. Photoluminescence peaks of Nd:YNbO4 were assigned, and the crystal-field splitting of Nd3+ in YNbO4 was obtained. The fluorescence lifetime of the 4F3/2→4I11/2 transition of Nd3+ in YNbO4 is fitted to be 152 μs These spectroscopic and energy splitting data give an important reference for the research of laser property of Nd:YNbO4 crystal.

  13. Growth, structure, spectral properties and crystal-field analysis of monoclinic Nd:YNbO{sub 4} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Shoujun [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Key Laboratory of Photonic Devices and Materials, Hefei 230031 (China); University of Science and Technology of China, Hefei 230026 (China); Zhang, Qingli, E-mail: zql@aiofm.ac.cn [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Key Laboratory of Photonic Devices and Materials, Hefei 230031 (China); Gao, Jinyun; Liu, Wenpeng; Luo, Jianqiao; Sun, Dunlu; Sun, Guihua; Wang, Xiaofei [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Key Laboratory of Photonic Devices and Materials, Hefei 230031 (China)

    2016-12-15

    A Nd:YNbO{sub 4} single crystal was successfully grown by Czochralski (Cz) method, its structural and spectroscopic properties were investigated. The X-ray rocking curve of the (010) diffraction face of Nd:YNbO{sub 4} crystal was measured, the full width at half maximum (FWHM) of this diffraction peak is 0.05°, which indicates a high crystalline quality of the as-grown crystal. Its lattice parameters, atomic coordinates and so on were obtained by Rietvield refinement to X-ray diffraction data. According to the Archimedes drainage method, the crystal density of Nd:YNbO{sub 4} is calculated to be 5.4 g/cm{sup 3}. The Mohr′s hardness value along (010) face was determined to be 6.0. The transmission spectrum along (010) face at room temperature was recorded and the excitation and emission spectra at 8 K were measured. Photoluminescence peaks of Nd:YNbO{sub 4} were assigned, and the crystal-field splitting of Nd{sup 3+} in YNbO{sub 4} was obtained. The fluorescence lifetime of the {sup 4}F{sub 3/2}→{sup 4}I{sub 11/2} transition of Nd{sup 3+} in YNbO{sub 4} is fitted to be 152 μs These spectroscopic and energy splitting data give an important reference for the research of laser property of Nd:YNbO{sub 4} crystal.

  14. Phase-space properties of two-dimensional elastic phononic crystals and anharmonic effects in nano-phononic crystals

    Science.gov (United States)

    Swinteck, Nichlas Z.

    This dissertation contains research directed at investigating the behavior and properties of a class of composite materials known as phononic crystals. Two categories of phononic crystals are explicitly investigated: (I) elastic phononic crystals and (II) nano-scale phononic crystals. For elastic phononic crystals, attention is directed at two-dimensional structures. Two specific structures are evaluated (1) a two-dimensional configuration consisting of a square array of cylindrical Polyvinylchloride inclusions in air and (2) a two-dimensional configuration consisting of a square array of steel cylindrical inclusions in epoxy. For the first configuration, a theoretical model is developed to ascertain the necessary band structure and equi-frequency contour features for the realization of phase control between propagating acoustic waves. In contrasting this phononic crystal with a reference system, it is shown that phononic crystals with equifrequency contours showing non-collinear wave and group velocity vectors are ideal systems for controlling the phase between propagating acoustic waves. For the second configuration, it is demonstrated that multiple functions can be realized of a solid/solid phononic crystal. The epoxy/steel phononic crystal is shown to behave as (1) an acoustic wave collimator, (2) a defect-less wave guide, (3) a directional source for elastic waves, (4) an acoustic beam splitter, (5) a phase-control device and (6) a k-space multiplexer. To transition between macro-scale systems (elastic phononic crystals) and nano-scale systems (nano-phononic crystals), a toy model of a one-dimensional chain of masses connected with non-linear, anharmonic springs is utilized. The implementation of this model introduces critical ideas unique to nano-scale systems, particularly the concept of phonon mode lifetime. The nano-scale phononic crystal of interest is a graphene sheet with periodically spaced holes in a triangular array. It is found through equilibrium

  15. Piezoelectric Ca3NbGa3Si2O14 crystal: crystal growth, piezoelectric and acoustic properties

    Science.gov (United States)

    Roshchupkin, Dmitry; Ortega, Luc; Plotitcyna, Olga; Erko, Alexei; Zizak, Ivo; Vadilonga, Simone; Irzhak, Dmitry; Emelin, Evgenii; Buzanov, Oleg; Leitenberger, Wolfram

    2016-08-01

    Ca3NbGa3Si2O14 (CNGS), a five-component crystal of lanthanum-gallium silicate group, was grown by the Czochralski method. The parameters of the elementary unit cell of the crystal were measured by powder diffraction. The independent piezoelectric strain coefficients d{}_{11} and d_{14} were determined by the triple-axis X-ray diffraction in the Bragg and Laue geometries. Excitation and propagation of surface acoustic waves (SAW) were studied by high-resolution X-ray diffraction at BESSY II synchrotron radiation source. The velocity of SAW propagation and power flow angles in the Y-, X- and yxl/{+}36°-cuts of the CNGS crystal were determined from the analysis of the diffraction spectra. The CNGS crystal was found practically isotropic by its acoustic properties.

  16. Chemically selective coated quartz-crystal-microbalance (QCM) array for detection of volatile organic chemicals

    Science.gov (United States)

    Schneider, Thomas W.; Frye-Mason, Gregory C.; Martin, Stephen J.; Spates, James J.; Bohuszewicz, Teresa V.; Osbourn, Gordon C.; Bartholomew, John W.

    1998-12-01

    Liquid flow cells have been fabricated to prepare an array of QCMs operating simultaneously for detection and identification of VOCs in water. Two signals, a frequency response and a damping voltage response, were obtained per resonator. A blank QCM was used as a reference to account for changes in liquid density and viscosity. Nine different polymer coatings applied using a spin coat technique have been examined for VOC response under liquid flow conditions. A matrix of three classes of VOCs were examined for each coating with four chemicals in each class. The three classes of VOCs are polar, nonpolar and chlorinated. A pattern recognition technique, called visually empirical region of influence, was used to cluster the responses in n- dimensional space. Chemicals within a class varying by only one methyl group (e.g., toluene and xylene) are easily discriminated using only two different coatings with three different QCM responses. All chemicals were easily separated and detected with a total of 5 films and 6 responses with >99% accuracy.

  17. Synthesis of few layer single crystal graphene grains on platinum by chemical vapour deposition

    Institute of Scientific and Technical Information of China (English)

    S. Karamat; S. Sonuşen; Ü. Çelik; Y. Uysallı; E. Özgönül; A. Oral

    2015-01-01

    The present competition of graphene electronics demands an efficient route which produces high quality and large area graphene. Chemical vapour deposition technique, where hydrocarbons dissociate in to active carbon species and form graphene layer on the desired metal catalyst via nucleation is considered as the most suitable method. In this study, single layer graphene with the presence of few layer single crystal graphene grains were grown on Pt foil via chemical vapour deposition. The higher growth temperature changes the surface morphology of the Pt foil so a delicate process of hydrogen bubbling was used to peel off graphene from Pt foil samples with the mechanical support of photoresist and further transferred to SiO2/Si substrates for analysis. Optical microscopy of the graphene transferred samples showed the regions of single layer along with different oriented graphene domains. Two type of interlayer stacking sequences, Bernal and twisted, were observed in the graphene grains. The presence of different stacking sequences in the graphene layers influence the electronic and optical properties;in Bernal stacking the band gap can be tunable and in twisted stacking the overall sheet resistance can be reduced. Grain boundaries of Pt provides low energy sites to the carbon species, therefore the nucleation of grains are more at the boundaries. The stacking order and the number of layers in grains were seen more clearly with scanning electron microscopy. Raman spectroscopy showed high quality graphene samples due to very small D peak. 2D Raman peak for single layer graphene showed full width half maximum (FWHM) value of 30 cm ? 1. At points A, B and C, Bernal stacked grain showed FWHM values of 51.22, 58.45 and 64.72 cm ? 1, while twisted stacked grain showed the FWHM values of 27.26, 28.83 and 20.99 cm ? 1, respectively. FWHM values of 2D peak of Bernal stacked grain showed an increase of 20–30 cm ? 1 as compare to single layer graphene which showed its

  18. Synthesis of few layer single crystal graphene grains on platinum by chemical vapour deposition

    Directory of Open Access Journals (Sweden)

    S. Karamat

    2015-08-01

    Full Text Available The present competition of graphene electronics demands an efficient route which produces high quality and large area graphene. Chemical vapour deposition technique, where hydrocarbons dissociate in to active carbon species and form graphene layer on the desired metal catalyst via nucleation is considered as the most suitable method. In this study, single layer graphene with the presence of few layer single crystal graphene grains were grown on Pt foil via chemical vapour deposition. The higher growth temperature changes the surface morphology of the Pt foil so a delicate process of hydrogen bubbling was used to peel off graphene from Pt foil samples with the mechanical support of photoresist and further transferred to SiO2/Si substrates for analysis. Optical microscopy of the graphene transferred samples showed the regions of single layer along with different oriented graphene domains. Two type of interlayer stacking sequences, Bernal and twisted, were observed in the graphene grains. The presence of different stacking sequences in the graphene layers influence the electronic and optical properties; in Bernal stacking the band gap can be tunable and in twisted stacking the overall sheet resistance can be reduced. Grain boundaries of Pt provides low energy sites to the carbon species, therefore the nucleation of grains are more at the boundaries. The stacking order and the number of layers in grains were seen more clearly with scanning electron microscopy. Raman spectroscopy showed high quality graphene samples due to very small D peak. 2D Raman peak for single layer graphene showed full width half maximum (FWHM value of 30 cm−1. At points A, B and C, Bernal stacked grain showed FWHM values of 51.22, 58.45 and 64.72 cm−1, while twisted stacked grain showed the FWHM values of 27.26, 28.83 and 20.99 cm−1, respectively. FWHM values of 2D peak of Bernal stacked grain showed an increase of 20–30 cm−1 as compare to single layer graphene

  19. Crystal growth and optical properties of 4-aminobenzophenone (ABP)

    Science.gov (United States)

    Li, Zhengdong; Wu, Baichang; Su, Genbo; Huang, Gongfan

    1997-02-01

    Bulk crystals of 4-aminobenzophenone (ABP) were grown from organic solution. The crystal structure was determined by X-ray analysis. The refractive indices were determined by the method of prism minimum deviation. Some effective nonlinear-optical coefficients deff were measured. A blue second-harmonic emission with wavelengths of 433 and 460 nm were observed during laser diode pumping.

  20. Infrared properties of doped and irradiated NaCl crystals

    Energy Technology Data Exchange (ETDEWEB)

    Izvekov, V.P.; Pungor, E. (Budapesti Mueszaki Egyetem (Hungary). Altalanos es Analitikai Tanszek); Gyoergyi, T.; Pungor, E. (Orszagos Frederic Joliot-Curie Sugarbiologiai es Sugaregeszseguegyi Kutato Intezet, Budapest (Hungary))

    1982-06-01

    Infrared spectra of X-ray irradiated NaCl crystals doped with Ca/sup 2 +/ and Sr/sup 2 +/ ions are presented. The localized modes of the hydrogen impurities in doped NaCl crystals and their changes induced by radiation have been studied.

  1. Physico-Chemical Properties of Kaolin-Organic Acid

    Directory of Open Access Journals (Sweden)

    Yeo S.W.

    2017-01-01

    Full Text Available Soil with more than 20% of organic content is classified as organic soil in Malaysia. Contents of organic soil consist of different types of organic and inorganic matter. Each type of organic matter has its own characteristic and its effect on the properties of the soil is different. Hence, a good understanding on the effect of specific organic and inorganic matter on the physico-chemical characteristic of organic soils can serve as a guide for predicting the properties of organic soils. The main objective is to unveil the effect of organic acid on the physico-chemical properties of soil. Artificial organic soil (kaolin mixed with organic acid was utilized in order to minimize the geochemical variability of studied soil. The organic acid which consists of humic acid and fulvic acid was extracted from highly humificated plant–based compost. The effect of organic acid on the physico-chemical properties of soil was determined by varying the concentration of organic acid. The specific gravity, Atterberg limits, pH, bulk chemical composition and the functional group of kaolin-organic acid were determined. It was found that the plasticity index, specific gravity and pH value were decreased with lowered concentration of organic acid. However, the liquid limits and plastic limits were found to be increased with the concentration decrement of organic acid. The analysis of XRF on the bulk chemical composition and analysis of FTIR spectra on the functional group of artificial organic soils with different concentration have confirmed little geochemical variability between samples.

  2. Spectroscopic properties and laser operation of Yb3+ : SGYB crystal

    Science.gov (United States)

    Xia, Houping; Ma, Qian; Xu, Qiang; Zhao, Lei

    2017-03-01

    A Sr3Yb0.1Gd0.2Y0.7) single crystal was grown by the Czochralski method. The crystal was evaluated by absorption, emission, and luminescence decay measurements. The relevant absorption and emission cross-sections as well as fluorescence lifetimes were calculated and compared. Studies showed that the existence of Gd3+ can lead to greater structural disorder and broaden the spectra of the crystal. Diode-pumped laser action of this crystal is demonstrated for the first time, and the best output power of 1.8 W with a slope efficiency of 75.8% was obtained. Dual-wavelength and three-wavelength oscillations were observed. Thus, this crystal is suitable for use as tunable or ultrashort laser mediums.

  3. The optical properties of alkali nitrate single crystals

    Science.gov (United States)

    Anan'ev, Vladimir; Miklin, Mikhail

    2000-08-01

    Absorption of non-polarized light by a uniaxial crystal has been studied. The degree of absorption polarization has been calculated as a function of the ratio of optical densities in the region of low and high absorbances. This function is proposed for analysis of the qualitative and quantitative characteristics of uniaxial crystal absorption spectra. Non-polarized light spectra of alkali nitrate single crystals, both pure and doped with thallium, have been studied. It is shown that the absorption band at 300 nm is due to two transitions, whose intensities depend on temperature in various ways. There is a weak band in a short wavelength range of the absorption spectrum of potassium nitrate crystal, whose intensity increases with thallium doping. The band parameters of alkali nitrate single crystals have been calculated. Low-energy transitions in the nitrate ion have been located.

  4. STUDIES ON THE MECHANICAL PROPERTIES AND CRYSTALLIZATION BEHAVIOR OF POLYETHYLENE COMPOSITES

    Institute of Scientific and Technical Information of China (English)

    ZHU Jin; OU Yuchun; FENG Yupeng

    1995-01-01

    The effects of interfacial modifier on the mechanical, dynamic mechanical properties and crystallization behavior of the polyethylene composites were investigated in the present paper.It was found that the interfacial modifer significantly improved the mechanical properties,influenced the dynamic mechanical spectra and slightly changed the crystallization behavior.The results showed that the interfacial modifier changed the dispersion state of dispersed phase of the composites, resulting in different phase structure, which was the major reason leading to different mechanical and crystallization properties.

  5. Chemically Selective Coated Quartz Crystal Microbalance (QCM) Array for Detection of Volatile Organic Chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Bohuszewicz, T.V.; Frye-Mason, G.C.; Martin, S.J.; Osbourn, G.C. Bartholomew, J.W.; Schneider, T.W.; Spates, J.J.

    1998-11-04

    Liquid flow cells have been fabricated to prepare an array of QCMS operating simultaneously for detection and identification of VOCS in water. TWO signals, a tlequency response and a damping voltage response, were obtained per resonator. A blank QCM was used as a reference to account for changes in liquid density and viscosity. Nine different polymer coatings applied using a spin coat technique have been examined for VOC response under liquid flow conditions. A matrix of three classes of VOCS were examined for each coating with four chemicals in each class. The three classes of VOCS are polar, nonpolar and chlorinated. A pattern recognition technique, called visually empirical region of influence (VERI), was used to cluster the responses in n-dimensional space. Chemicals within a class varying by only one methyl group (e.g., toluene and xylene) are easily discriminated using only two different coatings with three different QCM responses. All chemicak were easily separated and detected with a total of 5 films and 6 responses with >99% accuracy.

  6. Optical Property of LiNbO3 Crystal Codoped with In, Mg and Fe

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    In2O3, MgO and Fe2O3 were doped in LiNbO3 and Czochralski method was used to grow In:Mg:Fe:LiNbO3 crystals. The OH- extension transmission spectra, light scattering resistance ability, two wave coupled diffraction efficiency and response time of the crystal were measured. Codoping In and Mg in crystal will improve its light scattering resistance ability and response time. Doping In can increase the ability to replace antisite Nb and decrease the doping quantity of Mg. All these are propitious to improve the optical homogeneity of crystal. Doping Fe can improve the photorefractive sensitivity for LiNbO3 crystal. We discussed the site of In, Mg and Fe in LiNbO3 crystals and the influence of the absorption peak of OH- transmission spectra on photorefractive property for LiNbO3 crystal.

  7. Magnetic properties of a three layer superlattice with a crystal field

    Institute of Scientific and Technical Information of China (English)

    Jiang Wei; Li Xin; Wang Xi-Kun; Guo An-Bang

    2006-01-01

    In this paper the magnetic properties of a three layer superlattice with the crystal field on the honeycomb and square lattice have been studied based on the effective-field theory with self-spin correlations and the differential operator technique. The effects of the crystal field and longitudinal magnetic field on the susceptibility are discussed in detail. A number of interesting phenomena, originating from the competition between the longitudinal magnetic field, crystal-field,and coordination number, have been found.

  8. Investigations of properties of opal-like photonic crystals using combined methods

    Science.gov (United States)

    Akhmadeev, A. A.; Salakhov, M. Kh

    2016-05-01

    We propose a technique that combines atomic force microscopy, optical spectrophotometry and diffraction method for characterization of photonic crystals. These materials are promising for the creation of various devices, as well as for the observation of new effects due to their unique properties. Photonic crystals were synthesized by self-assembly of colloidal silica particles with low deviation in size. It is shown that the developed technique allows to increase the accuracy of determining the parameters of the photonic crystal.

  9. Physical properties of BeAl6O10 single crystals

    Science.gov (United States)

    Pestryakov, E. V.; Petrov, V. V.; Zubrinov, I. I.; Semenov, V. I.; Trunov, V. I.; Kirpichnikov, A. V.; Alimpiev, A. I.

    1997-10-01

    Single crystals of BeAl6O10, beryllium hexaaluminate, were grown by the Czochralski method. The optical, acousto-optical, elastic, and a number of thermo-mechanical properties of bulk crystals of BeAl6O10 were investigated in comparison with crystal of BeAl2O4, chrysoberyl. It has been demonstrated that this material is the promising host for active media of tunable solid state lasers.

  10. Influence of the ytterbium doping technique on the luminescent properties of ZnSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Radevici, Ivan, E-mail: ivarad@utu.fi [Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Faculty of Physics and Engineering, Moldova State University, 60 A. Mateevici str., MD-2009 Chisinau, Republic of Moldova (Moldova, Republic of); Sushkevich, Konstantin [Faculty of Physics and Engineering, Moldova State University, 60 A. Mateevici str., MD-2009 Chisinau, Republic of Moldova (Moldova, Republic of); Huhtinen, Hannu [Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Nedeoglo, Dmitrii [Faculty of Physics and Engineering, Moldova State University, 60 A. Mateevici str., MD-2009 Chisinau, Republic of Moldova (Moldova, Republic of); Paturi, Petriina [Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland)

    2015-02-15

    Luminescent properties of the ytterbium doped zinc selenide crystals with 0.00–8.00 at % concentrations of the Yb impurity within the temperature interval from 6 K to 300 K were studied. Ytterbium doping was performed within three technological processes: during the growth by chemical vapor transport method and by thermal diffusion from the Bi+Yb or Zn+Yb melt. The influence of ytterbium impurity concentration on spectral position and intensity of the various photoluminescent bands in ZnSe emission spectra in visible and infrared range is analyzed. A tendency of ytterbium ions to form associates with background defects was demonstrated. A strong dependence between ytterbium influence on the zinc selenide emission spectra and concentration of selenium vacancies was shown. - Highlights: • Co-doping of ZnSe crystals with Yb and Bi or I impurities was studied. • Influence of Yb concentration on ZnSe emission spectra in visible and infrared range was analyzed. • Tendency of Yb to form associates with background defects was discussed. • Impact of V{sub Se} on formation of Yb-based emission centers was demonstrated.

  11. Impurities and Electronic Property Variations of Natural MoS 2 Crystal Surfaces

    KAUST Repository

    Addou, Rafik

    2015-09-22

    Room temperature X-ray photoelectron spectroscopy (XPS), inductively coupled plasma mass spectrometry (ICPMS), high resolution Rutherford backscattering spectrometry (HR-RBS), Kelvin probe method, and scanning tunneling microscopy (STM) are employed to study the properties of a freshly exfoliated surface of geological MoS2 crystals. Our findings reveal that the semiconductor 2H-MoS2 exhibits both n- and p-type behavior, and the work function as measured by the Kelvin probe is found to vary from 4.4 to 5.3 eV. The presence of impurities in parts-per-million (ppm) and a surface defect density of up to 8% of the total area could explain the variation of the Fermi level position. High resolution RBS data also show a large variation in the MoSx composition (1.8 < x < 2.05) at the surface. Thus, the variation in the conductivity, the work function, and stoichiometry across small areas of MoS2 will have to be controlled during crystal growth in order to provide high quality uniform materials for future device fabrication. © 2015 American Chemical Society.

  12. Optical properties of one-dimensional Fibonacci quasi-periodic graphene photonic crystal

    Science.gov (United States)

    Zhang, Yuping; Wu, Zhixin; Cao, Yanyan; Zhang, Huiyun

    2015-03-01

    We propose a novel type of one-dimensional photonic crystal called Fibonacci quasi-periodic graphene photonic crystal (FGPC), in which the structure in each dielectric cell follows the Fibonacci sequence and the graphene monolayers are embedded between adjacent dielectric layers. The transmission properties of FGPC are investigated using transfer matrix method in detail. It is shown that both photonic band gap induced by graphene (GIBPG) and the Bragg gap exist in the structure. We study the band gaps of TE and TM waves at different incident angles or chemical potentials. It is found that the band gaps can be tuned via a gate voltage and GIBPG is almost omnidirectional and insensitive to the polarization. In order to investigate difference between the GIPBG and Bragg gap, we plot the electromagnetic field profiles inside FGPC for some critical frequencies. The propagation loss of the structure caused by absorption of graphene is researched in detail. Also, the passing bands of Fibonacci sequences of different orders and their splitting behavior at higher order are investigated.

  13. Growth and piezoelectric properties of Ca3Nb(Al0.5Ga0.5)3Si2O14 crystals with langasite structure

    Science.gov (United States)

    Xiong, Kainan; Zheng, Yanqing; Tu, Xiaoniu; Jiang, Bohan; Cao, Shuoliang; Shi, Erwei

    2017-06-01

    Piezoelectric crystals Ca3Nb(Al0.5Ga0.5)3Si2O14 (CNAGS) with langasite structure have been successfully grown by Czochralski method. In this work, the crystal structure, quality, chemical composition, piezoelectric properties, electric resistivity and optical properties of the as-grown crystals were characterized. The full width at half-maximum (FWHM) of the rocking curve of CNAGS was found to be 23″. The chemical compositions of CNAGS crystals are very close to that of initial compositions. At room temperature, the piezoelectric coefficients d11 and d14 of CNAGS crystals are 4.12 pC/N and -5.03 pC/N, and the electromechanical coupling coefficients k12 and k26 are also determined as 11.6% and 18.3%, respectively. The electric resistivity of as-growth crystal was found to be on the order of 2×108 Ω cm at 500 °C and 1×106 Ω cm at 800 °C. And the transmittances of CNAGS crystals were found to be over 80% in the wavelength range of 700-2700 nm.

  14. Studies on the growth, spectral, structural, electrical, optical and mechanical properties of Uronium 3-carboxy-4-hydroxybenzenesulfonate single crystal for third-order nonlinear optical applications

    Science.gov (United States)

    Silambarasan, A.; Krishna Kumar, M.; Thirunavukkarasu, A.; Md Zahid, I.; Mohan Kumar, R.; Umarani, P. R.

    2015-05-01

    Organic Uronium 3-carboxy-4-hydroxybenzenesulfonate (UCHBS) nonlinear optical single crystal was grown by solution growth technique. The solubility and nucleation studies were performed for UCHBS at different temperatures 30, 35, 40, 45, 50 and 55 °C. The crystal structure of UCHBS was elucidated from single crystal X-ray diffraction study. High resolution X-ray diffraction technique was employed to study the perfection and internal defects of UCHBS crystal. Infrared and Raman spectra were recorded to analyze the vibrational behavior of chemical bonds and its functional groups. The physico-chemical changes, stability and decomposition stages of the UCHBS compound were established by TG-DTA studies. The dielectric phenomenon of UCHBS crystal was studied at different temperatures with respect to frequency. Linear optical properties of transmittance, cut-off wavelength, band gap of UCHBS were found from UV-visible spectral studies. Third-order nonlinear optical susceptibility, nonlinear refractive index, nonlinear optical absorption coefficient values were measured by Z-scan technique. The mechanical properties of UCHBS crystal was studied by using Vicker's microhardness test. The growth features of UCHBS crystal were analyzed from etching studies.

  15. Microstructural and transport properties of superconducting FeTe0.65Se0.35 crystals

    Science.gov (United States)

    Sivakov, A. G.; Bondarenko, S. I.; Prokhvatilov, A. I.; Timofeev, V. P.; Pokhila, A. S.; Koverya, V. P.; Dudar, I. S.; Link, S. I.; Legchenkova, I. V.; Bludov, A. N.; Monarkha, V. Yu; Gawryluk, D. J.; Pietosa, J.; Berkowski, M.; Diduszko, R.; Puzniak, R.; Wisniewski, A.

    2017-01-01

    The issue concerning the nature and the role of microstructural inhomogeneities in iron chalcogenide superconducting crystals of FeTe0.65Se0.35 and their correlation with transport properties of this system was addressed. The presented data demonstrate that chemical disorder originating from the kinetics of the crystal growth process significantly influences the superconducting properties of an Fe-Te-Se system. Transport measurements of the transition temperature and critical current density performed for microscopic bridges allow us to deduce the local properties of a superconductor with microstructural inhomogeneities, and significant differences were noted. The variances observed in the local properties were explained as a consequence of weak superconducting links existing in the studied crystals. The results confirm that the inhomogeneous spatial distribution of ions and small hexagonal symmetry nanoscale regions with nanoscale phase separation also seem to enhance the superconductivity in this system with respect to the values of the critical current density. Magnetic measurements performed in order to determine, in an alternative way, the values of the critical current density, as well as to find the relaxation rate and to check the scaling of the pinning force, confirm the conclusions drawn from the transport measurements.

  16. Nutrients removal and recovery from anaerobically digested swine wastewater by struvite crystallization without chemical additions.

    Science.gov (United States)

    Song, Yong-Hui; Qiu, Guang-Lei; Yuan, Peng; Cui, Xiao-Yu; Peng, Jian-Feng; Zeng, Ping; Duan, Liang; Xiang, Lian-Cheng; Qian, Feng

    2011-06-15

    Anaerobically digested swine wastewater contains high concentrations of phosphorus (P) and nitrogen (N). A pilot-scale experiment was carried out for nutrients removal and recovery from anaerobically digested swine wastewater by struvite crystallization. In the pilot plant, a sequencing batch reactor (SBR) and a continuous-flow reactor with struvite accumulation devices were designed and employed. The wastewater pH value was increased by CO(2) stripping, and the struvite crystallization process was performed without alkali and Mg(2+) additions. Results of the long-term operation of the system showed that, both reactors provided up to 85% P removal and recovery over wide ranges of aeration times (1.0-4.0 h), hydraulic retention times (HRT) (6.0-15.0 h) and temperatures (0-29.5°C) for an extended period of 247 d, in which approximate 30% of P was recovered by the struvite accumulation devices. However, 40-90% of NH(4)(+)-N removed was through air stripping instead of being immobilized in the recovered solids. The recovered products were detected and analyzed by scanning electron microscope (SEM), X-ray diffraction (XRD) and chemical methods, which were proved to be struvite with purity of more than 90%. This work demonstrated the feasibility and effects of nutrients removal and recovery from anaerobically digested swine wastewater by struvite crystallization without chemical additions.

  17. The optical properties of bismuth germanium oxide single crystals

    Directory of Open Access Journals (Sweden)

    ANDREJA VALCIC

    2000-09-01

    Full Text Available Bi12GeO20 single crystals were grown by the Czochralski technique. Suitable polishing and etching solutions were determined. Reflection spectra were recorded in the wave numbers range 20–5000 cm–1, and compared with the spectra of Bi12SiO20 single crystals to study the position of the phonon modes. The optical constants of the Bi12GeO20 single crystals were obtained using Kramers-Kronig analysis. The obtained results are dicussed and compared with published data.

  18. Physical and chemical properties of pomegranate fruit accessions from Croatia.

    Science.gov (United States)

    Radunić, Mira; Jukić Špika, Maja; Goreta Ban, Smiljana; Gadže, Jelena; Díaz-Pérez, Juan Carlos; MacLean, Dan

    2015-06-15

    The objective was to evaluate physical and chemical properties of eight pomegranate accessions (seven cultivars and one wild genotype) collected from the Mediterranean region of Croatia. Accessions showed high variability in fruit weight and size, calyx and peel properties, number of arils per fruit, total aril weight, and aril and juice yield. Variables that define sweet taste, such as low total acidity (TA; 0.37-0.59%), high total soluble solids content (TSS; 12.5-15.0%) and their ratio (TSS/TA) were evaluated, and results generally aligned with sweetness classifications of the fruit. Pomegranate fruit had a high variability in total phenolic content (1985.6-2948.7 mg/L). HPLC-MALDI-TOF/MS analysis showed that accessions with dark red arils had the highest total anthocyanin content, with cyanidin 3-glucoside as the most abundant compound. Principal component analysis revealed great differences in fruit physical characteristics and chemical composition among pomegranate accessions.

  19. Enhancement of Hevea brasiliensis properties through chemical application

    Directory of Open Access Journals (Sweden)

    ROSZAINI KADIR

    Full Text Available ABSTRACT The effects of four different types of bleaching agents (hydrogen peroxide, sodium hypochlorite, sodium chlorite and oxalic acid mixed together with 2% boron-based preservative (Celbor SP were studied on green sawn rubberwood. Two concentration levels (1% and 2% of were used. Whitish values (W and colour changes (ΔE of sawn rubberwood were assessed before and after chemical treatment using a colour meter. Preliminary observation indicated that timber treated with 1% and 2% hydrogen peroxide produced better and more homogeneous colour properties. Hydrogen peroxide treated timber gave higher whitish values (6.23 and 9.91 for 1% and 2% solution, respectively and lower colour changes (8.49 and 5.51 for 1% and 2% solution, respectively when compared to the other three chemicals. Evaluation on the effects of bleaching (hydrogen peroxide with a higher level of concentration on physical, mechanical and biological properties of rubberwood also have been determined in this study.

  20. Surface properties of hydrogenated nanodiamonds: a chemical investigation.

    Science.gov (United States)

    Girard, H A; Petit, T; Perruchas, S; Gacoin, T; Gesset, C; Arnault, J C; Bergonzo, P

    2011-06-28

    Hydrogen terminations (C-H) confer to diamond layers specific surface properties such as a negative electron affinity and a superficial conductive layer, opening the way to specific functionalization routes. For example, efficient covalent bonding of diazonium salts or of alkene moieties can be performed on hydrogenated diamond thin films, owing to electronic exchanges at the interface. Here, we report on the chemical reactivity of fully hydrogenated High Pressure High Temperature (HPHT) nanodiamonds (H-NDs) towards such grafting, with respect to the reactivity of as-received NDs. Chemical characterizations such as FTIR, XPS analysis and Zeta potential measurements reveal a clear selectivity of such couplings on H-NDs, suggesting that C-H related surface properties remain dominant even on particles at the nanoscale. These results on hydrogenated NDs open up the route to a broad range of new functionalizations for innovative NDs applications development.

  1. QSPR between Physical- Chemical Properties and Molecule Parameters of Alkanes

    Institute of Scientific and Technical Information of China (English)

    XU Qing-qing; LI Liang-chao; HU Li-ya

    2005-01-01

    A set of molecule parameters, namely, N, N′, p, q,n, were used to express the structures of alkanes. A correlative model was established between certain physical-chemical properties and molecular parameters of alkanes by regression method. Eightphysical-chemical properties, such as evaporation heat (△vH20m ),density(D20 ), capacity(C20 ), surface tension(σ20 ), boiling point ( Tb ), critical temperature ( Tc ), critical pressure (Pc) and critical volume(Vc), of fifty-six C3-C16 alkanes were calculated directly from the model in this paper. The calculated values are in good accordance with the literature ones reported for alkanes, and the correlation coefficients (R) equal or exceed 0.99. The research results indicate that the principle of the method is simple and clear, the method is practical, the correlativity is excellent, and the predicted data are credible.

  2. Research on lunar materials. [optical, chemical, and electrical properties

    Science.gov (United States)

    Gold, T.

    1978-01-01

    Abstracts of 14 research reports relating to investigations of lunar samples are presented. The principal topics covered include: (1) optical properties of surface and core samples; (2) chemical composition of the surface layers of lunar grains: Auger electron spectroscopy of lunar soil and ground rock samples; (3) high frequency electrical properties of lunar soil and rock samples and their relevance for the interpretation of lunar radar observations; (4) the electrostatic dust transport process; (5) secondary electron emission characteristics of lunar soil samples and their relevance to the dust transportation process; (6) grain size distribution in surface soil and core samples; and (7) the optical and chemical effects of simulated solar wind (2keV proton and a particle radiation) on lunar material.

  3. EuAu3Al2: Crystal and Electronic Structures and Spectroscopic, Magnetic, and Magnetocaloric Properties.

    Science.gov (United States)

    Schmiegel, Jan-Patrick; Block, Theresa; Gerke, Birgit; Fickenscher, Thomas; Touzani, Rachid St; Fokwa, Boniface P T; Janka, Oliver

    2016-09-06

    The intermetallic compound EuAu3Al2 has been prepared by reaction of the elements in tantalum ampules. The structure was refined from single-crystal data, indicating that the title compound crystallizes in the orthorhombic crystal system (a = 1310.36(4), b = 547.87(1), c = 681.26(2) pm) with space group Pnma (wR2 = 0.0266, 1038 F(2) values, 35 parameters) and is isostructural to SrAu3Al2 (LT-SrZn5 type). Full ordering of the gold and aluminum atoms was observed. Theoretical calculations confirm that the title compound can be described as a polar intermetallic phase containing a polyanionic [Au3Al2](δ-) network featuring interconnected strands of edge-sharing [AlAu4] tetrahedra. Magnetic measurements and (151)Eu Mössbauer spectroscopic investigations confirmed the divalent character of the europium atoms. Ferromagnetic ordering below TC = 16.5(1) K was observed. Heat capacity measurements showed a λ-type anomaly at T = 15.7(1) K, in line with the ordering temperature from the susceptibility measurements. The magnetocaloric properties of EuAu3Al2 were determined, and a magnetic entropy of ΔSM = -4.8 J kg(-1) K(-1) for a field change of 0 to 50 kOe was determined. Band structure calculations found that the f-bands of Eu present at the Fermi level of non-spin-polarized calculations are responsible for the ferromagnetic ordering in this phase, whereas COHP chemical bonding coupled with Bader charge analysis confirmed the description of the structure as covalently bonded polyanionic [Au3Al2](δ-) network interacting ionically with Eu(δ+).

  4. Ethyl coumarin-3-carboxylate: synthesis and chemical properties

    Directory of Open Access Journals (Sweden)

    Bakr F. Abdel-Wahab

    2014-03-01

    Full Text Available Ethyl coumarin-3-carboxylate occupies an important position in the organic synthesis and is used in production of biologically active compounds. Thus, the data published over the last few years on the methods of synthesis and chemical properties of ethyl coumarin-3-carboxylate are reviewed here for the first time. The reactions were classified as coumarin ring reactions and ester group reactions, and some of these reactions have been applied successfully to the synthesis of biologically and industrially important compounds.

  5. Chemical Properties of Paddy Soils in Thailand and Malaysia

    OpenAIRE

    Kai, Hideaki; Masayna, Wittaya; Aibe, Toshiharu; Hamada, Eisuke; Jiraporncharoen, Suchart; Yamada, Yoshio; Vacharotayan, Sorasith; Cholitkul, Wisit; Kanareugsa, Chob

    1981-01-01

    As a part of International Cooperative Studies on the Increasing Productivity of Soils in Tropical Area (1976-1978). chemical properties of paddy soils in Thailand and Malaysia were studied for the purpose of elucidation of the fundamental characteristics of the soils so as to evaluate soil fertility and to implement advanced technical practices for higher production of rice. Each several soil samples were collected from the central, northern, northeastern and southern regions of Thailand and...

  6. Nanostructured conjugated polymers in chemical sensors: synthesis, properties and applications.

    Science.gov (United States)

    Correa, D S; Medeiros, E S; Oliveira, J E; Paterno, L G; Mattoso, Luiz C

    2014-09-01

    Conjugated polymers are organic materials endowed with a π-electron conjugation along the polymer backbone that present appealing electrical and optical properties for technological applications. By using conjugated polymeric materials in the nanoscale, such properties can be further enhanced. In addition, the use of nanostructured materials makes possible miniaturize devices at the micro/nano scale. The applications of conjugated nanostructured polymers include sensors, actuators, flexible displays, discrete electronic devices, and smart fabric, to name a few. In particular, the use of conjugated polymers in chemical and biological sensors is made feasible owning to their sensitivity to the physicochemical conditions of its surrounding environment, such as chemical composition, pH, dielectric constant, humidity or even temperature. Subtle changes in these conditions bring about variations on the electrical (resistivity and capacitance), optical (absorptivity, luminescence, etc.), and mechanical properties of the conjugated polymer, which can be precisely measured by different experimental methods and ultimately associated with a specific analyte and its concentration. The present review article highlights the main features of conjugated polymers that make them suitable for chemical sensors. An especial emphasis is given to nanostructured sensors systems, which present high sensitivity and selectivity, and find application in beverage and food quality control, pharmaceutical industries, medical diagnosis, environmental monitoring, and homeland security, and other applications as discussed throughout this review.

  7. Properties of directional couplers using photonic crystal waveguides

    DEFF Research Database (Denmark)

    Thorhauge, Morten; Borel, Peter Ingo; Frandsen, Lars Hagedorn;

    2003-01-01

    Coupled photonic crystal waveguides have been designed and modelled with a 3D finite-difference-time-domain method, and fabricated in silicon-on-insulator material. Good agreement between modelled and measured results has been found.......Coupled photonic crystal waveguides have been designed and modelled with a 3D finite-difference-time-domain method, and fabricated in silicon-on-insulator material. Good agreement between modelled and measured results has been found....

  8. Nanoscale arrays of antimony telluride single crystals by selective chemical vapor deposition

    Science.gov (United States)

    Huang, Ruomeng; Benjamin, Sophie L.; Gurnani, Chitra; Wang, Yudong; Hector, Andrew L.; Levason, William; Reid, Gillian; De Groot, C. H. (Kees)

    2016-01-01

    Arrays of individual single nanocrystals of Sb2Te3 have been formed using selective chemical vapor deposition (CVD) from a single source precursor. Crystals are self-assembled reproducibly in confined spaces of 100 nm diameter with pitch down to 500 nm. The distribution of crystallite sizes across the arrays is very narrow (standard deviation of 15%) and is affected by both the hole diameter and the array pitch. The preferred growth of the crystals in the orientation along the diagonal of the square holes strongly indicates that the diffusion of adatoms results in a near thermodynamic equilibrium growth mechanism of the nuclei. A clear relationship between electrical resistivity and selectivity is established across a range of metal selenides and tellurides, showing that conductive materials result in more selective growth and suggesting that electron donation is of critical importance for selective deposition. PMID:27283116

  9. Al-Induced Crystallization Growth of Si Films by Inductively Coupled Plasma Chemical Vapour Deposition

    Institute of Scientific and Technical Information of China (English)

    LI Jun-Shuai; WANG Jin-Xiao; YIN Min; GAO Ping-Qi; HE De-Yan

    2006-01-01

    Polycrystalline Si (poly-Si) films are in situ grown on Al-coated glass substrates by inductively coupled plasma chemical vapour deposition at a temperature as low as 350 C. Compared to the traditional annealing crystallization of amorphous Si/Al-layer structures, no layer exchange is observed and the resultant poly-Si film is much thicker than Al layer. By analysing the depth profiles of the elemental composition, no remains of Al atoms are detected in Si layer within the limit (< 0.01 at. %) of the used evaluations. It is indicated that the poly-Si material obtained by Al-induced crystallization growth has more potential applications than that prepared by annealing the amorphous Si/Al-layer structures.

  10. Topological and metrical property characterization of radical subunits for ternary hard sphere crystals

    Directory of Open Access Journals (Sweden)

    Lin Wang

    2016-01-01

    Full Text Available Quantitative characterization on the topological and metrical properties of radical subunits (polyhedra for two new ternary hard sphere crystals was studied. These two ideal crystalline structures are numerically constructed by filling small and medium spheres into interstices (corresponding to regular tetrahedral and octahedral pores of perfect face centered cubic (FCC and hexagonal close packed (HCP crystals formed by the packing of large spheres. Topological properties such as face number, edge number, vertex number of each radical polyhedron (RP, edge number of each RP face and metrical properties such as volume, surface area, total perimeter and pore volume of each RP, area and perimeter of each RP face were analyzed and compared. The results show that even though the overall packing densities for FCC and HCP ternary crystals are the same, different characteristics of radical polyhedra for corresponding spheres in these two crystals can be identified. That is, in the former structure RPs are more symmetric than those in the latter; the orientations of corresponding RP in the latter are twice as many as that in the former. Moreover, RP topological and metrical properties in the HCP ternary crystal are much more complicated than those in the FCC ternary crystal. These differences imply the structure and property differences of these two ternary crystals. Analyses of RPs provide intensive understanding of pores in the structure.

  11. Topological and metrical property characterization of radical subunits for ternary hard sphere crystals

    Science.gov (United States)

    Wang, Lin; An, Xizhong; Wang, Defeng; Qian, Quan

    2016-01-01

    Quantitative characterization on the topological and metrical properties of radical subunits (polyhedra) for two new ternary hard sphere crystals was studied. These two ideal crystalline structures are numerically constructed by filling small and medium spheres into interstices (corresponding to regular tetrahedral and octahedral pores) of perfect face centered cubic (FCC) and hexagonal close packed (HCP) crystals formed by the packing of large spheres. Topological properties such as face number, edge number, vertex number of each radical polyhedron (RP), edge number of each RP face and metrical properties such as volume, surface area, total perimeter and pore volume of each RP, area and perimeter of each RP face were analyzed and compared. The results show that even though the overall packing densities for FCC and HCP ternary crystals are the same, different characteristics of radical polyhedra for corresponding spheres in these two crystals can be identified. That is, in the former structure RPs are more symmetric than those in the latter; the orientations of corresponding RP in the latter are twice as many as that in the former. Moreover, RP topological and metrical properties in the HCP ternary crystal are much more complicated than those in the FCC ternary crystal. These differences imply the structure and property differences of these two ternary crystals. Analyses of RPs provide intensive understanding of pores in the structure.

  12. Study on Dispersion Properties of Photonic Crystal Fiber by Effective-Index Model

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The group-velocity-dispersion properties of photonic crystal fiber (PCF) were investigated by effective-index model. The relationship between waveguide dispersion and structure parameters: the pitch A and the relative hole size/was studied.

  13. Study on Dispersion Properties of Photonic Crystal Fiber by Effective-Index Model

    Institute of Scientific and Technical Information of China (English)

    Ren Guobin; Wang Zhi; Lou Shuqin; Jian Shuisheng

    2003-01-01

    The group-velocity-dispersion properties of photonic crystal fiber (PCF) were investigated by effective-index model. The relationship between waveguide dispersion and structure parameters: the pitch and the relative hole size f was studied.

  14. Properties of photonic bandgap in one-dimensional multicomponent photonic crystal

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yi; WANG Qi

    2006-01-01

    Properties of photonic band gap and light propagation in one-dimensional multicomponent photonic crystal have been studied with the optical transfer matrix method.We mainly analyze the relation of photonic band-gap property with the arrangement of components,the refractive index and the geometrical thickness.In this study,the methods to change the width and the location of the existing photonic band-gaps in multicomponent photonic crystal are proposed.

  15. Synthesis and mesomorphic properties of novel tolane-type liquid crystals

    Institute of Scientific and Technical Information of China (English)

    Dong Yu Zhao; Qing Yong Meng; Xiao Peng Cui; Huai Yang

    2009-01-01

    Two series of novel tolane-type liquid crystals (LCs) comprising of hydrogen-bonded organic acids were synthesized. The formation of dimerized H-bond LCs was confirmed by IR spectroscopy, and mesomorphic properties of the LCs were investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). It was found that the end groups of the liquid crystals as well as the unsaturated rigid core had effect on the mesomorphic properties.

  16. Thermal and Mechanical Properties of a Complex Nonlinear Optical Material: Cadmium Mercury Thiocyanate Crystal

    Institute of Scientific and Technical Information of China (English)

    YUAN Duo-Rong; XU Dong; ZHANG Guang-Hui; LIU Ming-Guo; GUO Shi-Yi; MENG Fan-Qing; LU Meng-Kai; FANG Qi; JIANG Min-Hua

    2000-01-01

    Institute of Crystal Materials and State Key Laboratory of Crystal Materials, Shandong University, Ji'nan 250100 (Received 18 March 2000) The data of the thermal expansion and specific heat of cadmium mercury thiocyanate crystal have been obtained. The specific heat is 0.7588J/g℃ at room temperature. The thermal expansion occurs in the direction parallel to the c-axis, and the thermal contraction occurs in the direction parallel to the a-axis. The thermal expansion is the same as the thermal contraction at 353 K. The relationship between thermal properties and crystal structure is discussed.

  17. Static and dynamic properties of three-dimensional dot-type magnonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Maksymov, Artur, E-mail: maxyartur@gmail.com [Advanced Materials Research Institute, University of New Orleans, LA 70148 (United States); Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Spinu, Leonard [Advanced Materials Research Institute, University of New Orleans, LA 70148 (United States); Department of Physics, University of New Orleans, New Orleans, LA 70148 (United States)

    2016-04-01

    The static and dynamic magnetization of three-dimensional magnonic metamaterials has been investigated. By numerical means it was analyzed the impact of space dimensionality on the properties of magnonic crystal with unit cell consisting of four dots. It is find out the possibility of multi-vortex core formation which is related to the increasing of the crystal height by three-dimensional periodicity of single crystal layer. Additionally is provided the analysis of ferromagnetic resonance phenomenon for two-dimensional and three-dimensional structures. For the unsaturated magnetization of three-dimensional crystal the several pronounced resonance frequencies were detected.

  18. Photonic crystal alloys: a new twist in controlling photonic band structure properties.

    Science.gov (United States)

    Kim, Hee Jin; Kim, Dong-Uk; Roh, Young-Geun; Yu, Jaejun; Jeon, Heonsu; Park, Q-Han

    2008-04-28

    We identified new photonic structures and phenomenon that are analogous to alloy crystals and the associated electronic bandgap engineering. From a set of diamond-lattice microwave photonic crystals of randomly mixed silica and alumina spheres but with a well defined mixing composition, we observed that both bandedges of the L-point bandgap monotonically shifted with very little bowing as the composition was varied. The observed results were in excellent agreement with the virtual crystal approximation theory originally developed for electronic properties of alloy crystals. This result signifies the similarity and correspondence between photonics and electronics.

  19. First-Principles Study on Electronic Structures and Optical Properties of Doped Ag Crystal

    Institute of Scientific and Technical Information of China (English)

    CAO Can; CHEN Ling-Na; JIA Shu-Ting; ZHANG Dan; XU Hui

    2012-01-01

    By using the first-principles calculation based on density functional theory,we investigate the electronic structures and optical properties of Cl-doped Ag crystal. The results show that the electronic structure of Cl-doped Ag crystal depends on the doped concentration and the site of impurity defect.Interestingly,the calculated adsorption spectra of Cl-doped Ag crystal show isotropy or anisotropy coincide with the symmetry of Ag crystal. These features are discussed to provide guidance to experimental efforts for Ag-based nanoeletronic devices.

  20. Studies on the growth aspects, structural and third-order nonlinear optical properties of Piperidinium 3-carboxy-4-hydroxy benzenesulfonate single crystal

    Science.gov (United States)

    Kalaiyarasi, S.; Zahid, I. MD; Devi, S. Reena; Kumar, R. Mohan

    2017-02-01

    Organic nonlinear optical material Piperidinium 3-carboxy-4-hydroxy benzenesulfonate (PBS) single crystal was successfully grown by solution growth method. Single crystal X-ray diffraction study confirms that, the grown crystal belongs to P21/n space group. The crystalline quality of PBS was ascertained by HRXRD studies. Infrared spectral analysis showed the vibrational behaviour of chemical bonds and presence of its functional groups. TG/DTA studies were used to study the thermal stability and decomposition stages of the compound. UV-visible transmittance studies showed the transparency region, cut-off wavelength and band gap of the grown crystal. Photoluminescence emission study was carried out for the grown crystal to show its electronic properties. By using Nd:YAG laser, the laser damage threshold was estimated for the grown crystal. The third-order nonlinear optical parameters of the grown crystal were estimated by Z-scan technique using He-Ne laser source. The mechanical property of the PBS crystal was studied by using Vicker's microhardness measurement.

  1. Synthesis, crystal structure, crystal growth and physical properties of N,N-diethyl anilinium picrate

    Science.gov (United States)

    Subramaniyan @ Raja, R.; Anandha Babu, G.; Ramasamy, P.

    2011-11-01

    Crystalline substance of N,N-diethyl anilinium picrate (NNDEAP) has been synthesized and single crystals of NNDEAP were successfully grown for the first time by the slow evaporation solution growth technique at room temperature with dimensions 14×10×10 mm3. The formation of the new crystal has been confirmed by single crystal X-ray diffraction studies. The structural perfection of the grown crystal was analyzed by high resolution X-ray diffraction (HRXRD) measurements. The functional groups of NNDEAP have been identified by Fourier transform infrared spectral studies. Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) have also been carried out and the thermal behavior of NNDEAP has been studied. The UV-vis-NIR studies have been carried out to identify the optical transmittance and the cut off wavelength of NNDEAP is identified. The dielectric loss and the dielectric constant as a function of frequency and temperature were measured for the grown crystal and the nature of variation of dielectric constant εr and dielectric losses (tan δ) were studied. Vicker's hardness test has been carried out on NNDEAP to measure the load dependent hardness. The laser induced surface damage threshold for the grown crystal was measured using Nd:YAG laser.

  2. Preparation and Luminescence Properties of the Na2W2O7 Crystal

    Institute of Scientific and Technical Information of China (English)

    WEI Qin-Hua; SHI Hong-Sheng; CHAI Wen-Xiang; QIN Lai-Shun; SHU Kang-Ying

    2011-01-01

    We discuss the synthesis of Na2W2O7 polycrystalline materials based on the TG-DSC experiment. The luminescence properties of the Na2W2O7 crystal are investigated using the Nd:YAG laser as the excitation source. It is found that the maximum emission peak of the Na2W2O7 crystal is at 525 nm. The 525-nm luminescence decay has two components. One has decay time 1.8 μs and the other 49.1μs. By comparing this results with that of the Wa2W4O13 crystal, it is assumed that the 525-nm luminescence emission of the Na2W2O7 crystal originates from the WO6-6 octahedral group.%We discuss the synthesis of Na2W2O7 polycrystalline materials based on the TG-DSC experiment.The luminescence properties of the Na2W2O7 crystal are investigated using the Nd:YAG laser as the excitation source.It is found that the maximum emission peak of the Na2W2O7 crystal is at 525 nm.The 525-nm luminescence decay has two components.One has decay time 1.8μs and the other 49.1 μs.By comparing this results with that of the Na2W4O13 crystal,it is assumed that the 525-nm luminescence emission of the Na2W2O7 crystal originates from the WO6-6 octahedral group.The Na2W2O7 crystal is a possible scintillator.It has relatively high light output under the x-ray excitation.[1] Compared with the halide scintillation crystals,the Na2W2O7 crystal has stable chemicalphysical properties.The anion group of the Na2W2O7crystal is W2O72-,which is different from the traditional tungstate crystals such as the PbWO4,ZnWO4,CaWO4 and CdWO4.[2-5] Those widely used traditional tungstate scintillation crystals are the intrinsic scintillation crystals.The luminescence center is the WO2-4 anion group.This is one of the advantages of those traditional tungstate scintillation crystals commonly.For the Na2W2O7 crystal,the luminescence center and the scintillation mechanism are still unknown.

  3. Modelling the Electro-Optic Properties of Liquid Crystals.

    Science.gov (United States)

    MacGregor, Alastair R.

    Available from UMI in association with The British Library. Requires signed TDF. Liquid crystals (LCs) have been recognised as a phase of matter intermediate between solid and liquid for about 100 years. During this time a large variety of mesophases have been discovered but it is only recently that their physics have begun to be understood. However if LCs are to continue to compete successfully in the displays market an improved understanding of their electro-optic properties must be gained. This thesis describes work carried out on two different types of LC: nematic and ferroelectric chiral smectic C (SmC^{*} ). In the former the molecules are orientationally ordered and randomly positioned while in the latter they are orientationally ordered and arranged in layers. The local mean molecular orientation is called the director and defines the uniaxial optic axis in both types of LC. In a nematic guest-host (NGH) LC an anisotropically absorbing dye is dissolved in the LC and the dye molecules align so that their maximum absorption axis is parallel to the director. When an electric field is applied to a cell containing NGHLC the molecules tend to rotate, because of their dielectric anisotropy, and alter the cell's transmittance. Previous attempts to model the change in optical transmittance with voltage have assumed that the LC and dye molecules are perfectly aligned with the director. In this work the disorder of the molecules about the director is taken into account and the overall agreement between theory and experiment is improved considerably. A method of calculating how the SmC^ {*} director configuration and layer orientation vary with voltage is presented. This method is tested by calculating the transmittance of a 7 mu m thick SmC^{* } LC cell for different azimuthal orientations of the cell between crossed polarisers. It is shown that the theoretical and measured orientations which give minimum transmittance are in good agreement. It is also shown that the

  4. Emissivity and electrooptical properties of semiconducting quantum dots/rods and liquid crystal composites: a review

    Science.gov (United States)

    Singh, Gautam; Fisch, Michael; Kumar, Satyendra

    2016-05-01

    Investigations of the mixtures of semiconducting quantum scale particles in anisotropic liquid crystal (LC) medium have become a vibrant area of research primarily due to their very interesting phenomenology. The results of these investigations fall into four groups: (i) Photoluminescent emissive properties of the quantum particles ordinarily depend on the size, shape, and chemical nature of the particles. These undergo important changes in their spectrum, polarization, and isotropy of emission when dissolved in an anisotropic LC phase. Moreover, their response to external stimuli such as mechanical, optical, or electric fields is altered in important ways; (ii) physical properties of LCs such as viscosity, dielectric relaxation, etc are modified by the addition of quantum particles. Their presence in ferroelectric smectic LC is known to give rise to an antiferro- to ferri-electric phase transition and suppresses the paraelectric phase; (iii) switching characteristics of LC devices are altered in important ways by the addition of quantum particles. Their threshold voltage is usually lowered, contrast ratio, and switching speed of nematic, ferroelectric, and cholesteric devices may increase or decrease depending on the concentration, applied field, and particle anisotropy; and (iv) controlled aggregation of quantum particles at the interface between isotropic and LC domains, near added polystyrene beads, and in the vicinity of point defects gives rise to interesting photonic structures, enables studies of photon antibunching and single photon sources. Clearly, there is a need to understand the basic and applied aspects of these systems and find routes to their technological applications including sensors, electrooptical devices, and solar energy harvesting. This review provides an overview of recent work involving liquid crystals and a variety of quantum particles.

  5. Emissivity and electrooptical properties of semiconducting quantum dots/rods and liquid crystal composites: a review.

    Science.gov (United States)

    Singh, Gautam; Fisch, Michael; Kumar, Satyendra

    2016-05-01

    Investigations of the mixtures of semiconducting quantum scale particles in anisotropic liquid crystal (LC) medium have become a vibrant area of research primarily due to their very interesting phenomenology. The results of these investigations fall into four groups: (i) Photoluminescent emissive properties of the quantum particles ordinarily depend on the size, shape, and chemical nature of the particles. These undergo important changes in their spectrum, polarization, and isotropy of emission when dissolved in an anisotropic LC phase. Moreover, their response to external stimuli such as mechanical, optical, or electric fields is altered in important ways; (ii) physical properties of LCs such as viscosity, dielectric relaxation, etc are modified by the addition of quantum particles. Their presence in ferroelectric smectic LC is known to give rise to an antiferro- to ferri-electric phase transition and suppresses the paraelectric phase; (iii) switching characteristics of LC devices are altered in important ways by the addition of quantum particles. Their threshold voltage is usually lowered, contrast ratio, and switching speed of nematic, ferroelectric, and cholesteric devices may increase or decrease depending on the concentration, applied field, and particle anisotropy; and (iv) controlled aggregation of quantum particles at the interface between isotropic and LC domains, near added polystyrene beads, and in the vicinity of point defects gives rise to interesting photonic structures, enables studies of photon antibunching and single photon sources. Clearly, there is a need to understand the basic and applied aspects of these systems and find routes to their technological applications including sensors, electrooptical devices, and solar energy harvesting. This review provides an overview of recent work involving liquid crystals and a variety of quantum particles.

  6. Modification of Textile Materials' Surface Properties Using Chemical Softener

    Directory of Open Access Journals (Sweden)

    Jurgita KOŽENIAUSKIENĖ

    2011-03-01

    Full Text Available In the present study the effect of technological treatment involving the processes of washing or washing and softening with chemical cationic softener "Surcase" produced in Great Britain on the surface properties of cellulosic textile materials manufactured from cotton, bamboo and viscose spun yarns was investigated. The changes in textile materials surface properties were evaluated using KTU-Griff-Tester device and FEI Quanta 200 FEG scanning electron microscope (SEM. It was observed that the worst hand properties and the higher surface roughness are observed of cotton materials if compared with those of bamboo and viscose materials. Also, it was shown that depending on the material structure the handle parameters of knitted materials are the better than the ones of woven fabrics.http://dx.doi.org/10.5755/j01.ms.17.1.249

  7. A computer study and photoelectric property analysis of potassium-doped lithium niobate single crystals.

    Science.gov (United States)

    Wang, Wei; Wang, Rui; Zhang, Wen; Xing, Lili; Xu, Yanling; Wu, Xiaohong

    2013-09-14

    First-principles theory was used to design a potassium-doped lithium niobate single crystal. The structural, electronic, optical and ferroelectric properties of the potassium-doped LiNbO3 single crystal model have been investigated using a generalized gradient approximation within density functional theory. It was found that substitution with potassium drastically changed the optical and electronic nature of the crystal and that the band gap slightly decreases. A series of LiNbO3 single crystals doped with x mol% K (x = 0, 3, 6, 9, 12 mol%) were successfully grown using the Czochralski method. The crystals were characterized using powder X-ray diffraction, UV-vis-infrared absorption spectroscopy and a ferroelectric property test. The experimental test results were consistent with the calculated predictions.

  8. Thermal and Transmission Properties of UV Nonlinear Optical Material-- ZnCd(SCN)4 Crystal

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Zinc cadmium thiocyanate(ZCTC), ZnCd(SCN)4, has been discovered as a UV second-order nonlinear optical coordination crystal. Its thermal and transmission properties are reported. The thermal decomposition is characterized by using the X-ray powder diffraction (XRPD) and infrared (IR) spectroscopy at room temperature. The absorptions of intrinsic ions and ZCTC in a solution state are discussed as well as transmission properties of the ZCTC crystal. An effective method of reducing the surface reflection loss of ZCTC crystal is introduced.

  9. Synthesis, growth, optical, mechanical and electrical properties of -lysine -lysinium dichloride nitrate (-LLDN) single crystal

    Indian Academy of Sciences (India)

    V Vasudevan; R Ramesh Babu; A Reicher Nelcy; G Bhagavannarayana; K Ramamurthi

    2011-06-01

    Semi-organic nonlinear optical material, -lysine -lysinium dichloride nitrate (2C6H15N2O$^{+}_{2}$.H+.NO$^{-}_{3}$.2Cl-) was synthesized at room temperature. Single crystals of -LLDN were grown by slow cooling solution growth technique. The grown crystal was confirmed by powder X-ray diffraction analysis. The crystalline perfection of the grown single crystal was characterized by high-resolution X-ray diffraction (HRXRD) studies. The cut-off wavelength was determined by UV-vis transmission spectral analysis. The frequency doubling of the grown crystal was confirmed by powder second harmonic generation (SHG) measurement. The refractive index and birefringence of the crystal were determined using He–Ne laser source. Mechanical property of the crystal was determined by Vickers hardness tester. The frequency and temperature dependence of dielectric constant (r), dielectric loss (tan ) and a.c. conductivity (ac) were also measured.

  10. The electric properties and the current-controlled differential negative resistance of cBN crystal

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The electric properties of nonintentionally doped n-cubic boron nitride(cBN) crystal are investigated.The cBN crystal was transformed from hexagonal-boron nitride(h-BN) under high pressure(HP) and high temperature(HT) using magnesium powder as catalyst.At room temperature,the current-voltage(I-V) characteristics of cBN crystal are measured and found to be nonlinear.When the electric field is in the range of(1―1.5)×105 V/cm,the avalanche breakdown occurs inside the whole cBN crystal.At this same time,the bright blue-violet with the wavelength of 380―400 nm from the cBN crystal is observed.When measuring the I-V curve after breakdown of cBN crystal,the current-controlled differential negative resistance phenomenon is observed.The breakdown is repeatable.

  11. Analysis of initial reactions of MALDI based on chemical properties of matrixes and excitation condition.

    Science.gov (United States)

    Lai, Yin-Hung; Wang, Chia-Chen; Chen, Chiu Wen; Liu, Bo-Hong; Lin, Sheng Hsien; Lee, Yuan Tseh; Wang, Yi-Sheng

    2012-08-16

    This investigation concerns the initial chemical reactions that affect the ionization of matrixes in matrix-assisted laser desorption/ionization (MALDI). The study focuses on the relaxations of photon energy that occur on a comparable time scale to that of ionization, in which the available laser energy is shared and the ionization condition is changed. The relaxations include fluorescence, fragmentation, and nonradiative relaxation from the excited state to the ground state. With high absorption cross section and long excited-state lifetime, photoionization of matrix plays an important role if sufficient laser energy is used. Under other conditions, thermal ionization of the molecule in the ground state is predicted to be one of the important reactions. Evidence of change in the branching ratio of initial reactions with the matrix and the excitation wavelength was obtained with α-cyano-4-hydroxycinnamic acid, sinapinic acid, 2,5-dihydroxybenzoic acid, and 2,4,6-trihydroxyacetophenone. These matrixes are studied by obtaining their mixed crystal absorption spectra, fluorescence properties, laser-induced infrared emission, and product ions. The exact ionization pathway depends on the chemical properties of matrixes and the excitation conditions. This concept may explain the diversity of experimental results observed in MALDI experiments, which provides an insight into the ensemble of chemical reactions that govern the generation of ions.

  12. Biochar physico-chemical properties as affected by environmental exposure.

    Science.gov (United States)

    Sorrenti, Giovambattista; Masiello, Caroline A; Dugan, Brandon; Toselli, Moreno

    2016-09-01

    To best use biochar as a sustainable soil management and carbon (C) sequestration technique, we must understand the effect of environmental exposure on its physical and chemical properties because they likely vary with time. These properties play an important role in biochar's environmental behavior and delivery of ecosystem services. We measured biochar before amendment and four years after amendment to a commercial nectarine orchard at rates of 5, 15 and 30tha(-1). We combined two pycnometry techniques to measure skeletal (ρs) and envelope (ρe) density and to estimate the total pore volume of biochar particles. We also examined imbibition, which can provide information about soil hydraulic conductivity. Finally, we investigated the chemical properties, surface, inner layers atomic composition and C1s bonding state of biochar fragments through X-ray photoelectron spectroscopy (XPS). Ageing increased biochar skeletal density and reduced the water imbibition rate within fragments as a consequence of partial pore clogging. However, porosity and the volume of water stored in particles remained unchanged. Exposure reduced biochar pH, EC, and total C, but enhanced total N, nitrate-N, and ammonium-N. X-ray photoelectron spectroscopy analyses showed an increase of O, Si, N, Na, Al, Ca, Mn, and Fe surface (0-5nm) atomic composition (at%) and a reduction of C and K in aged particles, confirming the interactions of biochar with soil inorganic and organic phases. Oxidation of aged biochar fragments occurred mainly in the particle surface, and progressively decreased down to 75nm. Biochar surface chemistry changes included the development of carbonyl and carboxylate functional groups, again mainly on the particle surface. However, changes were noticeable down to 75nm, while no significant changes were measured in the deepest layer, up to 110nm. Results show unequivocal shifts in biochar physical and chemical properties/characteristics over short (~years) timescales.

  13. Chemical properties of the heavier actinides and transactinides

    Energy Technology Data Exchange (ETDEWEB)

    Hulet, E.K.

    1981-01-01

    The chemical properties of each of the elements 99 (Es) through 105 are reviewed and their properties correlated with the electronic structure expected for 5f and 6d elements. A major feature of the heavier actinides, which differentiates them from the comparable lanthanides, is the increasing stability of the divalent oxidation state with increasing atomic number. The divalent oxidation state first becomes observable in the anhydrous halides of californium and increases in stability through the series to nobelium, where this valency becomes predominant in aqueous solution. In comparison with the analogous 4f electrons, the 5f electrons in the latter part of the series are more tightly bound. Thus, there is a lowering of the 5f energy levels with respect to the Fermi level as the atomic number increases. The metallic state of the heavier actinides has not been investigated except from the viewpoint of the relative volatility among members of the series. In aqueous solutions, ions of these elements behave as a normal trivalent actinides and lanthanides (except for nobelium). Their ionic radii decrease with increasing nuclear charge which is moderated because of increased screening of the outer 6p electrons by the 5f electrons. The actinide series of elements is completed with the element lawrencium (Lr) in which the electronic configuration is 5f/sup 14/7s/sup 2/7p. From Mendeleev's periodicity and Dirac-Fock calculations, the next group of elements is expected to be a d-transition series corresponding to the elements Hf through Hg. The chemical properties of elements 104 and 105 only have been studied and they indeed appear to show the properties expected of eka-Hf and eka-Ta. However, their nuclear lifetimes are so short and so few atoms can be produced that a rich variety of chemical information is probably unobtainable.

  14. Crystal structures and dynamical properties of dense CO2.

    Science.gov (United States)

    Yong, Xue; Liu, Hanyu; Wu, Min; Yao, Yansun; Tse, John S; Dias, Ranga; Yoo, Choong-Shik

    2016-10-04

    Structural polymorphism in dense carbon dioxide (CO2) has attracted significant attention in high-pressure physics and chemistry for the past two decades. Here, we have performed high-pressure experiments and first-principles theoretical calculations to investigate the stability, structure, and dynamical properties of dense CO2 We found evidence that CO2-V with the 4-coordinated extended structure can be quenched to ambient pressure below 200 K-the melting temperature of CO2-I. CO2-V is a fully coordinated structure formed from a molecular solid at high pressure and recovered at ambient pressure. Apart from confirming the metastability of CO2-V (I-42d) at ambient pressure at low temperature, results of ab initio molecular dynamics and metadynamics (MD) simulations provided insights into the transformation processes and structural relationship from the molecular to the extended phases. In addition, the simulation also predicted a phase V'(Pna21) in the stability region of CO2-V with a diffraction pattern similar to that previously assigned to the CO2-V (P212121) structure. Both CO2-V and -V' are predicted to be recoverable and hard with a Vicker hardness of ∼20 GPa. Significantly, MD simulations found that the CO2 in phase IV exhibits large-amplitude bending motions at finite temperatures and high pressures. This finding helps to explain the discrepancy between earlier predicted static structures and experiments. MD simulations clearly indicate temperature effects are critical to understanding the high-pressure behaviors of dense CO2 structures-highlighting the significance of chemical kinetics associated with the transformations.

  15. Analysis of Surface Chemistry and Detector Performance of Chemically Process CdZnTe crystals

    Energy Technology Data Exchange (ETDEWEB)

    HOSSAIN, A.; Yang, G.; Sutton, J.; Zergaw, T.; Babalola, O. S.; Bolotnikov, A. E.; Camarda. ZG. S.; Gul, R.; Roy, U. N., and James, R. B.

    2015-10-05

    The goal is to produce non-conductive smooth surfaces for fabricating low-noise and high-efficiency CdZnTe devices for gamma spectroscopy. Sample preparation and results are discussed. The researachers demonstrated various bulk defects (e.g., dislocations and sub-grain boundaries) and surface defects, and examined their effects on the performance of detectors. A comparison study was made between two chemical etchants to produce non-conductive smooth surfaces. A mixture of bromine and hydrogen peroxide proved more effective than conventional bromine etchant. Both energy resolution and detection efficiency of CZT planar detectors were noticeably increased after processing the detector crystals using improved chemical etchant and processing methods.

  16. Primary Chemical Sequence Ultimately Determines Crystal Thickness in Segmented All-Aliphatic Copolymers

    NARCIS (Netherlands)

    Odarchenko, Y.I; Anokhin, D.V.; Doblas, D.; Rosenthal, M.; Hernandez, J.J.; Vidal, L.; Sijbrandi, N.J.; Kimenai, A.J.; Mes, E.P.C.; Broos, R.; Bar, G.; Dijkstra, P.J.; Feijen, J.; Soloviev, M.; Ivanov, D.A.

    2014-01-01

    Thermoplastic elastomers (TPEs) are known to exhibit a phase-separated morphology which depends on their chemical structure and processing. The design of novel TPEs with predefined properties which are also independent of the material thermal history has so far remained a challenge. The focus of thi

  17. BI-LAYER HYBRID BIOCOMPOSITES: CHEMICAL RESISTANT AND PHYSICAL PROPERTIES

    Directory of Open Access Journals (Sweden)

    Mohammad Jawaid,

    2012-02-01

    Full Text Available Bi-layer hybrid biocomposites were fabricated by hand lay-up technique by reinforcing oil palm empty fruit bunch (EFB and jute fibre mats with epoxy matrix. Hybrid composites were prepared by varying the relative weight fraction of the two fibres. The physical (void content, density, dimensional stability, and chemical resistant properties of hybrid composites were evaluated. When the jute fibre loading increased in hybrid composites, physical and chemical resistant properties of hybrid composites were enhanced. Void content of hybrid composites decreased with an increase in jute fibre loading because jute fibres showed better fibre/matrix interface bonding, which leads to a reduction in voids. The density of hybrid composite increased as the quantity of jute fibre loading increased. The hybridization of the jute fibres with EFB composite improved the dimensional stability of the hybrid composites. The performance of hybrid composites towards chemical reagents improved with an increase in jute fibre loading as compared to the EFB composite. The combination of oil palm EFB/jute fibres with epoxy matrix produced hybrid biocomposites material that is competitive to synthetic composites.

  18. Transport Properties of Bi2S3 Single Crystals

    Institute of Scientific and Technical Information of China (English)

    H.T.Shaban; M.M.Nassary; M.S.El-Sadek

    2008-01-01

    Bi2S3 single crystals were grown by using a modification of Bridgman method. Measurements of the electrical conductivity, Hall effect and thermoelectric power (TEP) were preformed in two crystallographic directions(parallel and perpendicular to the c-axis). The measurements showed that the electrical conductivity, Hall mobility, and Seebeck coefficient have anisotropic nature. From these measurements some physical parameters were estimated and the crystals showed n-type of conduction mechanism. Also, values of the energy gap were found to be different in the two directions.

  19. Growth, characterization and dielectric property studies of gel grown barium succinate single crystals

    Indian Academy of Sciences (India)

    M P Binitha; P P Pradyumnan

    2014-05-01

    Single crystals of barium succinate (BaC4H4O4) were grown in silica gel medium using controlled chemical reaction method. Plate-like single crystals of size up to 3 × 2 × 0.2 mm3 was obtained. Single crystal X-ray diffraction (XRD) studies confirmed that structure of the title compound is tetragonal. Powder X-ray diffraction (PXRD) pattern of the grown crystal and the Fourier transform infrared (FT–IR) spectrum in the range 400–4000 cm-1 are recorded. The vibrational bands corresponding to different functional groups are assigned. Thermal stability of the grown crystals is confirmed by differential scanning calorimetry (DSC). Dielectric constant and dielectric loss have been calculated and discussed as a function of frequency at different temperatures.

  20. Nanomechanical properties of selected single pharmaceutical crystals as a predictor of their bulk behaviour.

    Science.gov (United States)

    Egart, Mateja; Janković, Biljana; Lah, Nina; Ilić, Ilija; Srčič, Stanko

    2015-02-01

    The main goal of this research was to assess the mechanical properties of APIs' polymorphic forms at the single-crystal level (piroxicam, famotidine, nifedipine, olanzapine) in order to predict their bulk deformational attributes, which are critical for some pharmaceutical technology processes. The mechanical properties of oriented single crystals were determined using instrumented nanoindentation (continuous stiffness measurement). All polymorphic forms investigated were previously identified using a combination of calorimetric and spectroscopic techniques. Mechanical properties such as Young's modulus and indentation hardness were consistent with the molecular packing of the polymorphic forms investigated with respect to crystal orientation. For mechanically interlocked structures, characteristic of most polymorphic forms, response of single crystals to indentation was isotropic. The material's bulk elastic properties can be successfully predicted by measuring Young's modulus of single crystals because a good linear correlation with a bulk parameter such as the tablets' elastic relaxation index was determined. The results confirm the idea that the intrinsic mechanical properties of pharmaceutical crystals (Young's modulus) largely control and anticipate their deformational behavior during tablet compression. Young's modulus and indentation hardness represent a very valuable and effective tool in preformulation studies for describing materials' mechanical attributes, which are important for technological processes in which materials are exposed to deformation.

  1. High-Rate Growth and Nitrogen Distribution in Homoepitaxial Chemical Vapour Deposited Single-crystal Diamond

    Institute of Scientific and Technical Information of China (English)

    LI Hong-Dong; ZOU Guang-Tian; WANG Qi-Liang; CHENG Shao-Heng; LI Bo; L(U) Jian-Nan; L(U) Xian-Yi; JIN Zeng-Sun

    2008-01-01

    High rate (> 50 μm/h) growth of homoepitaxial single-crystal diamond (SCD) is carried out by microwave plasma chemical vapour deposition (MPCVD) with added nitrogen in the reactant gases of methane and hydrogen,using a polycrystalline-CVD-diamond-film-made seed holder. Photoluminescence results indicate that the nitrogen concentration is spatially inhomogeneous in a large scale,either on the top surface or in the bulk of those as-grown SCDs.The presence of N-distribution is attributed to the facts: (I) a difference in N-incorporation efficiency and (ii) N-diffusion,resulting from the local growth temperatures changed during the high-rate deposition process.In addition,the formed nitrogen-vacancy centres play a crucial role in N-diffusion through the growing crystal.Based on the N-distribution observed in the as-grown crystals,we propose a simple method to distinguish natural diamonds and man-made CVD SCDs.Finally,the disappearance of void defect on the top surface of SCDs is discussed to be related to a filling-in mechanism.

  2. Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.

    Science.gov (United States)

    Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu

    2015-04-08

    Molecules in crystals often suffer from severe limitations on their dynamic processes, especially on those involving large structural changes. Crystalline compounds, therefore, usually fail to realize their potential as dielectric materials even when they have large dipole moments. To enable polar molecules to undergo dynamic processes and to provide their crystals with dielectric properties, weakly bound charge-transfer (CT) complex crystals have been exploited as a molecular architecture where the constituent polar molecules have some freedom of dynamic processes, which contribute to the dielectric properties of the crystals. Several CT crystals of polar tetrabromophthalic anhydride (TBPA) molecules were prepared using TBPA as an electron acceptor and aromatic hydrocarbons, such as coronene and perylene, as electron donors. The crystal structures and dielectric properties of the CT crystals as well as the single-component crystal of TBPA were investigated at various temperatures. Molecular reorientation of TBPA molecules did not occur in the single-component crystal, and the crystal did not show a dielectric response due to orientational polarization. We have found that the CT crystal formation provides a simple and versatile method to develop molecular dielectrics, revealing that the molecular dynamics of the TBPA molecules and the dielectric property of their crystals were greatly changed in CT crystals. The TBPA molecules underwent rapid in-plane reorientations in their CT crystals, which exhibited marked dielectric responses arising from the molecular motion. An order-disorder phase transition was observed for one of the CT crystals, which resulted in an abrupt change in the dielectric constant at the transition temperature.

  3. The study of thermodynamic properties and transport properties of multicomponent systems with chemical reactions

    Directory of Open Access Journals (Sweden)

    Samujlov E.

    2013-04-01

    Full Text Available In case of system with chemical reaction the most important properties are heat conductivity and heat capacity. In this work we have considered the equation for estimate the component of these properties caused by chemical reaction and ionization processes. We have evaluated the contribution of this part in heat conductivity and heat capacity too. At the high temperatures contribution in heat conductivity from ionization begins to play an important role. We have created a model, which describe partial and full ionization of gases and gas mixtures. In addition, in this work we present the comparison of our result with experimental data and data from numerical simulation. We was used the data about transport properties of middle composition of Russian coals and the data of thermophysical properties of natural gas for comparison.

  4. Mechanical properties of fats in relation to their Crystallization.

    NARCIS (Netherlands)

    Kloek, W.

    1998-01-01

    Crystallization in bulk fats is always initiated by a heterogeneous nucleation process. Homogeneous nucleation conditions for fully hydrogenated palm oil (HP) in sunflower oil (SF) could be obtained by emulsifying the fat phase into very fine droplets and using sodium caseinate as an emulsifier. The

  5. Electrospray crystallization for nanosized pharmaceuticals with improved properties

    NARCIS (Netherlands)

    Radacsi, N.; Ambrus, R.; Szunyogh, T.; Szabó-Révész, P.; Stankiewicz, A.; Heijden, A.E.D.M. van der; Horst, J.H. ter

    2012-01-01

    Many new pharmaceuticals have low water solubility, hampering their pharmaceutical activity upon administering. One approach to increase solution concentrations during drug administration is to increase the surface-to-volume ratio by decreasing the crystal product size. Sub-micrometer-sized niflumic

  6. Electrospray crystallization for nanosized pharmaceuticals with improved properties

    NARCIS (Netherlands)

    Radacsi, N.; Ambrus, R.; Szunyogh, T.; Szabó-Révész, P.; Stankiewicz, A.; Heijden, A.E.D.M. van der; Horst, J.H. ter

    2012-01-01

    Many new pharmaceuticals have low water solubility, hampering their pharmaceutical activity upon administering. One approach to increase solution concentrations during drug administration is to increase the surface-to-volume ratio by decreasing the crystal product size. Sub-micrometer-sized niflumic

  7. One dimensional coordination polymers: Synthesis, crystal structures and spectroscopic properties

    Science.gov (United States)

    Karaağaç, Dursun; Kürkçüoğlu, Güneş Süheyla; Şenyel, Mustafa; Şahin, Onur

    2016-11-01

    Two new one dimensional (1D) cyanide complexes, namely [M(4-aepy)2(H2O)2][Pt(CN)4], (4-aepy = 4-(2-aminoethyl)pyridine M = Cu(II) (1) or Zn(II) (2)), have been synthesized and characterized by vibrational (FT-IR and Raman) spectroscopy, single crystal X-ray diffraction, thermal and elemental analyses techniques. The crystallographic analyses reveal that 1 and 2 are isomorphous and isostructural, and crystallize in the monoclinic system and C2 space group. The Pt(II) ions are coordinated by four cyanide-carbon atoms in the square-planar geometry and the [Pt(CN)4]2- ions act as a counter ion. The M(II) ions display an N4O2 coordination sphere with a distorted octahedral geometry, the nitrogen donors belonging to four molecules of the organic 4-aepy that act as unidentate ligands and two oxygen atoms from aqua ligands. The crystal structures of 1 and 2 are similar each other and linked via intermolecular hydrogen bonding, Pt⋯π interactions to form 3D supramolecular network. Vibration assignments of all the observed bands are given and the spectral features also supported to the crystal structures of the complexes.

  8. MISCIBILITY, CRYSTALLIZATION AND MECHANICAL PROPERTIES OF PPC/PBS BLENDS

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    In this paper, melt blends of poly(propylene carbonate) (PPC) with poly(butylene succinate) (PBS) were characterized by dynamic mechanical analysis (DMA), differential scanning calorimetry (DSC), tensile testing, wide-angle X-ray diffraction (WAXD), polarized optical microscopy and thermogravimetric analysis (TGA). The results indicated that the glass transition temperature of PPC in the 90/10 PPC/PBS blend was decreased by about 11 K comparing with that of pure PPC. The presence of 10% PBS was partially miscible with PPC. The 90/10 PPC/PBS blend had better impact and tensile strength than those of the other PPC/PBS blends. The glass transition temperature of PPC in the 80/20, 70/30, and 60/40 PPC/PBS blends was improved by about 4.9 K, 4.2 K, and 13 K comparing with that of pure PPC, respectively; which indicated the immiscibility between PPC and PBS. The DSC results indicated that the crystallization of PBS became more difficult when the PPC content increased. The matrix of PPC hindered the crystallization process of PBS. While the content of PBS was above 20%, significant crystallization-induced phase separation was observed by polarized optical microscopy.It was found from the WAXD analysis that the crystal structure of PBS did not change, and the degree of crystallinity increased with increasing PBS content in the PPC/PBS blends.

  9. New insights on the magnetic properties of ferromagnetic FePd3 single-crystals encapsulated inside carbon nanomaterials

    Science.gov (United States)

    Boi, Filippo S.; Du, Yuxuan; Ivaturi, Sameera; He, Yi; Wang, Shanling

    2017-03-01

    FePd3-type alloys have attracted strong interest due to their unusual pressure-induced Invar behaviour characterized by anomalously low thermal expansion properties. However, little is known about the factors controlling their magnetization properties. Here we present a chemical vapour deposition approach which allows the encapsulation of FePd3 alloys into a spherical type of carbon nanomaterial consisting of concentrically arranged distorted-carbon-layers. A dependence of the magnetic properties of this soft ferromagnetic phase on the crystal-grain-size is found by comparing the results in the present study with those reported in literature. The fabricated samples are characterized in detail by electron microscopy, x-ray and electron diffraction and magnetometry.

  10. Natural Cr3+-rich ettringite: occurrence, properties, and crystal structure

    Science.gov (United States)

    Seryotkin, Yurii V.; Sokol, Ella V.; Kokh, Svetlana N.; Murashko, Mikhail N.

    2017-08-01

    Cr3+-rich ettringite with Cr3+→Al substitution and Cr/(Cr + Al) ratios up to 0.40-0.50 was found in mineral assemblages of the Ma'aleh Adumim area of Mottled Zone (Judean Desert). The Cr3+-rich compositions were the latest in the thaumasite → ettringite-thaumasite solid solution → ettringite → ettringite-bentorite solid solution series. The mineral-forming solution was enriched in Cr3+ and had a pH buffered by afwillite at 11-12. Chromium was inherited from larnite rocks produced by high-temperature combustion metamorphic alteration of bioproductive calcareous sediments. The Cr/(Cr + Al) ratios are within 0.10-0.15 in most of the analysed crystals. This degree of substitution imparts pink colouration to the crystals, but does not affect their habit (a combination of monohedra and a prism). The habit changes to pyramid faces in coarse and later Cr3+-bearing crystals as Cr/(Cr + Al) ratios increase abruptly to 0.40-0.50. Single-crystal XRD analysis of one Cr-free and two Cr3+-rich samples and their structure determination and refinement indicate that the Cr-rich crystals (with Cr/(Cr + Al) to 0.3) preserve the symmetry and metrics of ettringite. The Ca-O bonding network undergoes differentiation with increase of Cr3+ concentration at octahedral M sites. The compression of Ca2 and expansion of Ca1 polyhedra sub-networks correlates with the degree of Cr3+→Al substitution.

  11. On the failure mechanism of chemically embrittled Cu3Au single crystals

    Science.gov (United States)

    Cassagne, T. B.; Flanagan, W. F.; Lichter, B. D.

    1986-04-01

    In order to distinguish between “true” transgranular stress-corrosion cracking (T-SCC) and the “chemical embrittlement” previously described for Cu3Au single crystals (Bakish, AIME Trans., 1957), copper-25 atomic percent gold single crystals were subject to constant deflection (a) while immersed in aqueous ferric chloride or (b) in air after undergoing stress-free corrosion for 10 and 30 days in aqueous ferric chloride. In the conventional stress-corrosion testing mode carried out at the corrosion potential and at applied anodic and cathodic overpotentials, SEM observation and microprobe analysis revealed that characteristic T-SCC fracture surfaces were produced without the occurrence of massive dealloying, at least over a 0.1 micrometer depth. For bending tests in air following stress-free corrosion at the corrosion potential, a 30-day sample was completely converted into a brittle, virtually pure gold “sponge” while retaining the external shape and orientation of the original alloy single crystal. The fracture surface of this sample revealed relatively flat facets separated by irregularly serrated steps, as are seen in conventional cleavage. However, the surface is porous with a mean pore size of ˜0.1 micrometer. For the 10-day sample, bending produced multiple cracks in a massively dealloyed layer (gold-rich sponge). Several of these cracks propagated into the unattacked, normally ductile alloy for distances up to ˜20 micrometers. Interpretation of these results leads to an alternative explanation for the “chemical embrittlement” previously observed and offers significant new insights on the mechanisms of T-SCC.

  12. Structural, optical, thermal and mechanical properties of Urea tartaric acid single crystals

    Science.gov (United States)

    Vinothkumar, P.; Rajeswari, K.; Kumar, R. Mohan; Bhaskaran, A.

    2015-06-01

    Urea tartaric acid (UT) an organic nonlinear optical (NLO) material was synthesized from aqueous solution and the crystals were grown by the slow evaporation technique. The single crystal X-ray diffraction (XRD) analysis revealed that the UT crystal belongs to the orthorhombic system. The functional groups of UT have been identified by the Fourier transform infrared spectral studies. The optical transparent window in the visible and near the IR regions was investigated. The transmittance of UT has been used to calculate the refractive index (n) as a function of the wavelength. The nonlinear optical property of the grown crystal has been confirmed by the Kurtz powder second harmonic generation test. The birefringence of the crystal was determined using a tungsten halogen lamp source. The laser induced surface damage threshold for the grown crystal was measured using the Nd:YAG laser. The anisotropic in mechanical property of the grown crystals was studied using Vicker's microhardness tester at different planes. The etch pit density of UT crystals was investigated. The thermal behavior of UT was investigated using the TG-DTA and DSC studies.

  13. Effects of crystallization fractions on mechanical properties of Zr-based metallic glass matrix composites

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The Zr41Ti14Cu12.5Ni10Be22.5 (at.%) bulk metallic glass composites with various crystallization fractions were prepared by pretreating the bulk metallic glassy samples with pulsing current, and then by isothermal annealing at near initial crystallization temperature for different periods of time. The precipitations and crystallization fractions were studied by X-ray diffraction (XRD) and differential scanning calorimetry (DSC), and their effects on mechanical properties of the composite were studied by microhardness, uniaxial compression test and scanning electron microscopy (SEM). The experimental results show that the primary precipitate is quasicrystalline phase and other metastable phases including Be2Zr, Zr2Cu and FCC would precipitate subsequently. In the initial crystallization process, in which the crystallization fraction increases from 0 to 8.2%, both fracture strength and plastic strain increase, with the maximum plastic strain up to 6.4%. When the crystallization fraction is larger than 8.2%, the fracture strength and the plastic strain decrease sharply. Furthermore, the alloy with low crystallization fraction is fractured by shearing, while for high crystallization fraction it is fractured by splitting and cleavage. The results show that the mechanical properties of the glassy alloy could be optimized by controlling the processing parameters.

  14. Pyroelectric properties and electrocaloric effect in TGS1-xPx single crystals

    Science.gov (United States)

    Sampathkumar, P.; Srinivasan, K.

    2016-10-01

    Triglycine sulfate (TGS) single crystals modified with phosphoric acid (TGS1-xPx) have been grown by slow evaporation technique at room temperature. Lattice parameters were identified by using single crystal x-ray diffractometer. The dielectric, pyroelectric, ferroelectric properties and electrocaloric effect have been investigated. Curie temperature of grown crystals was determined from dielectric constant measurements at various temperatures at a frequency of 1 kHz. The Curie temperature is found decreased for the TGS single crystals with the addition of phosphoric acid. Room temperature P-E hysteresis loops of TGS1-xPx single crystals are presented. The values of coercive field Ec, spontaneous polarization Ps and internal bias field Eb were obtained from the hysteresis loops. Discussion on pyroelectric properties as a function of temperature and applied electric field is presented. Figure of merits (FOMs) were determined to study the pyroelectric performance of the grown crystals. Among all compositions of x, x = 0.2 (i.e., TGS0.8P0.2) single crystals exhibited the largest pyroelectric coefficient and pyroelectric figure of merit at room temperature. From the above investigations the electrocaloric temperature change, ΔT of TGS1-xPx single crystals at selected applied fields and temperatures are obtained by indirect method and discussed.

  15. Novel Propagation Properties of Total Internal Reflection Photonic Crystal Fibres with Rhombic Air Holes

    Institute of Scientific and Technical Information of China (English)

    YAN Hai-Feng; YU Zhong-Yuan; LIU Yu-Min; TIAN Hong-Da; HAN Li-Hong

    2011-01-01

    We investigate the propagation properties of a multi-layer photonic crystal fiber with novel rhombic air holes using the finite element method,and calculate the dependence of the propagation properties on the wavelength in the fiber with different geometrical structural parameters,including the internal angle and the external arrangement of the rhombic air holes.Optimizing these parameters,we design a photonic crystal which exhibits both a small dispersion value and low loss near the wavelength of 1.55 μm.Photonic crystal fibers are known as microstructured optical fibers or multi-hole optical fibers,and their cross sections have periodic structures with hollows in the centers due to one or more missing air holes as shown in Fig.1.The light wave can propagate along this hollow structure,which can be considered as the core of the fiber.According to the light-guiding mechanism,there are two types of photonic crystal fibers:total internal reflection photonic crystal fibers and photonic bandgap photonic crystal fibers.[1] The propagation properties of total internal reflection photonic crystal fibers are determined by the arrangements of holes in the transverse field.[1,2] With the flexibility to control the arrangement,size and shape of the air holes,various photonic crystal fibers with different optical properties can be designed as desired.Recently the microstructural design of photonic crystal fibers has drawn extensive attention over the world.[3] As a novel kind of optical fiber,photonic crystal fibers have been widely used for optoelectronic devices.%We investigate the propagation properties of a multi-layer photonic crystal fiber with novel rhombic air holes using the finite element method, and calculate the dependence of the propagation properties on the wavelength in the fiber with different geometrical structural parameters, including the internal angle and the external arrangement of the rhombic air holes. Optimizing these parameters, we design a photonic

  16. Function, kinetic properties, crystallization, and regulation of microbial malate dehydrogenase

    Institute of Scientific and Technical Information of China (English)

    Tóshiko TAKAHASHI-ÍÑIGUEZ; Nelly ABURTO-RODRÍGUEZ; Ana Laura VILCHIS-GONZÁLEZ; María Elena FLORES

    2016-01-01

    题目:微生物苹果酸脱氢酶的功能、动力学特征、晶体结构以及调控概苹果酸脱氢酶(MDH)广泛存在于动物、植物以及微生物体内,是生物体进行糖代谢的关键酶之一。在辅酶I(NAD+)或辅酶II(NADP+)的作用下,能够催化草酰乙酸和苹果酸之间相互转化。虽然目前真核微生物中MDH已被广泛研究,但是对原核生物中的这种酶却鲜有报道。因此,有必要对MDH的相关研究信息进行综述,以期更好地了解这种酶的功能。本文综述了细菌相关研究的各种数据信息,进一步挖掘MDH的分子多样性,包括分子量、低聚态、辅因子与底物的结合力,以及酶反应方向的差异等。通过对不同细菌来源的MDH的晶体结构的分析,可鉴别底物与辅因子结合的部位以及形成二聚体的重要残基。对这些结构信息的了解将有利于指导研究人员对酶的结构进行修饰从而提高其催化能力,比如增加酶的活性、辅助因子的结合能力、底物特异性和热稳定性等。另外,本文通过分析比较MDH 系统发生树的重建,将其蛋白超家族分成两个主分支,同时在古生菌、细菌和真核微生物等不同细胞的MDH之间建立联系。%Malate dehydrogenase (MDH) is an enzyme widely distributed among living organisms and is a key protein in the central oxidative pathway. It catalyzes the interconversion between malate and oxaloacetate using NAD+ or NADP+ as a cofactor. Surprisingly, this enzyme has been extensively studied in eukaryotes but there are few reports about this enzyme in prokaryotes. It is necessary to review the relevant information to gain a better understanding of the function of this enzyme. Our review of the data generated from studies in bacteria shows much diversity in their molecular properties, including weight, oligomeric states, cofactor and substrate binding affinities, as wel as differ-ences in the direction

  17. Crystal structure and physical properties of a dithiolene complex crystal with adamantane supramolecular rotator

    OpenAIRE

    Yan, Yin-Nan; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi

    2014-01-01

    Supramolecular cation salt of adamantane rotator with a dithiolene complex, (fluoroadamantylammonium(+))([18]-crown-6)[Ni(dmit)(2)](-) (1) was synthesized. The fluorine atom of the adamantane unit showed a large thermal factor elongated latitudinally, suggesting molecular rotation in the solid state. Crystal 1 exhibited a large dielectric response by applying an AC field along the a axis.

  18. Size-dependent optical properties of 9,10-bis(phenylethynyl)anthracene crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yagita, Yoshimi; Matsui, Kazunori, E-mail: matsui@kanto-gakuin.ac.jp

    2015-05-15

    The optical properties of 9,10-bis(phenylethynyl)anthracene (BPEA) were studied for various states: nanoparticles (~100 nm), microcrystals (~1 μm), bulk crystals (~1 mm), and vacuum-deposited film. The absorption spectra showed a red shift from ethanol solution to bulk crystals with an increase in crystal size. The vacuum-deposited film seemed to have mixed spectral characteristics of nanoparticles and bulk crystals. The fluorescence of BPEA showed two peaks for the various crystals. The fluorescence of the shorter wavelength peak was shifted toward the blue from 556 to 527 nm from the bulk to nanoparticles. On the other hand, the position of the longest wavelength peak changed little, staying around 596 nm. The relative intensity of the former and latter increased with a decrease in the crystal size. The time-resolved fluorescence spectra clearly confirmed the existence of two emissive sites in the bulk crystals. These sites are probably located at the peripheral and inner positions of the crystals. Change in the relative proportions of the two sites could be the main reason for the size-dependent fluorescence. - Highlights: ●The optical properties of 9,10-bis(phenylethynyl)anthracene crystals were studied. ●The absorption spectra showed a red-shift with an increase in crystal size. ●The fluorescence spectra showed size-dependent and size-independent peaks. ●A size-dependent peak with a shorter decay is attributed to the surface molecules. ●A size-independent peak with a longer decay is attributed to the bulk crystals.

  19. Effects of Heating Processing on Microstructure and Magnetic Properties of Mn-Zn Ferrites Prepared via Chemical Co-precipitation

    Institute of Scientific and Technical Information of China (English)

    CHEN Shijie; XIA Jingbing; DAI Jianqing

    2015-01-01

    The fine powders of Mn-Zn ferrites with uniform size were prepared via chemical co-precipitation method. X-ray diffraction analysis (XRD), scanning electron microscopy (SEM), vibrating sample magnetometer (VSM), frequency dependence of permeability and metallographical microscope were used to investigate the crystal structure, surface topography and magnetic properties of the powders and the sintering samples. The experimental results demonstrate that the precursor powders have formed a pure phase cubic spinel MnxZn1-xFe2O4 while in the reactor and show deifnite magnetism, which can solve the dififcult issue in washing process effectively. When calcined beneath 450℃, the powders have intact crystal form and the crystallite size is less than 20 nm. Comparison tests of sintering temperatures show that 1 300℃ is the ideal sintering temperature for Mn-Zn ferrites prepared by using the chemical co-precipitation.

  20. Physical-chemical property based sequence motifs and methods regarding same

    Science.gov (United States)

    Braun, Werner [Friendswood, TX; Mathura, Venkatarajan S [Sarasota, FL; Schein, Catherine H [Friendswood, TX

    2008-09-09

    A data analysis system, program, and/or method, e.g., a data mining/data exploration method, using physical-chemical property motifs. For example, a sequence database may be searched for identifying segments thereof having physical-chemical properties similar to the physical-chemical property motifs.

  1. Growth and thermophysical properties of magneto-optical crystal TbVO4

    Science.gov (United States)

    Zhu, Yangyang; Tu, Heng; Jia, Lisha; Yue, Yinchao; Zhao, Ying; Hu, Zhanggui

    2017-03-01

    TbVO4 single crystal with high transmittance has been successfully grown by Czochralski method under highly pure nitrogen atmosphere, which could reduce the loss of growth crucible. The structure of as-grown crystal was verified by X-ray powder diffraction. The refraction indices measurement showed the crystal was an optical uniaxial crystal with large birefringence. The absorption coefficient was calculated taking account into transmittance and reflection, and the results indicated TbVO4 crystal had a low absorption at wavelength range of 440-1100 nm. Thermal properties of TbVO4 crystal were also measured. The specific heat is 0.472 J g-1 K-1 at room temperature. The thermal conductivities at room temperature are 7.216 W m-1 k-1 and 10.305 W m-1 k-1along the a and c directions respectively. XPS spectra showed there were two states of V which demonstrated oxygen vacancies existed in as-grown crystal. But Verdet constant of the crystal is about 60 rad T-1 m-1, and the figure of merit at 1064 nm is 28.9°/dB at 1.2 T, which is about twice than that of TGG. All the results indicate TbVO4 crystal is a candidate to the commercial magneto-optical material at visible and near-infrared regions.

  2. Spin dynamics, electronic, and thermal transport properties of two-dimensional CrPS{sub 4} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pei, Q. L.; Luo, X., E-mail: xluo@issp.ac.cn, E-mail: ypsun@issp.ac.cn; Lin, G. T.; Song, J. Y.; Hu, L.; Song, W. H.; Lu, W. J. [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Zou, Y. M.; Yu, L.; Tong, W. [High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031 (China); Sun, Y. P., E-mail: xluo@issp.ac.cn, E-mail: ypsun@issp.ac.cn [High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031 (China); Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China)

    2016-01-28

    2-Dimensional (2D) CrPS{sub 4} single crystals have been grown by the chemical vapor transport method. The crystallographic, magnetic, electronic, and thermal transport properties of the single crystals were investigated by the room-temperature X-ray diffraction, electrical resistivity ρ(T), specific heat C{sub P}(T), and the electronic spin response (ESR) measurements. CrPS{sub 4} crystals crystallize into a monoclinic structure. The electrical resistivity ρ(T) shows a semiconducting behavior with an energy gap E{sub a} = 0.166 eV. The antiferromagnetic transition temperature is about T{sub N} = 36 K. The spin flipping induced by the applied magnetic field is observed along the c axis. The magnetic phase diagram of CrPS{sub 4} single crystal has been discussed. The extracted magnetic entropy at T{sub N} is about 10.8 J/mol K, which is consistent with the theoretical value R ln(2S + 1) for S = 3/2 of the Cr{sup 3+} ion. Based on the mean-field theory, the magnetic exchange constants J{sub 1} and J{sub c} corresponding to the interactions of the intralayer and between layers are about 0.143 meV and −0.955 meV are obtained based on the fitting of the susceptibility above T{sub N}, which agree with the results obtained from the ESR measurements. With the help of the strain for tuning the magnetic properties, monolayer CrPS{sub 4} may be a promising candidate to explore 2D magnetic semiconductors.

  3. Magnetic and luminescent properties of vanadium-doped ZnSe crystals

    Energy Technology Data Exchange (ETDEWEB)

    Radevici, Ivan, E-mail: ivarad@utu.fi [Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Faculty of Physics and Engineering, Moldova State University, 60 A. Mateevici str., MD-2009 Chisinau (Moldova, Republic of); Nedeoglo, Natalia; Sushkevich, Konstantin [Faculty of Physics and Engineering, Moldova State University, 60 A. Mateevici str., MD-2009 Chisinau (Moldova, Republic of); Huhtinen, Hannu [Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Nedeoglo, Dmitrii [Faculty of Physics and Engineering, Moldova State University, 60 A. Mateevici str., MD-2009 Chisinau (Moldova, Republic of); Paturi, Petriina [Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland)

    2016-12-15

    Magnetic and photoluminescence properties of vanadium-doped ZnSe crystals with impurity concentrations varied by changing the V amount in the source material from 0.03 to 0.30 at% are studied in 5–300 K temperature range. Investigation of magnetic properties shows that the studied concentrations of vanadium impurity that should not disturb crystal lattice are insignificant for observing ferromagnetic behaviour even at low temperatures. The contribution of V impurity to edge emission and its influence on infra-red emission are discussed. Similarities of magnetic and luminescent properties induced by vanadium and other transition metal impurities are discussed.

  4. Studies on optical properties of pure and Mg2+ doped ZTS single crystal

    Science.gov (United States)

    Sumithra Devi, M.; Arthi, A. P.; Thamizharasan, K.

    2014-09-01

    Single crystal of semiorganic nonlinear optical material of pure and Mg2+ doped ZTS were grown by slow evaporation technique from its aqueous solution. The grown crystal was characterized by single crystal XRD to determine the cell parameters. The Mg2+ doped was characterized by SEM and EDX spectrum. The chemical composition of both the pure ZTS and doped Mg2+ crystals were determined by Fourier transform infrared (FTIR). The optical absorption spectrum recorded in the wavelength was ranged from 200 to 2500 nm and its energy gap (Eg) for both pure ZTS is 4.47 eV and doped Mg2+ is 4.42 eV. The mechanical strength of the grown crystal was found from Vicker's microhardness measurements. It showed that pure and doped ZTS crystals are soft in nature. The dielectric measurement was carried out to study the different polarization mechanism and conductivity of the crystal. Photoconductivity studies revealed that the positive photoconductivity of the both were considered as grown crystals.

  5. Nonstoichiometry and luminescent properties of ZnSe crystals grown from the melt at high pressures

    Science.gov (United States)

    Khanh, Tran; Mozhevitina, Elena; Khomyakov, Andrew; Avetisov, Roman; Davydov, Albert; Chegnov, Vladimir; Antonov, Vladimir; Kobeleva, Svetlana; Zhavoronkov, Nikolai; Avetissov, Igor

    2017-01-01

    50 mm diameter ZnSe crystals have been grown from the melt by a vertical Bridgman technique at 100 atm argon pressure in a graphite crucible. 3D impurities concentration and nonstoichiometry mappings of the grown crystals have been defined by ICP-MS and a direct physic-chemical method, correspondingly. Photoluminescence mapping of the analyzed crystal has been done. It was found out that along the crystal height the nonstoichiometry changed from Se excess over stoichiometrical composition in the cone (bottom) part to Zn excess in the tail (upper) part passing through the stoichiometrical composition in the cylindrical part of the crystal. Metal impurities concentrated in the upper part of the crystal. The gas-forming impurities (H, C, O, N, F) had stochastic distribution but Cl impurity concentrated in the crystal peripheral part (near the crucible walls). It was found out that the as-grown crystal had a single wide PL peal with maximum of 583 nm. A proposal about complex structure luminescent center based on Cl dopant an overstoichiometric Se has been made.

  6. SPHERICAL CRYSTALLIZATION OF ZALTOPROFEN FOR ENHANCEMENT OF MICROMERITIC PROPERTIES AND DISSOLUTION RATE

    Directory of Open Access Journals (Sweden)

    E. Hari Krishna*, V. Ram Mohan Gupta and S. Jyothi

    2012-07-01

    Full Text Available The present work deals with the spherical crystallization process by Spherical agglomeration method applied to Zaltoprofen, a novel NSAID drug. The object of present study was to prepare and characterize the spherical agglomeration of water insoluble non-steroidal anti-inflammatory drug. Zaltoprofen spherical agglomerates prepared with poly ethylene glycol, which is hydrophilic polymer by using simple spherical agglomeration technique for enhancing micromeritic properties and dissolution rate. The prepared zaltoprofen spherical agglomerates were examined in terms of flow properties, particle size analysis, compression and dissolution behavior. Physical characters of the crystals were studied for the morphology of crystals using scanning electron microscope (SEM, identification of polymorphism done by x-ray powder diffraction (XPRD and for thermo dynamic properties using differential scanning colorimetry (DSC. The prepared agglomerates were improved the micromeritic properties, packability, wettability, solubility and compaction behavior, as well as dissolution behavior in comparison to pure Zaltoprofen drug.

  7. Photorefractive Properties of Potassium Lithium Niobate Crystals with CeO2 and Nd2O3

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    KLN and Ce:Nd:KLN crystals were grown by Czochralski method and polarized into single ferroelectrics domain along c-axis. The properties of KLN and Ce:Nd:KLN crystals, such as Curie temperature, Raman spectra, exponential gain coefficient (Г) and thin crystal sheet effect, were measured. The results showed that the two spectra resembling Ce:Nd:KLN crystal were of tetragonal tungsten bronze structure, the exponential gain coefficient of Ce:Nd:KLN crystal was higher than that of KLN crystals and Ce:Nd:KLN crystal had thin crystal sheet effect, for its exponential gain coefficient increasing with crystal sheet thinning. The thin crystal sheet effect of Ce:Nd:KLN crystal was also discussed.

  8. Rheological properties of kaolin and chemically simulated waste

    Energy Technology Data Exchange (ETDEWEB)

    Selby, C.L.

    1981-12-01

    The Savannah River Laboratory is conducting tests to determine the best operating conditions of pumps used to transfer insoluble radioactive sludges from old to new waste tanks. Because it is not feasible to conduct these tests with real or chemically simulated sludges, kaolin clay is being used as a stand-in for the solid waste. The rheology tests described herein were conducted to determine whether the properties of kaolin were sufficiently similar to those of real sludge to permit meaningful pump tests. The rheology study showed that kaolin can be substituted for real waste to accurately determine pump performance. Once adequately sheared, kaolin properties were found to remain constant. Test results determined that kaolin should not be allowed to settle more than two weeks between pump tests. Water or supernate from the waste tanks can be used to dilute sludge on an equal volume basis because they identically affect the rheological properties of sludge. It was further found that the fluid properties of kaolin and waste are insensitive to temperature.

  9. MORPHOLOGICAL AND CHEMICAL PROPERTIES OF SELECTED SWEET VIOLET POPULATIONS

    Directory of Open Access Journals (Sweden)

    Renata ERHATIĆ

    2010-10-01

    Full Text Available Sweet violet (Viola odorata L. blooms in continental climate conditions in early spring (March-April with delicate flowers of attractive scent because of which it is frequently gathered from its natural habitats. Differences among the populations were established according to their morphological properties of twelve populations from Križevci area. Stated information indicates that the populations gathered from meadow – habitat are shorter and have a smaller diameter than the populations gathered from the habitat in forest, whereas the population from the orchards has the highest number of leaves and flowers. Correlation analysis shows strong (P<0.01 positive connection of the root mass, leaves mass, number of leaves with the total mass of the plants, as well as connection of the plant mass with the number of flowers. Chemical analysis established agrochemical soil properties and nutrient concentrations in plants. Correlations between the examined properties of violets and soil properties indicate that the potassium concentration in the roots is in strong (P <0.01 correlation with potassium in the soil, whereas phosphorus concentration in flower is in a considerably strong (P<0.05 positive correlation with the phosphorus in the soil.

  10. Study of Aerosol Chemical Composition Based on Aerosol Optical Properties

    Science.gov (United States)

    Berry, Austin; Aryal, Rudra

    2015-03-01

    We investigated the variation of aerosol absorption optical properties obtained from the CIMEL Sun-Photometer measurements over three years (2012-2014) at three AERONET sites GSFC; MD Science_Center and Tudor Hill, Bermuda. These sites were chosen based on the availability of data and locations that can receive different types of aerosols from land and ocean. These absorption properties, mainly the aerosol absorption angstrom exponent, were analyzed to examine the corresponding aerosol chemical composition. We observed that the retrieved absorption angstrom exponents over the two sites, GSFC and MD Science Center, are near 1 (the theoretical value for black carbon) and with low single scattering albedo values during summer seasons indicating presence of black carbon. Strong variability of aerosol absorption properties were observed over Tudor Hill and will be analyzed based on the air mass embedded from ocean side and land side. We will also present the seasonal variability of these properties based on long-range air mass sources at these three sites. Brent Holben, NASA GSFC, AERONET, Jon Rodriguez.

  11. Chemical, Mineralogical, and Morphological Properties of Steel Slag

    Directory of Open Access Journals (Sweden)

    Irem Zeynep Yildirim

    2011-01-01

    Full Text Available Steel slag is a byproduct of the steelmaking and steel refining processes. This paper provides an overview of the different types of steel slag that are generated from basic-oxygen-furnace (BOF steelmaking, electric-arc-furnace (EAF steelmaking, and ladle-furnace steel refining processes. The mineralogical and morphological properties of BOF and electric-arc-furnace-ladle [EAF(L] slag samples generated from two steel plants in Indiana were determined through X-Ray Diffraction (XRD analyses and Scanning Electron Microscopy (SEM studies. The XRD patterns of both BOF and EAF(L slag samples were very complex, with several overlapping peaks resulting from the many minerals present in these samples. The XRD analyses indicated the presence of free MgO and CaO in both the BOF and EAF(L slag samples. SEM micrographs showed that the majority of the sand-size steel slag particles had subangular to angular shapes. Very rough surface textures with distinct crystal structures were observed on the sand-size particles of BOF and EAF(L slag samples under SEM. The characteristics of the steel slag samples considered in this study are discussed in the context of a detailed review of steel slag properties.

  12. Anisotropic magnetic properties and crystal electric field studies on CePd2Ge2 single crystal.

    Science.gov (United States)

    Maurya, Arvind; Kulkarni, R; Dhar, S K; Thamizhavel, A

    2013-10-30

    The anisotropic magnetic properties of the antiferromagnetic compound CePd2Ge2, crystallizing in the tetragonal crystal structure have been investigated in detail on a single crystal grown by the Czochralski method. From the electrical transport, magnetization and heat capacity data, the Néel temperature is confirmed to be 5.1 K. Anisotropic behaviour of the magnetization and resistivity is observed along the two principal crystallographic directions-namely, [100] and [001]. The isothermal magnetization measured in the magnetically ordered state at 2 K exhibits a spin reorientation at 13.5 T for the field applied along the [100] direction, whereas the magnetization is linear along the [001] direction attaining a value of 0.94 μ(B)/Ce at 14 T. The reduced value of the magnetization is attributed to the crystalline electric field (CEF) effects. A sharp jump in the specific heat at the magnetic ordering temperature is observed. After subtracting the phononic contribution, the jump in the heat capacity amounts to 12.5 J K(-1)mol(-1) which is the expected value for a spin ½ system. From the CEF analysis of the magnetization data the excited crystal field split energy levels were estimated to be at 120 K and 230 K respectively, which quantitatively explains the observed Schottky anomaly in the heat capacity. A magnetic phase diagram has been constructed based on the field dependence of magnetic susceptibility and the heat capacity data.

  13. The physical and chemical properties of ultrathin oxide films.

    Science.gov (United States)

    Street, S C; Xu, C; Goodman, D W

    1997-01-01

    Thin oxide films (from one to tens of monolayers) of SiO2, MgO, NiO, Al2O3, FexOy, and TiO2 supported on refractory metal substrates have been prepared by depositing the oxide metal precursor in a background of oxygen (ca 1 x 10(-5) Torr). The thinness of these oxide samples facilitates investigation by an array of surface techniques, many of which are precluded when applied to the corresponding bulk oxide. Layered and mixed binary oxides have been prepared by sequential synthesis of dissimilar oxide layers or co-deposition of two different oxides. Recent work has shown that the underlying oxide substrate can markedly influence the electronic and chemical properties of the overlayer oxide. The structural, electronic, and chemical properties of these ultrathin oxide films have been probed using Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), electron energy loss spectroscopy (ELS), ion-scattering spectroscopy (ISS), high-resolution electron energy loss spectroscopy (HREELS), infrared reflectance absorption spectroscopy (IRAS), temperature-programmed desorption (TPD), scanning tunneling microscopy (STM), and scanning tunneling spectroscopy (STS).

  14. Scintillation properties of solution-grown trans-stilbene single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Zaitseva, Natalia, E-mail: zaitseva1@llnl.gov [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94551 (United States); Glenn, Andrew; Carman, Leslie; Paul Martinez, H.; Hatarik, Robert [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94551 (United States); Klapper, Helmut [Institut für Kristallographie, Jägerstraße 17-19, D-52066 Aachen (Germany); Payne, Stephen [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94551 (United States)

    2015-07-21

    The scintillation properties of trans-stilbene crystals grown for the first time by application of the solution growth technique to the scale of 10 cm are reported. Measurements of the scintillation light output, pulse shape discrimination, and neutron detection efficiency were made with sets of crystals cut as 50 cm diameter cylinders of different lengths from 0.3 to 10 cm. Comparison to liquid scintillators and traditional melt-grown stilbene showed that at increasing sizes new solution-grown crystals exhibit better scintillation performance that makes them promising for use in large scale neutron detectors. Results are discussed in relation to structural imperfections attributed to different methods of growth. - Highlights: • 10-cm-scale trans-stilbene single crystals grown from organic solutions. • Crystals have high optical quality required for fast neutron detection. • Scintillation performance superior to liquids and melt-grown stilbene demonstrated.

  15. Properties of the Sodium Naproxen-Lactose-Tetrahydrate Co-Crystal upon Processing and Storage

    DEFF Research Database (Denmark)

    Sovago, Ioana; Wang, Wenbo; Qiu, Danwen

    2016-01-01

    naproxen-lactose-tetrahydrate co-crystal and the co-amorphous mixture of sodium, naproxen, and lactose was investigated. The structure of the co-crystal is described using single-crystal X-ray diffraction. The structural analysis revealed a monoclinic lattice, space group P21, with the asymmetric unit...... containing one molecule of lactose, one of naproxen, sodium, and four water molecules. Upon heating, it was observed that the co-crystal transforms into a co-amorphous system due to the loss of its crystalline bound water. Dehydration and co-amorphization were studied using synchrotron X-ray radiation......Co-crystals and co-amorphous systems are two strategies to improve the physical properties of an active pharmaceutical ingredient and, thus, have recently gained considerable interest both in academia and the pharmaceutical industry. In this study, the behavior of the recently identified sodium...

  16. Chemical composition and surface charge properties of montmorillonite

    Institute of Scientific and Technical Information of China (English)

    LIU Xiao-wen; HU Min; HU Yue-hua

    2008-01-01

    The effects of the cell parameter and chemical composition on the surface charge properties of five kinds of different colour montmorillonites were studied. The results indicate that the surface isoelectric point(IEP) of the montmorillonite shows positive correlation with the mass fractions of Fe2O3 and K20, but it has little relation to the mass fractions of other chemical compositions. At around pH=6.8, the surface zeta potential of the montmorillonite shows the negative relationship with the mass fractions of Fe2O3 and MgO, but it does not linearly correlate to the mass fractions of other chemical compositions. Cell parameter(b0) of the montmofillonite expresses negative linear relationship with mass fractions of K2O and Na2O, so does c0sinβ with mass fractions of SiO2 and Fe2O3. And there is no specific relationship between bo and IEP of different montmori Uonites, but there is positive correlation between c0sinβ and IEP of different montmorillonite samples.

  17. Theoretical investigation of chemical and physical properties of gaseous fuels

    Energy Technology Data Exchange (ETDEWEB)

    Hermann, Fredrik

    1999-12-01

    This thesis is discussing the chemical and physical properties of different gaseous fuels. A mapping of about seventy gaseous fuels resulted in eleven type gases, these gases have mainly five components (inerts, H{sub 2}, CO, CH{sub 4} and higher order of hydrocarbons) of different quantities. Calculations of heating value and Wobbe number have been done. Dew point temperatures have been estimated by using three different programs. Flammability limits, laminar flame speed and auto ignition temperatures have been calculated by using a kinetic and chemical program developed by Mauss. Flammability limits have been compared with Le Chatelier's law and measurements. Problems related to combustion such as flash back, lift off and instability are closely connected with flame speed and flow patterns. These problems are discussed in terms of laminar flame speed and Reynolds' number. The main results of this study were: Auto ignition temperature for gas mixtures behavior is very complex and unpredictable. In general small quantities of hydrogen decrease the temperature of auto ignition. The calculations of flammability limits by the kinetic and chemical software showed good agreement to measurements. Low Btu gases requires large flow area in order to avoid large pressure drop.

  18. Chemical properties of two-year-old deciduous species

    Energy Technology Data Exchange (ETDEWEB)

    Chow, P.; Rolfe, G.L.; Lee, C.S.; White, T.A.

    1983-01-01

    Contents of ash, hot-water extractives, 1% sodium hydroxide extractives, alcohol-benzene extractive, lignin, holocellulose, alpha-cellulose, and pentosan were determined on two-year-old, short-rotation trees of autumn olive, black alder, black locust, eastern cottonwood, royal paulownia, silver maple, and sycamore. These plantations were established in 1978 on marginal agricultural land that was not suitable for food production in Illinois. Six comparable species of commercial lumber were also analyzed. Test results indicated that all chemical properties did vary with species, above-ground tree portions, and ages of species. The two-year-old juvenile trees had higher average extractives, holocellulose, pentosan, and ash content than did the lumber of matured wood. Black locust possessed the highest values of holocellulose and alpha-cellulose, while the eastern cottonwood had the highest extractive contents. Silver maple had the highest lignin content. Both bark and branches which consisted of about 32% of the mass weight of young trees, had a higher average lignin, extractive and ash content than those of the stemwood. Based on chemical composition, these seven juvenile deciduous species could serve as a raw material for the paper and chemical industries, as well as for energy. 19 references, 8 figures, 6 tables.

  19. [Method for study of phase transitions in evaporating drop and its application for evaluation of physical-chemical properties of water and water solutions].

    Science.gov (United States)

    Iakhno, T A; Sanin, A G; Sanina, O A; Iakhno, V G

    2012-01-01

    Spatial-temporal crystallization features of inorganic chlorides in evaporating drops of water solutions, considering solid surface wettability, were studied using a microscopic technique and the acoustical impedansometry. Physical-chemical mechanisms responsible for the difference in "dynamical portraits" of distilled water and salt solutions, as well as relaxation effects in water were discussed. The study demonstrated the potential use of a drying drop method in registration of changes in water properties under the action of physical and chemical factors.

  20. Reflectance properties of one-dimensional metal-dielectric ternary photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, G. N., E-mail: gnpandey2009@gmail.com [Department of Physics, Amity Institute of Applied Sciences, AmityUniversity, Noida (U.P.) (India); Kumar, Narendra [Department of Physics (CASH), Modi University of Science and Technology, Lakshmangarh, Sikar, Rajsthan (India); Thapa, Khem B. [Department of Physics, U I E T, ChhatrapatiShahu Ji Maharaj University, Kanpur- (UP) (India); Ojha, S. P. [Department of Physics IIT, Banaras Hindu University (India)

    2016-05-06

    Metallic photonic crystal has a very important application in absorption enhancement in solar cells. It has been found that an ultra-thin metallic layer becomes transparent due to internal scattering of light through the each interface of the dielectric and metal surfaces. The metal has absorption due to their surface plasmon and the plasmon has important parameters for changing optical properties of the metal. We consider ternary metallic-dielectric photonic crystal (MDPC) for having large probabilities to change the optical properties of the MDPC and the photonic crystals may be changed by changing dimensionality, symmetry, lattice parameters, Filling fraction and effective refractive index refractive index contrast. In this present communication, we try to show that the photonic band gap in ternary metal-dielectric photonic crystal can be significantly enlarged when air dielectric constant is considered. All the theoretical analyses are made based on the transfer matrix method together with the Drude model of metal.

  1. The effect of linear imperfection in [001] direction on the thermal properties of silver crystal

    Directory of Open Access Journals (Sweden)

    J Davoodi

    2013-09-01

    Full Text Available  The aim of this investigation was to calculate the thermal properties of silver crystal in the presence of linear imperfection. The simulations were performed by molecular dynamics simulation technique in NPT as well as NVT ensemble based on quantum Sutton-Chen many body potential. The thermal properties including cohesive energy, melting temperature, isobaric heat capacity and thermal expansion of imperfect silver crystal were calculated and compared to those of the perfect crystal. Moreover, the quantities such as radial distribution function, order parameter and lindemann index were calculated in order to obtain information on crystal structure and disorder in atoms. All calculations were done both with liner imperfection in [001] direction and without imperfection at different temperature. The simulation results show that cohesive energy, linear thermal expansion coefficient increase and melting temperature, latent heat of fusion decrease with increasing linear imperfection. Also, the results show that linear imperfection has no effect on the heat capacity.

  2. Reflectance properties of one-dimensional metal-dielectric ternary photonic crystal

    Science.gov (United States)

    Pandey, G. N.; Kumar, Narendra; Thapa, Khem B.; Ojha, S. P.

    2016-05-01

    Metallic photonic crystal has a very important application in absorption enhancement in solar cells. It has been found that an ultra-thin metallic layer becomes transparent due to internal scattering of light through the each interface of the dielectric and metal surfaces. The metal has absorption due to their surface plasmon and the plasmon has important parameters for changing optical properties of the metal. We consider ternary metallic-dielectric photonic crystal (MDPC) for having large probabilities to change the optical properties of the MDPC and the photonic crystals may be changed by changing dimensionality, symmetry, lattice parameters, Filling fraction and effective refractive index refractive index contrast. In this present communication, we try to show that the photonic band gap in ternary metal-dielectric photonic crystal can be significantly enlarged when air dielectric constant is considered. All the theoretical analyses are made based on the transfer matrix method together with the Drude model of metal.

  3. Synthesis, crystal growth and studies on non-linear optical property of new chalcones

    Science.gov (United States)

    Sarojini, B. K.; Narayana, B.; Ashalatha, B. V.; Indira, J.; Lobo, K. G.

    2006-09-01

    The synthesis, crystal growth and non-linear optical (NLO) property of new chalcone derivatives are reported. 4-Propyloxy and 4-butoxy benzaldehydes were made to under go Claisen-Schmidt condensation with 4-methoxy, 4-nitro and 4-phenoxy acetophenones to form corresponding chalcones. The newly synthesized compounds were characterized by analytical and spectral data. The Second harmonic generation (SHG) efficiency of these compounds was measured by powder technique using Nd:YAG laser. Among tested compounds three chalcones showed NLO property. The chalcone 1-(4-methoxyphenyl)-3-(4-propyloxy phenyl)-2-propen-1-one exhibited SHG conversion efficiency 2.7 times that of urea. The bulk crystal of 1-(4-methoxyphenyl)-3-(4-butoxyphenyl)-2-propen-1-one (crystal size 65×28×15 mm 3) was grown by slow-evaporation technique from acetone. Microhardness of the crystal was tested by Vicker's microhardness method.

  4. Investigation on structural, optical, thermal, mechanical and dielectric properties of L-proline cadmium chloride monohydrate single crystals: An efficient NLO material

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Preeti; Hasmuddin, Mohd [Crystal Growth and XRD Lab, Department of Physics, Jamia Millia Islamia, New Delhi 110 025 (India); Shakir, Mohd [Crystal Growth and XRD Lab, Department of Physics, Jamia Millia Islamia, New Delhi 110 025 (India); CSIR-National Physical Laboratory, New Delhi 110 012 (India); Department of Physics, ARSD College, University of Delhi, New Delhi 110021 (India); Vijayan, N. [Department of Physics, Kakatiya University, Warangal 506 009 (India); Abdullah, M.M. [Crystal Growth and XRD Lab, Department of Physics, Jamia Millia Islamia, New Delhi 110 025 (India); Advanced Materials and Nano-research Centre (AMNC), Faculty of Science and Arts, Najran University, P.O. Box-1988, Najran 11001 (Saudi Arabia); Ganesh, V. [Department of Physics, Kakatiya University, Warangal 506 009 (India); Wahab, M.A., E-mail: aries.pre84@gmail.com [Crystal Growth and XRD Lab, Department of Physics, Jamia Millia Islamia, New Delhi 110 025 (India)

    2013-10-01

    In the present work, we have grown single crystals of L-proline cadmium chloride monohydrate (LPCCM) by slow evaporation solution technique (SEST) at room temperature and recorded their live growth kinetics with the help of inverted microscope. Crystal size at various stages of growth and its corresponding morphology was also recorded. Powder X-ray diffraction (PXRD) analysis of LPCCM single crystals confirmed the orthorhombic structure. Respective values of crystallite size, strain and dislocation density have been calculated using PXRD data. Metal complex coordination of the single crystal is studied by FTIR spectroscopic. The optical properties of the grown crystals were investigated through UV–VIS spectroscopic studies and shows that the crystals have very low absorption in entire characterized wavelength range 200–800 nm. The optical band gap was calculated and found to be ∼5.6 eV. Optical constants of the material is determined by theoretical calculations. The chemical etching study was also carried out to study the density of defects in the grown crystals. The photoluminous excitation and emission spectra and thermal property by TGA/DTA curve were recorded. Further, the mechanical properties have been studied using Vicker's microhardness tester as well as many parameters such as fracture toughness (K{sub c}), Brittleness index (B{sub i}) and yield strength (σ{sub ν}) are presented. Dielectric studies have been carried out with varying frequency and temperatures. - Highlights: • The morphology of LPCCM crystal was observed during growth under inverted microscope. • Observation also shows defects also grows with the growth of crystal. • Positive temperature coefficient is observed. • The optical study shows its suitability for photonics and optical applications.

  5. EFFECT OF ALTERNATIVE MULTINUTRIENT SOURCES ON SOIL CHEMICAL PROPERTIES

    Directory of Open Access Journals (Sweden)

    Vanessa Martins

    2015-02-01

    Full Text Available The current high price of potassium chloride and the dependence of Brazil on imported materials to supply the domestic demand call for studies evaluating the efficiency of alternative sources of nutrients. The aim of this work was to evaluate the effect of silicate rock powder and a manganese mining by-product, and secondary materials originated from these two materials, on soil chemical properties and on brachiaria production. This greenhouse experiment was conducted in pots with 5 kg of soil (Latossolo Vermelho-Amarelo distrófico - Oxisol. The alternative nutrient sources were: verdete, verdete treated with NH4OH, phonolite, ultramafic rock, mining waste and the proportion of 75 % of these K fertilizers and 25 % lime. Mixtures containing 25 % of lime were heated at 800 ºC for 1 h. These sources were applied at rates of 0, 150, 300, 450 and 600 kg ha-1 K2O, and incubated for 45 days. The mixtures of heated silicate rocks with lime promoted higher increases in soil pH in decreasing order: ultramafic rock>verdete>phonolite>mining waste. Applying the mining waste-lime mixture increased soil exchangeable K, and available P when ultramafic rock was incorporated. When ultramafic rock was applied, the release of Ca2+ increased significantly. Mining subproduct released the highest amount of Zn2+ and Mn2+ to the soil. The application of alternative sources of K, with variable chemical composition, altered the nutrient availability and soil chemical properties, improving mainly plant development and K plant uptake, and are important nutrient sources.

  6. Cover Crops Effects on Soil Chemical Properties and Onion Yield

    Directory of Open Access Journals (Sweden)

    Rodolfo Assis de Oliveira

    2016-01-01

    Full Text Available ABSTRACT Cover crops contribute to nutrient cycling and may improve soil chemical properties and, consequently, increase crop yield. The aim of this study was to evaluate cover crop residue decomposition and nutrient release, and the effects of these plants on soil chemical properties and on onion (Allium cepa L. yield in a no-tillage system. The experiment was carried out in an Inceptisol in southern Brazil, where cover crops were sown in April 2012 and 2013. In July 2013, shoots of weeds (WD, black oats (BO, rye (RY, oilseed radish (RD, oilseed radish + black oats (RD + BO, and oilseed radish + rye (RD + RY were cut at ground level and part of these material from each treatment was placed in litter bags. The litter bags were distributed on the soil surface and were collected at 0, 30, 45, 60, 75, and 90 days after distribution (DAD. The residues in the litter bags were dried, weighed, and ground, and then analyzed to quantify lignin, cellulose, non-structural biomass, total organic carbon (TOC, N, P, K, Ca, and Mg. In November 2012 and 2013, onion crops were harvested to quantify yield, and bulbs were classified according to diameter, and the number of rotted and flowering bulbs was determined. Soil in the 0.00-0.10 m layer was collected for chemical analysis before transplanting and after harvesting onion in December 2012 and 2013. The rye plant residues presented the highest half-life and they released less nutrients until 90 DAD. The great permanence of rye residue was considered a protection to soil surface, the opposite was observed with spontaneous vegetation. The cultivation and addition of dry residue of cover crops increased the onion yield at 2.5 Mg ha-1.

  7. Chemical Modification Effect on the Mechanical Properties of Coir Fiber

    Directory of Open Access Journals (Sweden)

    Samia Sultana Mir

    2012-04-01

    Full Text Available Natural fiber has a vital role as a reinforcing agent due to its renewable, low cost, biodegradable, less abrasive and eco-friendly nature. Whereas synthetic fibers like glass, boron, carbon, metallic, ceramic and inorganic fibers are expensive and not eco-friendly. Coir is one of the natural fibers easily available in Bangladesh and cheap. It is derived from the husk of the coconut (Cocos nucifera. Coir has one of the highest concentrations of lignin, which makes it stronger. In recent years, wide range of research has been carried out on fiber reinforced polymer composites [4-13].The aim of the present research is to characterize brown single coir fiber for manufacturing polymer composites reinforced with characterized fibers. Adhesion between the fiber and polymer is one of factors affecting the strength of manufactured composites. In order to increase the adhesion, the coir fiber was chemically treated separately in single stage (with Cr2(SO43•12(H2O and double stages (with CrSO4 and NaHCO3. Both the raw and treated fibers were characterized by tensile testing, Fourier transform infrared (FTIR spectroscopic analysis, scanning electron microscopic analysis. The result showed that the Young’s modulus increased, while tensile strength and strain to failure decreased with increase in span length. Tensile properties of chemically treated coir fiber was found higher than raw coir fiber, while the double stage treated coir fiber had better mechanical properties compared to the single stage treated coir fiber. Scanning electron micrographs showed rougher surface in case of the raw coir fiber. The surface was found clean and smooth in case of the treated coir fiber. Thus the performance of coir fiber composites in industrial application can be improved by chemical treatment.

  8. Meteorology. Subvol. b. Physical and chemical properties of the air

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, G. (ed.); Bakan, S.; Hinzpeter, H. (Max-Planck-Institut fuer Meteorologie, Hamburg (Germany, F.R.)); Hoeller, H. (Deutsche Forschungs- und Versuchsanstalt fuer Luft- und Raumfahrt e.V. (DFVLR), Wessling (Germany, F.R.). Inst. fuer Physik der Atmosphaere); Jaenicke, R. (Mainz Univ. (Germany, F.R.). Inst. fuer Meteorologie); Jeske, H. (Hamburg Univ. (Germany, F.R.). Meteorologisches Inst.); Laube, M. (Koeln Univ. (Germany, F.R.). Inst. fuer Geophysik und Meteorologie); Volland, H. (Bonn Univ. (Germany, F.R.). Radioastronomisches Inst.); Warneck, P.; Wurzinger, C. (Max-Planck-Institut fuer Chemie (Otto-Hahn-Institut), Mainz (Germany, F.R.))

    1988-01-01

    Regarding the physical properties, Chapter 5 'Cloud physics' describes the principles and parameters governing the complex mechanisms of cloud formation and precipitation. Further, the field of electromagnetic wave propagation in the atmosphere is discussed. Because of their relevance to climate, the two parts of the spectrum mentioned in Chapter 6 'Atmospheric radiation' deserve special attention; they cover the solar radiative flux into the atmosphere (wavelengths 0.3 ... 4 ..mu..m) and the terrestrial outgoing radiation (wavelengths 4 ... 60 ..mu..m). In this domain the interaction of radiation with the chemical constituents and admixtures of the atmosphere as well as the interaction with clouds are important. Radiation is tightly related to the optical properties of the atmosphere and to radiometeorology concerned with the propagation of radiowaves (wavelengths 1 mm ... 10 m) which depends on meteorological conditions. 'Atmospheric electricity' is presented in Chapter 8, where data and information on the sources and sinks of the quasi-static atmospheric electric field, the role of thunderstorm activity, the global ring current and low-frequency electromagnetic waves are discussed. Data on the effects of aerosols, i.e. admixtures of gaseous, liquid or solid phase organic or non-organic matter, is given in Chapter 9 'Aerosol physics and chemistry' which has a close connection to Chapter 5. The last contribution, Chapter 10 'Chemical composition of and chemical reactions in the atmosphere' particularly discusses trace gases, which, similar to aerosols, despite their low concentration have a large impact on climate. Changes of the concentration of trace gases may be caused by anthropogenic influences and were found to have done so already.

  9. Effects of scalp dermatitis on chemical property of hair keratin

    Science.gov (United States)

    Kim, Kyung Sook; Shin, Min Kyung; Park, Hun-Kuk

    2013-05-01

    The effects of scalp dermatitis (seborrheic dermatitis (SD), psoriasis, and atopic dermatitis (AD)) on chemical properties of hair keratin were investigated by Fourier transform infrared (FT-IR) spectroscopy. Hairs were collected from lesional regions affected by SD, psoriasis, and AD and non-lesional regions separately. The hairs with SD were taken from patients with ages of 16-80 years. The ages of patients with psoriasis ranged from 8 to 67 years, and all patients exhibited moderate disease. Hairs with AD were taken from the patients with ages of 24-45 years and the average SCORing atopic dermatitis (SCORAD) was 48.75. Hairs from 20 normal adults were collected as a control. The FT-IR absorbance bands were analyzed by the Gaussian model to obtain the center frequency, half width, height, and area of each band. The height and area of all bands in the spectra were normalized to the amide I centered at 1652 cm-1 to quantitatively analyze the chemical composition of keratin. The spectra of hair with scalp dermatitis were different with that of control, the amide A components centered at 3278 cm-1 were smaller than those of the control. The psoriasis hair showed a large difference in the IR absorbance band between lesional and non-lesional hairs indicating good agreement with the morphological changes. The hairs with diseases did not show differences in the content of cystine, which was centered at 1054 cm-1, from the control. The chemical properties of keratin were not significantly different between the hairs affected by SD, psoriasis, and AD. However, the changes induced by scalp dermatitis were different with weathering. Therefore, FT-IR analysis could be used to screen differences between the physiological and pathological conditions of scalp hair.

  10. Biochar physico-chemical properties as affected by environmental exposure

    Energy Technology Data Exchange (ETDEWEB)

    Sorrenti, Giovambattista, E-mail: g.sorrenti@unibo.it [Department of Agricultural Sciences, University of Bologna, viale G. Fanin 44, 40127 Bologna (Italy); Masiello, Caroline A., E-mail: masiello@rice.edu [Departments of Earth Science, BioSciences, and Chemistry, Rice University, Houston, TX 77005 (United States); Dugan, Brandon, E-mail: dugan@rice.edu [Department of Earth Science, Rice University, Houston, TX 77005 (United States); Toselli, Moreno, E-mail: moreno.toselli@unibo.it [Department of Agricultural Sciences, University of Bologna, viale G. Fanin 44, 40127 Bologna (Italy)

    2016-09-01

    To best use biochar as a sustainable soil management and carbon (C) sequestration technique, we must understand the effect of environmental exposure on its physical and chemical properties because they likely vary with time. These properties play an important role in biochar's environmental behavior and delivery of ecosystem services. We measured biochar before amendment and four years after amendment to a commercial nectarine orchard at rates of 5, 15 and 30 t ha{sup −1}. We combined two pycnometry techniques to measure skeletal (ρ{sub s}) and envelope (ρ{sub e}) density and to estimate the total pore volume of biochar particles. We also examined imbibition, which can provide information about soil hydraulic conductivity. Finally, we investigated the chemical properties, surface, inner layers atomic composition and C1s bonding state of biochar fragments through X-ray photoelectron spectroscopy (XPS). Ageing increased biochar skeletal density and reduced the water imbibition rate within fragments as a consequence of partial pore clogging. However, porosity and the volume of water stored in particles remained unchanged. Exposure reduced biochar pH, EC, and total C, but enhanced total N, nitrate-N, and ammonium-N. X-ray photoelectron spectroscopy analyses showed an increase of O, Si, N, Na, Al, Ca, Mn, and Fe surface (0–5 nm) atomic composition (at%) and a reduction of C and K in aged particles, confirming the interactions of biochar with soil inorganic and organic phases. Oxidation of aged biochar fragments occurred mainly in the particle surface, and progressively decreased down to 75 nm. Biochar surface chemistry changes included the development of carbonyl and carboxylate functional groups, again mainly on the particle surface. However, changes were noticeable down to 75 nm, while no significant changes were measured in the deepest layer, up to 110 nm. Results show unequivocal shifts in biochar physical and chemical properties/characteristics over

  11. Interface properties of (Cd,Zn)S/CuInSe/sub 2/ single-crystal solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Abou-Elfotouh, F.A.; Kazmerski, L.L.; Coutts, T.J.; Matson, R.J.; Asher, S.E.; Nelson, A.J.; Swartzlander-Franz, A.B.

    1989-05-01

    Metal contacts to p-type CuInSe/sub 2/ and heterojunctions of the form n-(CdZn)S/p-CuInSe/sub 2/ have been prepared, to investigate the electrical behavior and chemical composition of the resulting interfaces and to correlate the results with the composition and corresponding electrical properties of CuInSe/sub 2/ . The results indicate that the observed variability of the back contacts and front junctions of different CuInSe/sub 2/ samples can be attributed to the variable initial equilibrium concentration of the intrinsic defect states which dominate the crystals. The type and concentration of the dominant defects can be changed by thermal treatments and by interface induced effects due to the junction electric field and the chemical potential gradients. Diffusion into or out of the CuInSe/sub 2/ crystals was not detected. More over, no composition or other chemical variation due to the deposition of the sulfide layer was observed.

  12. Transmission Frequency Properties of Elastic Waves along a Hetero-Phononic Crystal Waveguide

    Institute of Scientific and Technical Information of China (English)

    YAO Yuan-Wei; HOU Zhi-Lin; LIU You-Yan

    2007-01-01

    We investigate the propagation properties of hetero-phononic crystal waveguides by the improved eigen-mode matching theory, which can be used at same time to calculate both the transmission (reflection) coefficient and band structure. The numerical results show that the transmission frequency range is the same as the common range for two uniform waveguides composing the hetero-system, and the gap of any composite waveguide is also the gap of the hetero-phononic crystals waveguide.

  13. Crystal structure prediction and electronic properties of Li-based ternary compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vergniory, Maia G.; Sanna, Antonio; Ernst, Arthur; Romero, Aldo H.; Gross, Eberhard K.U. [Max Planck Institute of Microstructure Physics, 06120 Halle (Germany); Marques, Miguel A.L.; Botti, Silvana; Valencia, Irais [Universite de Lyon, F-69000 Lyon, France and LPMCN, CNRS, UMR 5586, Universite Lyon 1, F-69622 Villeurbanne (France); Amsler, Max; Goedecker, Stefan [Department of Physics, Universitaet Basel, Klingelbergstr. 82, 4056 Basel (Switzerland); Chulkov, Evgueni V. [Donostia International Physics Center, 20018 Donostia-San Sebastian (Spain)

    2013-07-01

    On the basis of ab initio first principles and using the Minimal Hopping Algorithm we predict the crystal structure of non synthesized LiYZ (Y=Au,Ag, Z=Te,Se) based ternary compounds. We find that, as distinct from expectation, the crystal structure depends strongly on the composition, thus every compound belongs to a different symmetry group and has complexly different electronic properties. We analyze the fundamental physics below these features considering the calculated ground state structure.

  14. Chemical Precipitation Synthesis and Thermoelectric Properties of Copper Sulfide

    Science.gov (United States)

    Wu, Sixin; Jiang, Jing; Liang, Yinglin; Yang, Ping; Niu, Yi; Chen, Yide; Xia, Junfeng; Wang, Chao

    2017-04-01

    Earth-abundant copper sulfide compounds have been intensively studied as potential thermoelectric materials due to their high dimensionless figure of merit ZT values. They have a unique phonon-liquid electron-crystal model that helps to achieve high thermoelectric performance. Many methods, such as melting and ball-milling, have been adopted to synthesize this copper sulfide compound, but they both use expensive starting materials with high purity. Here, we develop a simple chemical precipitation approach to synthesize copper sulfide materials through low-cost analytically pure compounds as the starting materials. A high ZT value of 0.93 at 800 K was obtained from the samples annealed at 1273 K. Its power factor is around 8.0 μW cm-1 K-2 that is comparable to the highest record reported by traditional methods. But, the synthesis here has been greatly simplified with reduced cost, which will be of great benefit to the potential mass production of thermoelectric devices. Furthermore, this method can be applied to the synthesis of other sulfur compound thermoelectric materials.

  15. Holographic Storage Properties of In:Fe:Mn:LiNbO3 Crystals

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    In:Fe:Mn:LiNbO3(LN) crystals were grown in air atmosphere by Czochralski method with different concentration of In (0, 1, 2, 3 mol%) in the melts, while the contents of Fe2O3 and MnO were 0.1 and 0.5 mol%, respectively. The location of doping ions was analyzed by Ultravioletvisible absorption spectra and differential thermal analysis. The diffraction efficiency (η), writing time (τw) and erasure time (τe) of the crystals were measured by two-beam coupling experiment. The dynamic range and photorefractive sensitivity have also been calculated. The results showed that with the increase of In ions in the melt, the absorption edge of In:Fe:Mn:LN crystal shifts to the violet firstly and then makes the Einstein shift, the Curie temperature of crystal increases firstly and then decreases, the storage ratio speeds up, diffraction efficiency decreases, and dynamic range and photorefractive sensitivity increase. The mechanism of holographic storage properties of In:Fe:Mn:LN crystal with different doping concentration of In3+ was investigated, suggesting the In:Fe:Mn:LN crystals are excellent holographic storage materiel with better synthetical properties than Fe:Mn:LN crystals.

  16. Physical properties of BeAl{sub 6}O{sub 10} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Pestryakov, E.V.; Petrov, V.V.; Zubrinov, I.I.; Semenov, V.I.; Trunov, V.I.; Kirpichnikov, A.V. [Department of Quantum Electronics, Institute of Semiconductor Physics, Novosibirsk 630090 (Russia); Alimpiev, A.I. [Design and Technological Institute of Monocrystals, Novosibirsk 630058 (Russia)

    1997-10-01

    Single crystals of BeAl{sub 6}O{sub 10}, beryllium hexaaluminate, were grown by the Czochralski method. The optical, acousto-optical, elastic, and a number of thermo-mechanical properties of bulk crystals of BeAl{sub 6}O{sub 10} were investigated in comparison with crystal of BeAl{sub 2}O{sub 4}, chrysoberyl. It has been demonstrated that this material is the promising host for active media of tunable solid state lasers. {copyright} {ital 1997 American Institute of Physics.}

  17. Theoretical analysis of static properties of mixed ionic crystal: NH4Cl1−Br

    Indian Academy of Sciences (India)

    D Rawat; N K Gaur; Sadhna Singh; A Gour

    2009-12-01

    In the present paper, we have investigated the static properties of the mixed ionic crystal NH4Cl1−Br using three-body potential model (TBPM) by the application of Vegard’s law. The results for the mixed crystal counterparts are also in fair agreement with the pseudo-experimental data generated from the application of Vegard’s law. The results for the end point members ( = 0 and 1) are in good agreement with the experimental data. The results on compressibility, molecular force constant, infrared absorption frequencies and Debye temperature are presented probably for the first time for these mixed crystal counterparts.

  18. Photonic crystal digital alloys and their band structure properties.

    Science.gov (United States)

    Lee, Jeongkug; Kim, Dong-Uk; Jeon, Heonsu

    2011-09-26

    We investigated semi-disordered photonic crystals (PCs), digital alloys, and made thorough comparisons with their counterparts, random alloys. A set of diamond lattice PC digital alloys operating in a microwave regime were prepared by alternately stacking two kinds of sub-PC systems composed of alumina and silica spheres of the same size. Measured transmission spectra as well as calculated band structures revealed that when the digital alloy period is short, band-gaps of the digital alloys are practically the same as those of the random alloys. This study indicates that the concept of digital alloys holds for photons in PCs as well.

  19. Properties of atomic intercalated boron nitride K4 type crystals

    OpenAIRE

    Itoh, Masahiro; Takami, Seiichi; Kawazoe, Yoshiyuki; Adschiri, Tadafumi

    2010-01-01

    The stability of atomic intercalated boron nitride K4 crystal structures, XBN (X=H, Li, Be, B, C, N, O, F, Na, Mg, Al, Si, P, S, Cl, K, Ca, Ga, Ge, As, Se, Br, Rb or Sr) is evaluated by the geometric optimization and frozen phonon calculations based on the first principles calculations. NaBN, MgBN, GaBN, FBN and ClBN are found to be stable. NaBN, GaBN, FBN and ClBN are metallic, whereas MgBN is semiconducting.

  20. Properties of atomic intercalated carbon K4 crystals

    OpenAIRE

    Itoh, Masahiro; Takami, Seiichi; Kawazoe, Yoshiyuki; Adschiri, Tadafumi

    2009-01-01

    The stability of atomic intercalated carbon $K_{4}$ crystals, XC$_{2}$ (X=H, Li, Be, B, C, N, O, F, Na, Mg, Al, Si, P, S, Cl, K, Ca, Ga, Ge, As, Se, Br, Rb or Sr) is evaluated by geometry optimization and frozen phonon analysis based on first principles calculations. Although C $K_{4}$ is unstable, NaC$_{2}$ and MgC$_{2}$ are found to be stable. It is shown that NaC$_{2}$ and MgC$_{2}$ are metallic and semi conducting, respectively.

  1. Electronic properties of hybrid metal-discotic liquid crystal nanostructures

    Science.gov (United States)

    Kelsall, R. W.; Pecchia, A.; Bourlange, A.; Movaghar, B.; Evans, S. D.; Hickey, B. J.; Boden, N.

    2003-04-01

    A new class of hybrid organic/inorganic nanostructures, comprising self-organised discotic liquid crystal layers deposited on ultrathin metal films, has been investigated both experimentally and theoretically. Calculations show that the periodic self-organised molecular layer gives rise to a new, hybrid electronic bandstructure, resulting in modulation of the metal film conductivity. In situ conductivity measurements during deposition of such self-organised layers confirm that the metal film conductivity is altered. Theoretical modeling also shows that the AC conductivity should show structure related to the carrier trapping and one-dimensional transport features of the self-organised layer.

  2. Study on Growth and Spectra Properties of Nd: GGG Crystal

    Institute of Scientific and Technical Information of China (English)

    Zeng Fanming; Sun Jing; Zhang Ying; Liu Jinghe

    2007-01-01

    The laser crystal Nd: GGG was grown by Cz method. The optimum processing parameter is that the pulling rate is 2~4mm·h-1, the rotation rate is 20~40 r·min-1 and the cooling rate is 20℃. The absorption and fluorescence spectra of Nd: GGG were measured. The main absorption peak of Nd: GGG is at 808 nm and the fluorescence emission peak is at 9430cm-1, corresponding to 4F3/2-4I11/2 emission band of Nd3+ ions.

  3. Growth, spectral, structural and mechanical properties of struvite crystal grown in presence of sodium fluoride

    Indian Academy of Sciences (India)

    K Suguna; M Thenmozhi; C Sekar

    2012-08-01

    Struvite or magnesium ammonium phosphate hexahydrate (MAP) is one of the components of urinary stone. Struvite stones are commonly found in women. It forms in human beings as a result of urinary tract infection with urea splitting organisms. These stones can grow rapidly forming “staghorn-calculi”, which is a painful urological disorder. Therefore, it is of prime importance to study the growth and inhibition of struvite crystals. The growth inhibition effect of struvite crystals in sodium metasilicate (SMS) gel in the presence of sodium fluoride has been carried out. Crystals obtained have been analysed by powder and single crystal XRD, SEM–EDX, FTIR and TG–DTA. The results show that the presence of fluoride significantly affects struvite crystal growth and the characteristics of the crystallites produced. The mechanical property of the grown crystals has been investigated by Vickers microhardness testing. Work hardening coefficient was found to be >1.6 for both pure and doped samples which suggests that the crystal belongs to the family of soft material. Presence of sodium fluoride further softened the crystal.

  4. Optical and magneto-optical properties of the endohedral La@C82 crystal

    Science.gov (United States)

    Rostampour, E.; Koohi, A.; Cyrousnezhad, F.

    2013-02-01

    The magneto-optical properties of solids are theoretically described by the circular dichroism (CD) and birefringence coefficient (θ). Using the Su-Schrieffer-Heeger (SSH) model in conjunction with the local field method, the optical dielectric tensor, CD and θ of the simple cubic phase of the La@C82 and C82 crystals are calculated. The results obtained from the La@C82 and C82 crystals are compared with those of the C70 and C60 crystals. It is shown that La@C82 has a richer optical spectrum than C82, C70 and C60. In the La@C82 crystal, absorption bands are shown by spectrum in the 0.58 to 7.0 eV region with sharp structures in each band which indicate the localized molecular structure coupled with long-range crystalline order. Results show that the circular dichroism and birefringence coefficient of the La@C82 crystal due to a single spin localized on the C82 cage are very larger than those of the C60, C70 and C82 crystals. Also, results show that the circular dichroism and birefringence coefficient of the C82 crystal are similar to those of the C60 and C70 crystals.

  5. Solid state synthesis, crystal growth and optical properties of urea and p-chloronitrobenzene solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Rai, R.N., E-mail: rn_rai@yahoo.co.in [Department of Chemistry, Centre of Advanced Study, Banaras Hindu University, Varanasi 221005 (India); Kant, Shiva; Reddi, R.S.B. [Department of Chemistry, Centre of Advanced Study, Banaras Hindu University, Varanasi 221005 (India); Ganesamoorthy, S. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu (India); Gupta, P.K. [Laser Materials Development & Devices Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

    2016-01-15

    Urea is an attractive material for frequency conversion of high power lasers to UV (for wavelength down to 190 nm), but its usage is hindered due to its hygroscopic nature, though there is no alternative organic NLO crystal which could be transparent up to 190 nm. The hygroscopic character of urea has been modified by making the solid solution (UCNB) of urea (U) and p-chloronitrobenzene (CNB). The formation of the solid solution of CNB in U is explained on the basis of phase diagram, powder XRD, FTIR, elemental analysis and single crystal XRD studies. The solubility of U, CNB and UCNB in ethanol solution is evaluated at different temperatures. Transparent single crystals of UCNB are grown from its saturated solution in ethanol. Optical properties e.g., second harmonic generation (SHG), refractive index and the band gap for UCNB crystal were measured and their values were compared with the parent compounds. Besides modification in hygroscopic nature, UCNB has also shown the higher SHG signal and mechanical hardness in comparison to urea crystal. - Highlights: • The hygroscopic character of urea was modified by making the solid solution • Solid solution formation is support by elemental, powder- and single crystal XRD • Crystal of solid solution has higher SHG signal and mechanical stability. • Refractive index and band gap of solid solution crystal have determined.

  6. 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.

  7. Influence of crystal structure on the compaction properties of n-alkyl 4-hydroxybenzoate esters (parabens).

    Science.gov (United States)

    Feng, Yushi; Grant, David J W

    2006-07-01

    The aim of the study is to examine the influence of slip planes on the nanoindentation hardness and compaction properties of methyl, ethyl, n-propyl, and n-butyl 4-hydroxybenzoate (parabens). Molecular modeling calculations, embodying the attachment energy concept, were performed to predict the slip planes in the crystal lattices, whereas the nanoindentation hardness of the crystals and the tensile strength of directly compressed compacts were measured. Unlike the other three parabens, methyl paraben has no slip planes in its crystal lattice, and its crystals showed greater nanoindentation hardness, corresponding to lower plasticity, whereas its tablets exhibited substantially lower tensile strength than those of ethyl, propyl, or butyl paraben. The nanoindentation hardness of the crystals and the tensile strength of directly compressed tablets were each found to correlate directly with the absence or presence of slip planes in the crystal structures of the parabens because slip planes confer greater plasticity. This work presents a molecular insight into the influence of crystal structural features on the tableting performance of molecular crystals in general and of crystalline pharmaceuticals in particular.

  8. Growth and spectroscopic properties of Ca9Nd(VO4)7 single crystal

    Science.gov (United States)

    Demesh, M. P.; Yasukevich, A. S.; Kuleshov, N. V.; Kosmyna, M. B.; Mateychenko, P. V.; Nazarenko, B. P.; Shekhovtsov, A. N.; Kornienko, A. A.; Dunina, E. B.; Orlovich, V. A.; Khodasevich, I. A.; Paszkowicz, W.; Behrooz, A.

    2016-10-01

    Ca9Nd(VO4)7 single crystal was grown by the Czochralski method in inert atmosphere. The crystal structure and chemical composition were studied. Polarized absorption and luminescence spectra were investigated in details. It was found that the Ca9Nd(VO4)7 crystals belongs to self-activated laser materials with a weak concentration quenching of luminescence. Judd-Ofelt analysis was performed. The emission cross-sections spectra for 4F3/2 → 4I9/2, 4I11/2, 4I13/2 transitions were determined. For the first time Raman spectra of the Ca9Nd(VO4)7 single crystal were recorded and interpreted.

  9. Chemical and physical properties of opencast lignite minesoils

    Energy Technology Data Exchange (ETDEWEB)

    Varela, C.; Vazquez, C.; Gonzalez-Sangregorio, M.V.; Leiros, M.C.; Gil-Sotres, F. (Facultad de Farmacia de Santiago de Compostela, Santiago de Compostela (Spain). Dept. de Edafologia y Quimica Agricola)

    1993-09-01

    The evolution of chemical and physical properties in a series of mine soils aged between 0 and 5 years, developed from spoil materials of the Meirama opencast lignite mine in Galicia (NW Spain), was studied. The soils are recovered without use of topsoil and are subject to identical management. In the surface horizon (0-7 cm), total C and N, CEC, and pyrophosphate-extracted Al[sub 2]O[sub 3] and Fe[sub 2]O[sub 3] increased with soil age. Oxalic-oxalate-extracted Al[sub 2]O[sub 3] and Fe[sub 2]O[sub 3] on the other hand, increased with soil age in all the horizons studied. Rapid recovery in terms of physical properties was also observed: bulk density dropped, while total porosity, percentage of macropores, and hydraulic conductivity increased, and aggregates showed greater stability on immersion in water. The results indicate that mineral weathering and organometallic complexation are the dominant processes at these early stages of edaphogenesis and that properties associated with gas exchange showed more rapid development than those associated with water movement. In spite of the above rapid modifications, the characteristics of the oldest soils in the series were still very different from those of native Galician soils.

  10. Physical and chemical properties of two Iranian peat types

    Directory of Open Access Journals (Sweden)

    M.A. Rahgozar

    2015-09-01

    Full Text Available Because peat has high organic content and high natural water content, it is potentially problematic for civil engineering projects involving construction on peatland. Therefore, it is important to understand the physical, chemical and geotechnical properties of the peat. The aim of the study reported here was to investigate the properties of two Iranian peat types. Peat and water samples were collected from sites within two extensive wetland areas (Chaghakhor Wetland and Gavkhuni Swamp where construction works are planned. Both sites had peat layers more than three metres thick, which were sampled at depths of 0.6, 1.2, 1.8, 2.4 and 3.0 metres below ground level with four replicates per site. Degree of humification was determined in the field. Laboratory tests were conducted to determine the pH of water and peat; and the natural (field moisture content, organic content, ash content, bulk density, dry density, density of solids, liquid limit, initial void ratio, linear shrinkage, unconfined compressive strength, shear strength and falling-head permeability of each peat sample. We also investigated the elemental compositions and microstructure of the peats using X-Ray fluorescence and scanning electron microscopy. The laboratory tests of physical and geotechnical properties indicated that, for construction purposes, Chaghakhor peat is weaker than Gavkhuni peat.

  11. Comprehensive investigation of the properties of lanthanum-magnesium hexaluminate single crystals activated by neodymium ions

    Energy Technology Data Exchange (ETDEWEB)

    Agladze, N.I.; Antonov, V.A.; Arsen' ev, P.A.; Bagdasarov, K.S.; Zolin, V.F.

    1986-05-01

    The authors present the results of investigations of the physiochemical and spectroscopic characteristics of LMHA-Nd crystals, as considered on the basis of their spectral-lasing properties. LMHA-Eu is of interest as a luminophore. The authors monitored the completeness of the chemical reaction on a DRON-1 diffractometer. An x-ray analysis was carried out by the method of comparing with the data in the ASTM file of diffraction pictures, obtained in a focusing Guinier-De-Wolf monochromator-camera and a Weisenberg camera. Absorption and luminescence spectra were recorded with SDL-1 and DFS-12 spectrometers and with SF-8 and SPECORD UV-VIS spectrophotometers and in the infrared with a high-resolution Fourier spectrometer. Analysis of the polarized spectra of LMHA-Nd shows that the symmetry of the impurity centers in LMHA is lower than tetragonal and triagonal. The same conclusion follows from an analysis of the luminescence spectra of LMHA-Eu with selective excitation.

  12. Optical properties of one-dimensional photonic crystals containing graphene-based hyperbolic metamaterials

    Science.gov (United States)

    Madani, Amir; Entezar, Samad Roshan

    2017-07-01

    The transmission properties of a one-dimensional photonic crystal made of alternate layers of an isotropic ordinary dielectric and a graphene-based hyperbolic metamaterial are studied theoretically using the transfer matrix method. The metamaterial layers show hyperbolic dispersion in certain frequency range and are considered as an anisotropic effective medium in which the optical axis is normal to the graphene layers. It is shown that the structure has some photonic band gaps in both the hyperbolic and elliptical frequency regions of the hyperbolic metamaterial layers, which are tunable by changing the chemical potential of the graphene monolayers. Moreover, the characteristics of the transverse-magnetic (TM)-polarized photonic band gaps remarkably depend on the orientation of the optical axis of the hyperbolic metamaterial layers. It is found that the electric field intensity of the propagating modes from the hyperbolic metamaterial frequency region is concentrated in the high-index isotropic layers and the electric field intensity of the propagating modes from the elliptical frequency region is concentrated in the low-index anisotropic layers.

  13. Preparation, properties and application of sapphire single-crystal fibers grown by the EFG method

    Directory of Open Access Journals (Sweden)

    Kubát J.

    2013-05-01

    Full Text Available Sapphire – the single crystal of aluminum oxide (Al2O3 – is one of the most important artificially produced materials. The sapphire fibres studied were grown in Crytur using the “edge-defined film-fed growth” (EFG technique. Their unique physical and chemical properties can be employed in various applications. Due to their high refractive index and a broad transmission band spanning the ultraviolet, visible and infrared bands, sapphire fibres are perfect waveguides in harsh environments. The current major applications are Er:YAG laser beam delivery and pyrometric and spectrometric measurements in furnaces, combustion engines, etc. In this paper we summarize an adjustment of the EFG method to grow thin filaments by giving possible molybdenum die designs. We investigated the fibres using an optical microscope and measured their transmission of an Er:YAG laser beam (2.94 μm. The attenuation of the tested samples is approximately 0.1 dB/cm.

  14. Time Dependent DD Neutrons Measurement Using a Single Crystal Chemical Vapor Deposition Diamond Detector on EAST

    Science.gov (United States)

    Du, Tengfei; Peng, Xingyu; Chen, Zhongjing; Hu, Zhimeng; Ge, Lijian; Hu, Liqun; Zhong, Guoqiang; Pu, Neng; Chen, Jinxiang; Fan, Tieshuan

    2016-09-01

    A single crystal chemical vapor deposition (scCVD) diamond detector has been successfully employed for neutron measurements in the EAST (Experimental Advanced Superconducting Tokamak) plasmas. The scCVD diamond detector coated with a 5 μm 6LiF (95% 6Li enriched) layer was placed inside a polyethylene moderator to enhance the detection efficiency. The time-dependent neutron emission from deuteron plasmas during neutral beam injection (NBI) heating was obtained. The measured results are compared with that of fission chamber detectors, which always act as standard neutron flux monitors. The scCVD diamond detector exhibits good reliability, stability and the capability to withstand harsh radiation environments despite its low detection efficiency due to the small active volume. supported by the National Magnetic Confinement Fusion Science Program of China (Nos. 2013GB106004 and 2012GB101003) and National Natural Science Foundation of China (No. 91226102)

  15. A Study of the Optical Properties of Ice Crystals with Black Carbon Inclusions

    Energy Technology Data Exchange (ETDEWEB)

    Arienti, Marco [Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Yang, Xiaoyuan [Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Kopacz, Adrian M [Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Geier, Manfred [Sandia National Laboratories (SNL-CA), Livermore, CA (United States)

    2015-09-01

    The report focu ses on the modification of the optical properties of ice crystals due to atmospheric black car bon (BC) contamination : the objective is to advance the predictive capabilities of climate models through an improved understanding of the radiative properties of compound particles . The shape of the ice crystal (as commonly found in cirrus clouds and cont rails) , the volume fraction of the BC inclusion , and its location inside the crystal are the three factors examined in this study. In the multiscale description of this problem, where a small absorbing inclusion modifies the optical properties of a much la rger non - absorbing particle, state - of - the - art discretization techniques are combined to provide the best compromise of flexibility and accuracy over a broad range of sizes .

  16. Chemical and Biological Sensing using Diatom Photonic Crystal Biosilica with In-Situ Growth Plasmonic Nanoparticles.

    Science.gov (United States)

    Kong, Xianming; Squire, Kenny; Li, Erwen; LeDuff, Paul; Rorrer, Gregory; Tang, Suning; Chen, Bin; McKay, Christopher; Navarro-Gonzalez, Rafael; Wang, Alan

    2016-12-07

    In this paper, we described a new type of bioenabled nano-plasmonic sensors based on diatom photonic crystal biosilica with in-situ growth silver nanoparticles and demonstrated label-free chemical and biological sensing based on surface-enhanced Raman scattering (SERs) from complex samples. Diatoms are photosynthetic marine micro-organisms that create their own skeletal shells of hydrated amorphous silica, called frustules, which possess photonic crystal-like hierarchical micro- & nano-scale periodic pores. Our research shows that such hybrid plasmonic-biosilica nanostructures formed by cost-effective and eco-friendly bottom-up processes can achieve ultra-high limit of detection for medical applications, food sensing, water/air quality monitoring and geological/space research. The enhanced sensitivity comes from the optical coupling of the guided-mode resonance of the diatom frustules and the localized surface plasmons of the silver nanoparticles. Additionally, the nanoporous, ultra-hydrophilic diatom biosilica with large surface-to-volume ratio can concentrate more analyte molecules to the surface of the SERS substrates, which can help to detect biomolecules that cannot be easily adsorbed by metallic nanoparticles.

  17. Chemical precursor impact on the properties of Cu{sub 2}ZnSnS{sub 4} absorber layer

    Energy Technology Data Exchange (ETDEWEB)

    Vashistha, Indu B., E-mail: indu-139@yahoo.com; Sharma, S. K. [Department of Physics, Malaviya National Institute of Technology, Jaipur 302017 (India); Sharma, Mahesh C. [National Institute of Solar Energy, Gurgaon 122003 (India)

    2016-04-13

    In present work impact of different chemical precursor on the deposition of solar absorber layer Cu{sub 2}ZnSnS{sub 4} (CZTS) were studied by Chemical Bath Deposition (CBD) method without using expensive vacuum facilities and followed by annealing. As compared to the other deposition methods, CBD method is interesting one because it is simple, reproducible, non-hazardous, cost effective and well suited for producing large-area thin films at low temperatures, although effect of precursors and concentration plays a vital role in the deposition. So, the central theme of this work is optimizing and controlling of chemical reactions for different chemical precursors. Further Effect of different chemical precursors i.e. sulphate and chloride is analyzed by structural, morphological, optical and electrical properties. The X-ray diffraction (XRD) of annealed CZTS thin film revealed that films were polycrystalline in nature with kestarite tetragonal crystal structure. The Atomic Force micrographs (AFM) images indicated total coverage compact film and as well as growth of crystals. The band gap of annealed CZTS films was found in the range of optimal band gap by absorption spectroscopy.

  18. Crystal growth of Bi{sub 2}Te{sub 3} and noble cleaved (0001) surface properties

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.ru [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Functional Electronics Laboratory, Tomsk State University, Tomsk 634050 (Russian Federation); Golyashov, V.A. [Laboratory of Molecular Beam Epitaxy of III-V Semiconductors, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Kokh, K.A. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 630090 (Russian Federation); Laboratory of Nanostructured Surfaces, Tomsk State University, Tomsk 634050 (Russian Federation); Spintronics Laboratory, Saint Petersburg State University, Saint Petersburg 198504 (Russian Federation); Korolkov, I.V. [Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Laboratory of Crystal Chemistry, Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk 630090 (Russian Federation); Kozhukhov, A.S. [Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Laboratory of Nanodiagnostics and Nanolithography, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Kruchinin, V.N. [Laboratory for Ellipsometry of Semiconductor Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Loshkarev, I.D. [Laboratory of Molecular Beam Epitaxy of Elementary Semiconductors and A3B5 Compounds, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Pokrovsky, L.D. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Prosvirin, I.P. [Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Boreskov Institute of Catalysis, SB RAS, Novosibirsk 630090 (Russian Federation); and others

    2016-04-15

    A high quality Bi{sub 2}Te{sub 3} crystal has been grown by Bridgman method with the use of rotating heat field. The phase purity and bulk structural quality of the crystal have been verified by XRD analysis and rocking curve observation. The atomically smooth Bi{sub 2}Te{sub 3}(0001) surface with an excellent crystallographic quality is formed by cleavage in the air. The chemical and microstructural properties of the surface have been evaluated with RHEED, AFM, STM, SE and XPS. The Bi{sub 2}Te{sub 3}(0001) cleaved surface is formed by atomically smooth terraces with the height of the elemental step of ~1.04±0.1 nm, as estimated by AFM. There is no surface oxidation process detected over a month keeping in the air at normal conditions, as shown by comparative core level photoelectron spectroscopy. - Graphical abstract: A high quality Bi{sub 2}Te{sub 3} crystal has been grown by Bridgman method with the use of rotating heat field and the Bi{sub 2}Te{sub 3}(0001) cleaved surface has been evaluated with RHEED, AFM, STM, SE and XPS. - Highlights: • High-quality Bi{sub 2}Te{sub 3} crystal of 10 mm in diameter and 50 mm long have been grown. • The high-purity cleaved Bi{sub 2}Te{sub 3}(0001) surface has been evaluated by RHEED, AFM, STM and XPS methods. • The Bi{sub 2}Te{sub 3} surface covered by atomically smooth (0001) terraces is chemically stable for a long time.

  19. Effects of the implantation of Sn ions on W matrix's chemical state, crystal structure and hardness

    Science.gov (United States)

    Mu, Z. X.; Sun, J. Z.; Wang, H.; Wang, Y. M.

    2017-09-01

    Prior to the practical application of liquid metals as facing material for fusion reactor, the nature of the interaction layer between liquid metal and tungsten substrate should be studied deeply. In the present work, by means of ion implantation technique using a metal vapor vacuum arc source (MEVVA), Sn ions were injected into a W matrix and a W-Sn modified layer was prepared. The chemical state, crystal structure and nano-indentation hardness of the modified layer were investigated and characterized with the use of X-ray photoelectron spectroscopy (XPS), an X-ray diffractometer (XRD) and a nano-indentor. The results indicate that, after the injection of Sn ions into the W matrix, Sn atoms interacted intensively with W, leading to the generation of a large number of point defects (such as vacancies and self-interstitial atoms) and the decrease of average grain size from 16.7 to 11.9 nm. Additionally, chemical shifts appeared, i.e., the binding energy values of W 4f7/2, W 4f5/2, W 5p3/2 and W 4p1/2 in the modified layer was reduced by 0.3 eV, 0.3 eV, 0.4 eV, 1-1.4 eV, respectively. The binding energy values of Sn 3d5/2 and Sn 3d3/2 decreased, with a chemical shift of 0.6-0.7 eV and 0.1-0.3 eV, respectively. The nano-indentation hardness of the modified layer was enhanced; specifically, when the indentation depth was 26.3 nm, the hardness reached a peak value of 13.8 GPa. In the modified layer, the surface chemical states are quite complex, mainly including SnO, WO3, SnO2 and WC.

  20. Bubble Nucleation, Coalescence and Outgassing Induced by Crystallization: Insights into Their Contribution to Seismic Properties of Magmas.

    Science.gov (United States)

    Tripoli, B. A.

    2015-12-01

    Seismic tomography of potentially hazardous volcanoes is a prime tool to assess the location and dimensions of magmatic reservoirs. Magma rheology and volcanic eruptive style are to a first order controlled by processes occurring within the conduit or in the magma chamber, such as crystallization and bubble exsolution. Seismic velocities are strongly affected by these processes, but the limited number of constrained measurements does not allow yet establishing a firm link between seismic tomography and the textural and hence rheologic state of volcanic systems. Elastic parameters of vapor-saturated, partially molten systems are thus providing fundamental information for the identification of such reservoirs under volcanoes. We investigated a chemically simplified melt analogous to trachyte, which undergoes plagioclase crystallization and bubble exsolution. A Paterson-type apparatus was employed to measure the seismic velocities at a constant pressure of 250 MPa and at a frequency of 0.1 MHz. The temperature was decreased at a rate of 0.5 or 0.1 °C/min from 850 to 700 °C and velocities were recorded every 45 minutes. In order to characterize the microstructure evolution, we conducted series of cold-seal experiments at identical pressure conditions but with rapid-quenching at each of the recorded temperatures. Magmatic processes such as crystallization, bubble nucleation and coalescence have been recognized throughout the measurements of seismic velocities in the laboratory. Compression and shear wave velocities increase non-linearly during crystallization. At crystal fraction exceeding 45 vol%, the formation of a crystal network favors the propagation of seismic waves through magmatic liquids. However, bubble nucleation induced by crystallization leads to an increase of magma compressibility resulting in a lowering of the wave propagation velocities. These two processes occurring simultaneously have thus competing effects on the seismic properties of magmas. In

  1. Ab initio quantum mechanical investigation of structural and chemical-physical properties of selected minerals for minero-petrological, structural ceramic and biomaterial applications

    OpenAIRE

    Ulian, Gianfranco

    2014-01-01

    The purpose of this thesis is the atomic-scale simulation of the crystal-chemical and physical (phonon, energetic) properties of some strategically important minerals for structural ceramics, biomedical and petrological applications. These properties affect the thermodynamic stability and rule the mineral-environment interface phenomena, with important economical, (bio)technological, petrological and environmental implications. The minerals of interest belong to the family of phyllosilicates ...

  2. CONCRETE PROPERTIES IMPROVEMENT OF SLAB TRACKS USING CHEMICAL ADDITIVES

    Directory of Open Access Journals (Sweden)

    V. V. Pristinskaya

    2015-11-01

    Full Text Available Purpose. On the Railways of Ukraine a very large number of slab tracks are operated with cracks. Many scientific works of previous years are dedicated to improving the design of slab tracks. The main causes of defects are: poor exploitation of the track; insufficient physic-mechanical characteristics of concrete; poor quality of initial materials. It is therefore necessary to develop an optimum concrete mix for the manufacture of these concrete products. Methodology. To assess the impact of individual factors and effects of their interactions on properties of concrete mix and concrete method of experimental and statistical modeling was used. At this, methodological fundamentals of mathematical experiment planning in concrete technology and modern methods of optimization of composite materials were taking into account. Based on the obtained data during the planned experiment conducting, including15 studies and using the computer program MathCad, were obtained the regression equations, which describe the relevant physical and mechanical properties of concrete. On the basis of the equations with the help of computer program MATLAB R2012b the graphs were drawn, illustrating the dependences of system response from the changes of two factors at a fixed value of the third factor. Findings. Firstly was the analysis of cracks that occur in the process of operation in the constructions of slab tracks. Further reasons of possible occurrence of these cracks were presented. In the process of the conducted research the author has concluded that for rational concrete mix development it is necessary to conduct the planned experiment with the use of quality materials. It was established that to increase the strength, chemical additives should be added in to concrete mix, it will let reduce cement amount. Originality. Experiments proved the usage of modern chemical additives in order to improve the properties of concrete. Models were developed, reflecting

  3. Single crystal growth and physical properties of UT2Al20 (T=Transition Metal)

    OpenAIRE

    Matsumoto, Y.; Matsuda, TD; Tateiwa, N.; Yamamoto, E; Haga, Y; Fisk, Z.

    2013-01-01

    We have studied the single crystal growth and the physical properties of the UT2Al20 system. We have successfully grown UT2Al20 (T = Cr, Ti, W and Mo) using Al self flux and have characterized the crystals using electron probe microanalyzer (EPAM) and X-ray diffractometer. We have also measured their magnetic and electric properties. The ground states of UT2Al20 (T = Cr, Mo and W) are Pauli paramagnetic as is likely also in UTi2Al20. The effective masses of UCr2Al20 and UTi2Al20 are only weak...

  4. Influence of crystal structure on the optically stimulated luminescence properties of feldspars

    DEFF Research Database (Denmark)

    Poolton, N.R.J.; Bøtter-Jensen, L.; Ypma, P.J.M.

    1994-01-01

    Work is presented showing that the crystal structure of feldspar plays an important role in determining the energy positions at which optically stimulated luminescence transitions can occur, their thermo-optical behavior, the transport properties of charge in the conduction and valence bands, and......, and the time decay characteristics of the luminescence. First-order calculations of these effects are presented, and comparison is made with experimental results.......Work is presented showing that the crystal structure of feldspar plays an important role in determining the energy positions at which optically stimulated luminescence transitions can occur, their thermo-optical behavior, the transport properties of charge in the conduction and valence bands...

  5. Diffraction properties of four-petal Gaussian beams in uniaxially anisotropic crystal

    Institute of Scientific and Technical Information of China (English)

    Bin Tang; Yi Jin; Meiping Jiang; Xingfang Jiang

    2008-01-01

    @@ Propagation properties of polarized four-petal Gaussian beams along the optical axis of uniaxially anisotropic crystals were investigated. Based on the paraxially vectorial theory of beam propagation, analytic expressions of the diffraction light field were obtained. The effects of the anisotropy on the polarization properties of the diffracted four-petal Gaussian beams have also been explained by numerical method. The results elucidate that the linear polarization state and the symmetry of the incident beams cannot be kept during propagation in anisotropic crystals.

  6. Crystallization and thermophysical properties of Cu46Zr47Al6Co1 bulk metallic glass

    Directory of Open Access Journals (Sweden)

    Kang Wu

    2013-11-01

    Full Text Available Phase evolution of two-step crystallization and the subsequent B2-phase transformation was presented in Cu46Zr47Al6Co1 bulk metallic glass (BMG during heating process. Thermophysical properties, i.e. the thermal diffusivity and the specific heat capacity, of the BMG in amorphous solid state and supercooled liquid state as well as its crystalline counterparts were measured from room temperature to 1070 K. The thermal conductivity was also calculated through combination of the data of the thermal diffusivity and the specific heat capacity. The possible influence of the crystallization on the thermophysical properties was discussed.

  7. Field emission properties of chemical vapor deposited individual graphene

    Energy Technology Data Exchange (ETDEWEB)

    Zamri Yusop, Mohd [Department of Frontier Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, 466-8555 Nagoya (Japan); Department of Materials, Faculty of Mechanical Engineering, Universiti Teknologi Malaysia, 81310 UTM Skudai, Johor (Malaysia); Kalita, Golap, E-mail: kalita.golap@nitech.ac.jp [Department of Frontier Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, 466-8555 Nagoya (Japan); Center for Fostering Young and Innovative Researchers, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, 466-8555 Nagoya (Japan); Yaakob, Yazid; Takahashi, Chisato; Tanemura, Masaki [Department of Frontier Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, 466-8555 Nagoya (Japan)

    2014-03-03

    Here, we report field emission (FE) properties of a chemical vapor deposited individual graphene investigated by in-situ transmission electron microscopy. Free-standing bilayer graphene is mounted on a cathode microprobe and FE processes are investigated varying the vacuum gap of cathode and anode. The threshold field for 10 nA current were found to be 515, 610, and 870 V/μm for vacuum gap of 400, 300, and 200 nm, respectively. It is observed that the structural stability of a high quality bilayer graphene is considerably stable during emission process. By contacting the nanoprobe with graphene and applying a bias voltage, structural deformation and buckling are observed with significant rise in temperature owing to Joule heating effect. The finding can be significant for practical application of graphene related materials in emitter based devices as well as understanding the contact resistance influence and heating effect.

  8. Influence of Biomass Chemical Properties on Torrefaction Characteristics

    DEFF Research Database (Denmark)

    Saleh, Suriyati Binti; Hansen, Brian Brun; Jensen, Peter Arendt

    2013-01-01

    Different biomass types may differ with respect to torrefaction characteristics, and an improved understanding and ability to predict the torrefaction performance is, therefore, desired. In this study, the influence of the chemical properties (lignocellulose composition and alkali content......) on the torrefaction behavior with respect to mass loss and grindability is investigated by simultaneous thermal analysis (STA) and by using a combined torrefaction and grinding reactor. The torrefaction behavior of six raw biomass samples and selected pretreated samples (washed and impregnated with KCl and K2CO3) has...... of the torrefied products was evaluated by determining the d50 value of the particle size distribution of the biomass before and after torrefaction in the combined torrefaction and mill reactor. A significant decrease in d50 value was observed when the alkali content increased from 0 to 0.2 wt % db, whereas...

  9. Single-Crystal Elastic Properties of the Spinel (MgAl2O4) - Galaxite (MnAl2O4) Solid Solution Series

    Science.gov (United States)

    Speziale, S.; Bruschini, E.; Andreozzi, G. B.; Bosi, F.; Hålenius, U.

    2014-12-01

    Spinels are a subject of intense research in solid state physics, materials science and geosciences. Their general formula is T(A1-i)M(AiB2-i)X4 (A and B are cations, X are anions, T and M indicate tetrahedrally- and octahedrally-coordinated sites and i is the inversion degree). They are ideal materials to study the interplay between chemical substitutions, structure and the physical properties of solids. As spinel-structured ringwoodite (Mg,Fe)2SiO4 is the most abundant mineral in the lower transition zone, understanding the effect of chemical substitution on the elastic properties of spinels is of crucial for geophysics. We have experimentally studied the variation of the elastic properties along the join MgAl2O4 - MnAl2O4. Crystals of 4 compositions along the join were synthesized at the very same experimental conditions and their crystal chemistry was fully characterized. Single-crystal elastic constants Cij of all the samples were measured by Brillouin spectroscopy at ambient conditions. For compositions with Mn/Mg Bosi, F., et al. (2011) Am. Mineral., 96, 594; [3] Shannon, R.D. (1976) Acta Crystall., A32, 751.

  10. Chemical and physical properties of dry flue gas desulfurization products.

    Science.gov (United States)

    Kost, David A; Bigham, Jerry M; Stehouwer, Richard C; Beeghly, Joel H; Fowler, Randy; Traina, Samuel J; Wolfe, William E; Dick, Warren A

    2005-01-01

    Beneficial and environmentally safe recycling of flue gas desulfurization (FGD) products requires detailed knowledge of their chemical and physical properties. We analyzed 59 dry FGD samples collected from 13 locations representing four major FGD scrubbing technologies. The chemistry of all samples was dominated by Ca, S, Al, Fe, and Si and strong preferential partitioning into the acid insoluble residue (i.e., coal ash residue) was observed for Al, Ba, Be, Cr, Fe, Li, K, Pb, Si, and V. Sulfur, Ca, and Mg occurred primarily in water- or acid-soluble forms associated with the sorbents or scrubber reaction products. Deionized water leachates (American Society for Testing and Materials [ASTM] method) and dilute acetic acid leachates (toxicity characteristic leaching procedure [TCLP] method) had mean pH values of >11.2 and high mean concentrations of S primarily as SO(2-)4 and Ca. Concentrations of Ag, As, Ba, Cd, Cr, Hg, Pb, and Se (except for ASTM Se in two samples) were below drinking water standards in both ASTM and TCLP leachates. Total toxicity equivalents (TEQ) of dioxins, for two FGD products used for mine reclamation, were 0.48 and 0.53 ng kg(-1). This was similar to the background level of the mine spoil (0.57 ng kg(-1)). The FGD materials were mostly uniform in particle size. Specific surface area (m2 g(-1)) was related to particle size and varied from 1.3 for bed ash to 9.5 for spray dryer material. Many of the chemical and physical properties of these FGD samples were associated with the quality of the coal rather than the combustion and SO2 scrubbing processes used.

  11. Optical and scintillation properties of bulk ZnO crystal

    Energy Technology Data Exchange (ETDEWEB)

    Yanagida, Takayuki [Kyushu Institute of Technology, 2-4 Hibikino, Wakamatsu, Kitakyushu 808-0196 (Japan); Fujimoto, Yutaka; Kurosawa, Shunsuke [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Yamanoi, Kohei; Sarukura, Nobuhiko [Institute of Laser Engineering, Osaka University, Suita, Osaka 565-0871 (Japan); Kano, Masataka; Wakamiya, Akira [Daishinku Corporation, 1389 Shinzaike, Hiraoka-cho, Kakogawa, Hyogo 675-0194 (Japan)

    2012-12-15

    Single crystal bulk ZnO scintillator grown by the hydrothermal method was tested on its scintillation performances. In X-ray induced radio luminescence spectrum, it exhibited two intense emission peaks at 400 and 550 nm. The former was ascribed to the free and bound exciton related luminescence and the latter to oxygen vacancy related one, respectively. X-ray induced scintillation decay time of the exciton related emission measured by the pulse X-ray streak camera system resulted {proportional_to} 4 ns. Finally, the light yield under {sup 241}Am 5.5 MeV {alpha}-ray was examined and it resulted {proportional_to} 500 ph/5.5 MeV-{alpha}.(copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. Low temperature properties of pnictide CrAs single crystal

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    High quality single crystal CrAs was grown by Sn flux method.The results of magnetic susceptibility and electrical resistivity are reported in a temperature range of 2 to 800 K.At low temperatures,a T2 dependence of resistivity is observed showing a Fermi-liquid behavior.The Kadowaki-Woods ratio is found to be 1×10-5 μΩ cm mol2 K2 mJ-2,which fits well to the universal value for many correlated electron systems.At about 270 K,a clear magnetic transition is observed with sharp changes of resistivity and susceptibility.Above 270 K,a linear-temperature dependence of the magnetic susceptibility is observed up to 700 K,which resembles the T-dependent magnetic susceptibility of parents of iron-pnictides superconductors.

  13. Chemical and Thermodynamic Properties at High Temperatures: A Symposium

    Science.gov (United States)

    Walker, Raymond F.

    1961-01-01

    This book contains the program and all available abstracts of the 90' invited and contributed papers to be presented at the TUPAC Symposium on Chemical and Thermodynamic Properties at High Temperatures. The Symposium will be held in conjunction with the XVIIIth IUPAC Congress, Montreal, August 6 - 12, 1961. It has been organized, by the Subcommissions on Condensed States and on Gaseous States of the Commission on High Temperatures and Refractories and by the Subcommission on Experimental Thermodynamics of the Commission on Chemical Thermodynamics, acting in conjunction with the Organizing Committee of the IUPAC Congress. All inquiries concerning participation In the Symposium should be directed to: Secretary, XVIIIth International Congress of Pure and Applied Chemistry, National Research Council, Ottawa, 'Canada. Owing to the limited time and facilities available for the preparation and printing of the book, it has not been possible to refer the proofs of the abstracts to the authors for checking. Furthermore, it has not been possible to subject the manuscripts to a very thorough editorial examination. Some obvious errors in the manuscripts have been corrected; other errors undoubtedly have been introduced. Figures have been redrawn only when such a step was essential for reproduction purposes. Sincere apologies are offered to authors and readers for any errors which remain; however, in the circumstances neither the IUPAC Commissions who organized the Symposium, nor the U. S. Government Agencies who assisted in the preparation of this book can accept responsibility for the errors.

  14. A posteriori design of crystal contacts to improve the X-ray diffraction properties of a small RNA enzyme

    Energy Technology Data Exchange (ETDEWEB)

    MacElrevey, Celeste [Department of Biochemistry and Biophysics, University of Rochester School of Medicine and Dentistry, Rochester, New York 14642 (United States); Spitale, Robert C. [Department of Chemistry, Biological Chemistry Cluster, River Campus Box 270216, University of Rochester, Rochester, New York 14627-0216 (United States); Krucinska, Jolanta [Department of Biochemistry and Biophysics, University of Rochester School of Medicine and Dentistry, Rochester, New York 14642 (United States); Wedekind, Joseph E., E-mail: joseph.wedekind@rochester.edu [Department of Biochemistry and Biophysics, University of Rochester School of Medicine and Dentistry, Rochester, New York 14642 (United States); Department of Chemistry, Biological Chemistry Cluster, River Campus Box 270216, University of Rochester, Rochester, New York 14627-0216 (United States)

    2007-07-01

    Insertion of a dangling 5′-uracil and incorporation of synthetic linkers at the domain interface of a minimal hairpin ribozyme have been investigated as means of favorably influencing crystal packing. These modifications lead to changes in the ribozyme’s structural elements that mimic packing within a natural four-way helical junction, thereby providing an example of how knowledge-based design can be used to enhance the diffraction properties of a tertiarily folded RNA. The hairpin ribozyme is a small catalytic RNA comprising two helix–loop–helix domains linked by a four-way helical junction (4WJ). In its most basic form, each domain can be formed independently and reconstituted without a 4WJ to yield an active enzyme. The production of such minimal junctionless hairpin ribozymes is achievable by chemical synthesis, which has allowed structures to be determined for numerous nucleotide variants. However, abasic and other destabilizing core modifications hinder crystallization. This investigation describes the use of a dangling 5′-U to form an intermolecular U·U mismatch, as well as the use of synthetic linkers to tether the loop A and B domains, including (i) a three-carbon propyl linker (C3L) and (ii) a nine-atom triethylene glycol linker (S9L). Both linker constructs demonstrated similar enzymatic activity, but S9L constructs yielded crystals that diffracted to 2.65 Å resolution or better. In contrast, C3L variants diffracted to 3.35 Å and exhibited a 15 Å expansion of the c axis. Crystal packing of the C3L construct showed a paucity of 6{sub 1} contacts, which comprise numerous backbone to 2′-OH hydrogen bonds in junctionless and S9L complexes. Significantly, the crystal packing in minimal structures mimics stabilizing features observed in the 4WJ hairpin ribozyme structure. The results demonstrate how knowledge-based design can be used to improve diffraction and overcome otherwise destabilizing defects.

  15. Unique Reversible Crystal-to-Crystal Phase Transition – Structural and Functional Properties of Fused Ladder Thienoarenes

    KAUST Repository

    Abe, Yuichiro

    2017-08-15

    Donor-acceptor type molecules based on fused ladder thienoarenes, indacenodithiophene (IDT) and dithienocyclopenta-thienothiophene (DTCTT), coupled with benzothiadiazole, are prepared and their solid-state structures are investigated. They display a rich variety of solid phases ranging from amorphous glass states to crystalline states, upon changes in the central aromatic core and side group structures. Most notably, the DTCTT-based derivatives showed reversible crystal-to-crystal phase transitions in heating and cooling cycles. Unlike what has been seen in π−conjugated molecules variable temperature XRD revealed that structural change occurs continuously during the transition. A columnar self-assembled structure with slip-stacked π−π interaction is proposed to be involved in the solid-state. This research provides the evidence of unique structural behavior of the DTCTT-based molecules through the detailed structural analysis. This unique structural transition paves the way for these materials to have self-healing of crystal defects, leading to improved optoelectronic properties.

  16. Single crystals of superconducting SmFeAsO Hx : Structure and properties

    Science.gov (United States)

    Pisoni, A.; Katrych, S.; Arakcheeva, A.; Verebélyi, T.; Bokor, M.; Huang, P.; Gaál, R.; Matus, P.; Karpinski, J.; Forró, L.

    2016-07-01

    We report the synthesis, structure, and superconducting properties of single crystals of SmFeAsO Hx . The crystals were grown at high pressure and high temperature using a cubic anvil technique. 1H-NMR studies confirm the presence of H atoms in the samples. Single crystal x-ray diffraction analyses demonstrate a remarkable disorder in the S m2O2 layers induced by hydrogen incorporation and reveal that the H positions are compatible with a H2O -like geometry inside the crystals. We have measured the magnetotransport properties of SmFeAsO Hx single crystals with x =0.07 , 0.11, and 0.16 in magnetic field up to 16 T, oriented along the two main crystallographic directions. The results show an increase of the critical temperature with hydrogen content. The zero-temperature upper critical fields and the magnetic anisotropy are calculated as a function of the hydrogen content. SmFeAsO Hx crystals present significantly higher upper critical fields and magnetic anisotropies compared to SmFeAs O1 -xFx compounds.

  17. Dielectric and photo-dielectric properties of TlGaSeS crystals

    Indian Academy of Sciences (India)

    A F Qasrawi; Samah F Abu-Zaid; Salam A Ghanameh; N M Gasanly

    2014-05-01

    The room temperature, dark and photo-dielectric properties of the novel crystals TlGaSeS are investigated in the frequency, intensity and biasing voltage having ranges of ~ 1–120 MHz, 14–40 klux and 0–1 V, respectively. The crystals are observed to exhibit a dark high frequency effective dielectric constant value of ∼ 10.65 × 103 with a quality factor of ∼ 8.84 × 104 at ∼ 120 MHz. The dielectric spectra showed sharp resonance–antiresonance peaks in the frequency range of ∼ 25–250 kHz. When photoexcited, pronounced increase in the dielectric constant and in the quality factor values with increasing illumination intensity are observed. Signal amplification up to ∼ 33% with improved signal quality up to ∼ 29% is attainable via photoexcitation. On the other hand, the illuminated capacitance–voltage characteristics of the crystals reflected a downward shift in the voltage biasing and in the built-in voltage of the device that is associated with increase in the uncompensated carrier density. The increase in the dielectric constant with increasing illumination intensity is ascribed to the decrease in the crystal's resistance as a result of increased free carrier density. The light sensitivity of the crystals, the improved dielectric properties and the lower biasing voltage obtained via photoexcitation and the well-enhanced signal quality factor of the crystals make them promising candidates for optical communication systems.

  18. Mechanical Properties Of Calcium Carbonate Crystallization Of Chitin Reinforced Polymer

    Directory of Open Access Journals (Sweden)

    Michael Ikpi Ofem

    2015-08-01

    Full Text Available ABSTRACT Chitin whiskers and CaCO3 were reinforced with Polyacrylic acid. Mechanical and thermal properties were characterised. The effect of CaCO3 growth on the mechanical properties of chitin whiskers reinforced Polyacrylic acid indicated that better mechanical properties can be achieved at chitin content of 3 wt when compared with neat PAA. The growth of CaCO3 on CHWPAA composite increased the melting endotherm of CHWPAACaCO3 composite when compared with CHWPAA composite. As an indication of increase in thermal stability the final weight loss at the end of decomposition for all composites was between 20 and 37 far below the 78 for the CHWPAA composite and 84 for the pure PAA .

  19. Structural, spectral, thermal, dielectric, mechanical and optical properties of urea L-alanine acetate single crystals

    Science.gov (United States)

    Jaikumar, D.; Kalainathan, S.; Bhagavannarayana, G.

    2010-05-01

    A new organic nonlinear optical crystal, urea L-alanine acetate (ULAA) has been grown by solution growth using slow cooling technique with the vision to improve the properties of the L-alanine crystals. Urea and L-alanine material were mixed in the molar ratio 1:4. Solubility and metastable zone width were determined. Single crystal XRD analyses revealed that the crystal lattice of ULAA is orthorhombic system, primitive lattice with cell parameters a=5.7971 Å, b=6.0391 Å, c=12.3276 Å with space group P2 12 12 1 (D 24). High-resolution X-ray diffraction (HR-XRD) analysis was carried out to study their crystalline perfection. FTIR spectrum was recorded to identify the presence of functional groups and molecular structure was confirmed by 1H NMR spectrum. From the mass spectrum, the ratio of compound formation of ULAA was analyzed. Thermal strength of the grown crystal has been studied using thermo-gravimetric (TG) and differential thermal analysis (DTA). Dielectric measurements reveal that the grown crystals have very low dielectric loss. The mechanical behavior was studied by Vickers microhardness test. The grown crystals were found to be transparent in the entire visible region. Preliminary measurement using Kurtz powder technique with Nd-YAG laser light of wavelength 1064 nm indicates that their second harmonic generation (SHG) efficiency is roughly equal to that of pure KDP.

  20. Chemical Properties of Dipole-Bound Negative Ions

    Science.gov (United States)

    Liu, Y.

    2005-05-01

    In dipole bound negative ions the extra electron is weakly bound by the dipole potential of the neutral molecule in a diffuse orbital localized near the positive end of the dipole. In consequence, it is reasonable to expect that such species will be highly reactive and possess chemical properties similar to those of Rydberg atoms, which also contain a weakly-bound electron in a diffuse orbital. These properties are being examined using a negative ion Penning trap. Data for electron transfer in collisions with attaching targets such as SF6 show that the rate constants for this process are large, ˜ 10-7 cm^3 s-1, and similar to those for free electron attachment. This suggests that collisions can be described in terms of an essentially-free electron model. This is further reinforced by the observation that rotational energy transfer in collisions with polar molecules can lead to rapid electron detachment, again with large rate constants of ˜ 10 -7 cm^3 s-1. Results for several target species will be presented and discussed in light of a free electron model.

  1. Robinia pseudoacacia leaves improve soil physical and chemical properties

    Institute of Scientific and Technical Information of China (English)

    Babar; KHAN; Abdukadir; Ablimit; Rashed; MAHMOOD; Muhammad; QASIM

    2010-01-01

    The role of the leaves of Robinia pseudoacacia L., which is widely distributed in the arid lands, on improving soil physical and chemical properties was analyzed at various incubation periods. The incubated soils added with 0, 25, 50 and 75 g Robinia pseudoacacia leaves were tested after consecutive incubation intervals of 6, 8 and 10 months and the different soil parameters were measured. The results showed the increases in organic matter (OM), extractable K, cation exchange capacity (CEC), aggregate stability and water holding capacity, but the decreases in pH value and bulk density after 6 months’ incubation. The gradual decrease in change rates of soil properties indicated less microbial population and organic residual mineralization under acidic conditions, which were resulted from fast decomposition of leaves after the first 6 months incubation. The increases in soil organic matter content, extractable K, CEC, aggregate stability and water holding capacity and the decreases in soil pH and bulk density provide favorable conditions for crop’s growth.

  2. Robinia pseudoacacia leaves improve soil physical and chemical properties

    Institute of Scientific and Technical Information of China (English)

    Babar KHAN; Abdukadir Ablimit; Rashed MAHMOOD; Muhammad QASIM

    2010-01-01

    The role of the leaves of Robinia pseudoacacia L.,which is widely distributed in the arid lands,on improving soil physical and chemical properties was analyzed at various incubation periods.The incubated soils added with 0,25,50 and 75 g Robinia pseudoacacia leaves were tested after consecutive incubation intervals of 6,8 and 10 months and the different soil parameters were measured.The results showed the increases in organic matter (OM),extractable K,cation exchange capacity (CEC),aggregate stability and water holding capacity,but the decreases in pH value and bulk density after 6 months' incubation.The gradual decrease in change rates of soil properties indicated less microbial population and organic residual mineralization under acidic conditions,which were resulted from fast decomposition of leaves after the first 6 months incubation.The increases in soil organic matter content,extractable K,CEC,aggregate stability and water holding capacity and the decreases in soil pH and bulk density provide favorable conditions for crop's growth.

  3. Improvement of several properties of lead tungstate crystals with different doping ions

    CERN Document Server

    Auffray, Etiennette; Baccaro, Stefania; Cecilia, Angelica; Dafinei, Ioan; Diemoz, Marcella; Jarolímek, O; Korzhik, Mikhail; Lecoq, Paul; Nikl, M

    1998-01-01

    A very good radiation resistance of Lead Tungstate crystals is mandatory for their use in the high precision electromagnetic calorimeter of the CMS experiment at LHC. Since the beginning of 1996 we have organised systematic investigations of the parameters influencing the radiation hardness of this crystal. Two classes of parameters have been particularly studied, the first one related to the control of the stoichiometry and structure associated defects, the second one connected with the suppression and the charge compensation of existing defects with different kinds of doping ions. This paper reports about the second part of this study and complements a first paper where the role of the stoichiometry was already discussed. Results of tests are given on a significant statistical sample of full size crystals ( 23cm) which show a considerable improvement in the optical properties and the radiation resistance of appropriately doped crystals.

  4. Influence of Carbon Nanofiber Addition on Mechanical Properties and Crystallization Behavior of Polypropylene

    Institute of Scientific and Technical Information of China (English)

    Xin TONG; Yong CHEN; Huiming CHENG

    2005-01-01

    Carbon nanofiber (CNF)-reinforced polypropylene (CNF/PP) composites with different CNF contents were prepared by melt mixing, and the mechanical properties and crystallization behavior of the CNF/PP composites obtained were investigated. It was found that the tensile modulus of the composites was increased with the addition of CNFs, but their elongation at break and fracture strain energy were decreased, while the tensile strength of the composites was firstly increased and then decreased due to the agglomeration of CNFs at higher loading. Nonisothermal crystallization analysis showed that the CNFs played a role as nucleating agent in PP matrix, which led to increment in the crystallization rate and the degree of crystallinity of PP. Moreover, X-ray diffraction studies showed that the CNFs incorporated in the PP matrix favored the growth of (040)-oriented PP crystals. With the increase in the CNF content, the nucleating and orientation roles of the CNFs were obviously enhanced.

  5. Chain alignment for improved properties - Optimization of PLA and PHB-V by crystallization and reinforcement

    Science.gov (United States)

    Moser, K.; Bergmann, B.; Diemert, J.; Elsner, P.

    2014-05-01

    In this paper two promising ways to improve the material characteristics of PLA and PHB-V are presented by showing their positive effects on mechanical, optical, and thermal properties. The optimization is achieved by increasing the crystallization from the melt of the polymer chains and the other by means of a reinforcement of the matrices by bio-based materials. In the case of crystallization specific nucleating agents and optimized process parameters promote optimized crystallization conditions and lead particularly in toughness to significant improvements. In addition to crystallization the introduction of cellulose-based reinforcing materials is also a good alternative to improve the ductility of a biopolymer matrix considerably. Due to their polar surface structure cellulose fibres are favouring a very good interaction to the also polar biopolymers. In addition, the polar surfaces of both materials results in very homogeneous dispersion within the compound.

  6. Physical, optical and nonlinear properties of InS single crystal

    Science.gov (United States)

    Kushwaha, Pallavi; Patra, Anuradha; Anjali, E.; Surdi, Harshad; Singh, Abhishek; Gurada, C.; Ramakrishnan, S.; Prabhu, S. S.; Gopal, Achanta Venu; Thamizhavel, A.

    2014-01-01

    Indium Sulphide (InS) single crystals are successfully grown by In flux. Single crystal X-ray diffraction shows orthorhombic structure of Pnnm space group. Ellipsometry measurements performed on the (0 1 0) oriented crystal exhibit low anisotropy in the 300-1000 nm wavelength range and consequently negligible THz transmission is observed. Optical band gap of 2.09 eV is deduced from linear optical measurements. Nonlinear optical properties are studied by single beam Z-scan measurements at 800 nm, where two-photon absorption is present. Nonlinear refractive index and absorption coefficient are estimated to be n2 = 2.3 × 10-11 cm2/W and β = 62.4 cm/GW, respectively for excitation intensity of 0.32 GW/cm2. The origin of nonlinearity in InS crystal is accounted to be due to the third-order anharmonic motion of the bound electrons.

  7. Mechanical properties of layered InSe and GaSe single crystals

    Science.gov (United States)

    Mosca, D. H.; Mattoso, N.; Lepienski, C. M.; Veiga, W.; Mazzaro, I.; Etgens, V. H.; Eddrief, M.

    2002-01-01

    The mechanical properties of InSe and GaSe single crystals have been studied by means of nanoindentation tests. Both bulk crystals are well ordered and present a predominant γ-type interlayer stacking sequence as determined by x-ray diffraction and transmission electron microscopy measurements. The course of plastic deformation induced in the crystals by application of a definite shear stress through the penetration of a Berkovich tip indicates that the deformation occurs predominantly by pop-in events along easy slip directions having a fairly elastic character between displacements. Hardness anisotropy along crystal axes is clearly seen and the measured elastic modulus presents a discrepancy smaller than 5% in comparison with theoretical calculations performed using previous experimental values of the elastic constants.

  8. Dielectric and electromechanical properties of rare earth calcium oxyborate piezoelectric crystals at high temperatures.

    Science.gov (United States)

    Yu, Fapeng; Zhang, Shujun; Zhao, Xian; Yuan, Duorong; Qin, Lifeng; Wang, Qing-Ming; Shrout, Thomas R

    2011-04-01

    The electrical resistivity, dielectric, and electromechanical properties of ReCa(4)O(BO(3))(3) (ReCOB; Re = Er, Y, Gd, Sm, Nd, Pr, and La) piezoelectric crystals were investigated as a function of temperature up to 1000 °C. Of the studied crystals, ErCOB and YCOB were found to possess extremely high resistivity (p): p > 3 × 10(7) ω.cm at 1000 °C. The property variation in ReCOB crystals is discussed with respect to their disordered structure. The highest electromechanical coupling factor κ(26) and piezoelectric coefficient d(26) at 1000°C, were achieved in PrCOB crystals, with values being on the order of 24.7% and 13.1 pC/N, respectively. The high thermal stability of the electromechanical properties, with variation less than 25%, together with the low dielectric loss (factor (>1500) at elevated temperatures of 1000 °C, make ErCOB, YCOB, and GdCOB crystals promising for ultrahigh temperature electromechanical applications.

  9. Electronic properties of crystalline fluorides of a cubic crystal system

    Science.gov (United States)

    Eremin, I. E.; Eremin, E. L.; Demchuk, V. A.; Moiseenko, V. G.

    2014-01-01

    The possibility of effective mathematical modeling of polarization characteristics of crystalline dielectrics is considered. It is shown that the generation of frequency dielectric spectra of the substances under consideration, which equivalent to their physically measured properties, gives the objective possibility of mediated visualization of their electron-atomic structure.

  10. Chemical control of the properties of perovskite oxides

    Science.gov (United States)

    Tachibana, Makoto

    2010-03-01

    Perovskite oxides show a variety of interesting properties that can be tuned by chemical control. In this talk, I will present three examples of how such approach can be used to study the nature of functional properties in perovskites: (1) RMnO3 (R=rare earth) show a variety of unusual states, including the spiral spin ordering and ferroelectricity in R=Tb and Dy. In [1], R=Ho-Lu have been obtained under high pressure, and their magnetic and structural properties have been studied. Combined with the data on larger R, the results show the importance of competing magnetic interactions on the complex phase diagram of RMnO3. (2) RCoO3 show a spin-state transition and an insulator-metal transition as a function of temperature. The nature of the excited states has been studied since the 1950's, but remains elusive. Here [2], I provide the complete electronic phase diagram of RCoO3 that has been obtained from high-pressure synthesis and heat capacity measurements. The results support a picture involving a high-spin state above the spin-state transition and an intermediate-spin state above the insulator-metal transition. (3) Pb(Mg1/3Nb2/3)O3-xPbTiO3 (PMN-xPT) is a relaxor ferroelectric system with extraordinary dielectric and piezoelectric properties. The average structure of the system changes from cubic to rhombohedral, monoclinic, and tetragonal with x. However, this system is also characterized by nanoscale phase inhomogeneities, and the role of polar nanoregions on the enhanced properties is not clear. Here [3], I will show that thermal conductivity and heat capacity of PMN-xPT show a systematic evolution from glasslike to crystalline behavior as a function of x. The results provide interesting perspectives on how polar nanoregions are transformed into macroscopic polarizations with increasing x. [4pt] [1] M. Tachibana et al., Phys. Rev. B 75, 144425 (2007). [0pt] [2] M. Tachibana et al., Phys. Rev. B 77, 094402 (2008). [0pt] [3] M. Tachibana et al., Phys. Rev. B 79

  11. Field stability of piezoelectric shear properties in PIN-PMN-PT crystals under large drive field.

    Science.gov (United States)

    Zhang, Shujun; Li, Fei; Luo, Jun; Xia, Ru; Hackenberger, Wesley; Shrout, Thomas

    2011-02-01

    The coercive fields (E(C)) of Pb(In₀.₅Nb₀.₅)O₃-Pb(Mg(¹/₃)Nb(²/₃)O₃-PbTiO₃ (PIN-PMN-PT) ternary single crystals were found to be 5 kV/cm, double the value of binary Pb(Mg(¹/₃)Nb(²/₃)O₃-PbTiO₃ (PMNT) crystals, further increased to 6 to 9 kV/cm using Mn modifications. In addition to an increased EC, the acceptor modification resulted in the developed internal bias (E(int)), on the order of ~1 kV/cm. The piezoelectric shear properties of unmodified and Mn-modified PIN-PMN-PT crystals with various domain configurations were investigated. The shear piezoelectric coefficients and electromechanical coupling factors for different domain configurations were found to be >2000 pC/N and >0.85, respectively, with slightly reduced properties observed in Mn-modified tetragonal crystals. Fatigue/cycling tests performed on shearmode samples as a function of ac drive field level demonstrated that the allowable ac field levels (the maximum applied ac field before the occurrence of depolarization) were only ~2 kV/cm for unmodified crystals, less than half of their coercive field. Allowable ac drive levels were on the order of 4 to 6 kV/cm for Mn-modified crystals with rhombohedral/orthorhombic phase, further increased to 5 to 8 kV/cm in tetragonal crystals, because of their higher coercive fields. It is of particular interest that the allowable ac drive field level for Mn-modified crystals was found to be ≥ 60% of their coercive fields, because of the developed E(int), induced by the acceptor-oxygen vacancy defect dipoles.

  12. New Kagome metal Sc₃Mn₃Al₇Si₅ and its gallium-doped analogues: synthesis, crystal structure, and physical properties.

    Science.gov (United States)

    He, Hua; Miiller, Wojciech; Aronson, Meigan C

    2014-09-01

    We report the synthesis, crystal structure, and basic properties of the new intermetallic compound Sc3Mn3Al7Si5. The structure of the compound was established by single-crystal X-ray diffraction, and it crystallizes with a hexagonal structure (Sc3Ni11Si4 type) with Mn atoms forming the Kagome nets. The dc magnetic susceptibility measurements reveal a Curie-Weiss moment of ~0.51 μ(B)/Mn; however, no magnetic order is found for temperatures as low as 1.8 K. Electrical resistivity and heat capacity measurements show that this compound is definitively metallic, with a relatively large specific heat Sommerfeld coefficient, indicating strong electronic correlations. Intriguingly, these features have revealed Sc3Mn3Al7Si5 as a possible quantum spin liquid. With chemical and lattice disorder introduced by doping, a spin liquid to spin glass transition is observed in the highest Ga-doped compounds. The roles of the geometrically frustrated structure and Mn-ligand hybridization in the magnetism of the title compounds are also discussed.

  13. Synthesis, Crystal Structure and Electrical Properties of the Molybdenum Oxide

    Directory of Open Access Journals (Sweden)

    Ennajeh Ines

    2013-01-01

    Full Text Available New molybdenum oxide Na1.92Mg2.04Mo3O12 has been synthesized by the solid state method. The title compound crystallizes in the triclinic system (space group P-1. The unit cell parameters are a = 6.9660(7 Å, b = 8.6352(8 Å, c = 10.2501(8 Å, α = 106.938(1°, β = 104.825(1°, γ = 103.206(1°, V = 538.72(9 Å3, and Z = 2. The compound is isotypical to Ag2M2(MoO43 (M = Zn, Mg, Co, Mn. The structure can be described as a three-dimensional anionic mixed framework of MoO4 tetrahedra and pairs of Mg2O10 octahedra sharing common edges. The Na+ ions are disordered and located in the voids forming infinite channels running along the direction [100]. The electrical conductivity investigated from 693 K to 793 K by AC impedance spectroscopy is low ( S cm−1 at 683 K.

  14. Crystallization and Transport Properties of Amorphous Cr-Si Thin Film Thermoelectrics

    Science.gov (United States)

    Novikov, S. V.; Burkov, A. T.; Schumann, J.

    2014-06-01

    We studied the thermoelectric properties, crystallization, and stability of amorphous and nanocrystalline states in Cr-Si composite films. Amorphous films, prepared by magnetron sputtering, were transformed into the nanocrystalline state by annealing with in situ thermopower and electrical resistivity measurements. We have found that the amorphous state is stable in these film composites to about 550 K. Prior to crystallization, the amorphous films undergo a structural relaxation, detected by peculiarities in the temperature dependences of the transport properties, but not visible in x-ray or electron diffraction. The magnitude and temperature dependences of electrical conductivity and thermopower indicate that electron transport in the amorphous films is through extended states. The amorphous films are crystallized at annealing temperatures above 550 K into a nanocrystalline composite with an average grain size of 10-20 nm.

  15. Morphology, crystallization and dynamic mechanical properties of PA66/nano-SiO2 composites

    Indian Academy of Sciences (India)

    Huimin Lu; Xiangmin Xu; Xiaohong Li; Zhijun Zhang

    2006-10-01

    This article addresses the effect of nano-SiO2 on the morphology, crystallization and dynamic mechanical properties of polyamide 66. The influence of nano-SiO2 on the tensile fracture morphology of the nanocomposites was studied by scanning electron microscopy (SEM), which suggested that the nanocomposites revealed an extensive plastic stretch of the matrix polymer. The crystallization behaviour of polyamide 66 and its nanocomposites were studied by differential scanning calorimetry (DSC). DSC nonisothermal curves showed an increase in the crystallization temperature along with increasing degree of crystallinity. Dynamic mechanical properties (DMA) indicated significant improvement in the storage modulus and loss modulus compared with neat polyamide 66. The tan ä peak signifying the glass-transition temperature of nanocomposites shifted to higher temperature.

  16. One- and two-dimensional fluids properties of smectic, lamellar and columnar liquid crystals

    CERN Document Server

    Jakli, Antal

    2006-01-01

    Smectic and lamellar liquid crystals are three-dimensional layered structures in which each layer behaves as a two-dimensional fluid. Because of their reduced dimensionality they have unique physical properties and challenging theoretical descriptions, and are the subject of much current research. One- and Two-Dimensional Fluids: Properties of Smectic, Lamellar and Columnar Liquid Crystals offers a comprehensive review of these phases and their applications. The book details the basic structures and properties of one- and two-dimensional fluids and the nature of phase transitions. The later chapters consider the optical, magnetic, and electrical properties of special structures, including uniformly and non-uniformly aligned anisotropic films, lyotropic lamellar systems, helical and chiral structures, and organic anisotropic materials. Topics also include typical and defective features, magnetic susceptibility, and electrical conductivity. The book concludes with a review of current and potential applications ...

  17. Thermal, defects, mechanical and spectral properties of Nd-doped GdNbO4 laser crystal

    Science.gov (United States)

    Ding, Shoujun; Zhang, Qingli; Luo, Jianqiao; Liu, Wenpeng; Wang, Xiaofei; Sun, Guihua; Li, Xiuli; Sun, Dunlu

    2017-05-01

    A Nd-doped GdNbO4 crystal was grown successfully by Czochralski method. Its monoclinic structure was determined by X-ray diffraction; the unit-cell parameters are a = 5.38 Å, b = 11.09 Å, c = 5.11 Å, and β = 94.56°. The morphological defects of Nd:GdNbO4 crystal were investigated using the chemical etching with the phosphoric acid etchant. For a new crystal, the physical properties are of great importance. The hardness and density of Nd:GdNbO4 were investigated first. Thermal properties of Nd:GdNbO4, including thermal expansion coefficient and specific heat, were measured along a-, b-, and c-crystalline axes. Thermal properties indicate that the Nd:GdNbO4 pumped along c-axis can reduce the thermal lensing effect effectively. The specific heat is 0.53 J g-1 K-1 at 300 K, indicating a relatively high damage threshold of Nd:GdNbO4. The transmission and emission spectrum of Nd:GdNbO4 were measured, and the absorption peaks were assigned. The strongest emission peak of Nd:GdNbO4 is located at 1065.3 nm in the spectral range of 850-1420 nm excited by 808 nm laser. The refractive index of Nd:GdNbO4 was calculated with the transmission spectrum and fitted with Sellmeier equation. All these obtained results is of great significance for the further research of Nd:GdNbO4.

  18. Determining the diffraction properties of a cylindrically bent KAP(001) crystal from 1 to 5 keV

    Energy Technology Data Exchange (ETDEWEB)

    Haugh, Michael [National Security Technologies, LLC. (NSTec), Mercury, NV (United States); Lee, Joshua [National Security Technologies, LLC. (NSTec), Mercury, NV (United States); Jacoby, Kenneth [National Security Technologies, LLC. (NSTec), Mercury, NV (United States); Christensen, C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Loisel, G. [National Security Technologies, LLC. (NSTec), Mercury, NV (United States), Livermore Operations

    2015-08-31

    Various crystals are used for the dispersive component of X-ray spectrometers. The crystals are usually bent to meet the desired measurement needs, such as focusing. The bending can change the crystal diffraction properties, thus altering the spectrometer throughput and resolving power. This work concerns measuring the diffraction properties of a potassium acid phthalate (001) [KAP(001)] crystal bent into a circular cylinder segment. The measurement methods using a diode source and a synchrotron source are described. The multi-lamellar model for calculating the diffraction properties of a bent crystal is described. The measurement results are compared to the multi-lamellar model and show qualitative agreement. The measurements show how to make the multi-lamellar calculations a useful estimate. A method is given to make useful estimates of the diffraction properties of the KAP(001) crystal bent into a circular cylinder segment.

  19. The impact of chemical evolution on the observable properties of stellar populations

    CERN Document Server

    Tosi, M P

    2000-01-01

    The major effects of the chemical evolution of galaxies on the characteristics of their stellar populations are reviewed. A few examples of how the observed stellar properties derived from colour--magnitude diagrams can constrain chemical evolution models are given.

  20. Mechanical properties of uniaxial natural fabric Grewia tilifolia reinforced epoxy based composites: Effects of chemical treatment

    CSIR Research Space (South Africa)

    Jayaramudu, J

    2014-07-01

    Full Text Available The effects of chemical treatment on the mechanical, morphological, and chemical resistance properties of uniaxial natural fabrics, Grewia tilifolia/epoxy composites, were studied. In order to enhance the interfacial bonding between the epoxy matrix...

  1. Quantitative structure-property relationships for chemical functional use and weight fractions in consumer articles

    Science.gov (United States)

    Chemical functional use -- the functional role a chemical plays in processes or products -- may be a useful heuristic for predicting human exposure potential in that it comprises information about the compound's likely physical properties and the product formulations or articles ...

  2. 71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR

    DEFF Research Database (Denmark)

    Vosegaard, Thomas; Massiot, Dominique; Gautier, Nathalie

    1997-01-01

    A single-crystal (71)Ga NMR study of the garnet Y(3)Ga(5)O(12) (YGG) has resulted in the determination of the first chemical shielding tensors reported for the (71)Ga quadrupole. The single-crystal spectra are analyzed in terms of the combined effect of quadrupole coupling and chemical shielding ...

  3. Band structure and optical properties of LiKB4O7 single crystal

    NARCIS (Netherlands)

    Smok, P; Seinert, H; Kityk, [No Value; Berdowski, J

    2003-01-01

    The band structure (BS), electronic charge density distribution and linear optical properties of the LiKB4O7 (LKB4) single crystal are calculated using a self-consistent norm-conserving pseudo-potential method within the framework of the local density approximation theory. Dispersion of the imaginar

  4. Band structure and optical properties of LiKB4O7 single crystal

    NARCIS (Netherlands)

    Smok, P; Seinert, H; Kityk, [No Value; Berdowski, J

    2003-01-01

    The band structure (BS), electronic charge density distribution and linear optical properties of the LiKB4O7 (LKB4) single crystal are calculated using a self-consistent norm-conserving pseudo-potential method within the framework of the local density approximation theory. Dispersion of the imaginar

  5. Effect of ultrasonic impact treatment on the mechanical properties of titanium nickelide single crystal

    Science.gov (United States)

    Surikova, N. S.; Narkevich, N. A.; Surikov, N. Yu.; Vlasov, I. V.; Ovchinnikov, S. V.; Mironov, Yu. P.; Gritsenko, B. P.

    2016-10-01

    Optical and transmission electron microscopy, X-ray diffraction analysis, nanoindentation, measurements of wear, and mechanical uniaxial tensile tests have been used to study the effect of ultrasonic impact surface treatment on the fine structure and the mechanical properties of the surface layers and the deformation behavior of TiNi(Fe, Mo) bulk single crystal samples.

  6. Theoretical hardness calculated from crystallo-chemical data for MoS2 and WS2 crystals and nanostructures.

    Science.gov (United States)

    Petrescu, M I

    2012-10-01

    The calculation of the hardness of Mo and W disulfides using a crystallo-chemical model provides a unique opportunity to obtain separate quantitative information on the maximum hardness H(max) governed by strong intra-layer covalent bonds acting within the (0001) plane versus the minimum hardness H(min) governed by weak inter-layer van der Waals bonds acting along the c-axis of the hexagonal lattice. The penetration hardness derived from fundamental crystallo-chemical data (confirmed by experimental determinations) proved to be far lower in MS(2) (M = Mo, W) than in graphite and hexagonal BN, both for H(max) (H(graph)/H(MoS2) = 3.85; H(graph)/H(WS2) = 3.60; H(hBN)/H(MoS2) = 2.54; H(hBN)/H(WS2) = 2.37) as well as for H(min) (H(graph)/H(MoS2) = 6.22; H(graph)/H(WS2) = 5.87; H(hBN)/H(MoS2) = 4.72; H(hBN)/H(WS2) = 4.46). However, the gap between H(max) and H(min) is considerably larger in MS(2) (M = Mo,W), as indicated by H(max)/H(min) being 279 in 2H-MoS(2), 282 in 2H-WS(2), 173 in graphite and 150 in hBN. The gap was found to be even larger in MS(2) (M = Mo, W) nanostructures. These findings help to explain the excellent properties of MS(2) (M = Mo, W) as solid lubricants in high tech fields, either as bulk 2H crystals (inter-layer shear and peeling off lubricating mechanisms), or especially as onion-like fullerene nanoparticles (rolling/sliding mechanisms).

  7. Chemical and nuclear properties of Rutherfordium (Element 104)

    Energy Technology Data Exchange (ETDEWEB)

    Kacher, C.D.

    1995-10-30

    The chemical-properties of rutherfordium (Rf) and its group 4 homologs were studied by sorption on glass support surfaces coated with cobalt(II)ferrocyanide and by solvent extraction with tributylphosphate (TBP) and triisooctylamine (TIOA). The surface studies showed that the hydrolysis trend in the group 4 elements and the pseudogroup 4 element, lb, decreases in the order Rf>Zr{approx}Hf>Th. This trend was attributed to relativistic effects which predicted that Rf would be more prone to having a coordination number of 6 than 8 in most aqueous solutions due to a destabilization of the 6d{sub 5/2} shell and a stabilization of the 7p{sub l/2} shell. This hydrolysis trend was confirmed in the TBP/HBr solvent extraction studies which showed that the extraction trend decreased in the order Zr>Hf>Rf?Ti for HBr, showing that Rf and Ti did not extract as well because they hydrolyzed more easily than Zr and Hf. The TIOA/HF solvent extraction studies showed that the extraction trend for the group 4 elements decreased in the order Ti>Zr{approx}Hf>Rf, in inverse order from the trend of ionic radii Rf>Zr{approx}Hf>Ti. An attempt was made to produce {sup 263}Rf (a) via the {sup 248}Cm({sup 22}Ne, {alpha}3n) reaction employing thenoyltrifluoroacetone (TTA) solvent extraction chemistry and (b) via the {sup 249}Bk({sup 18}O,4n) reaction employing the Automated Rapid Chemistry Apparatus (ARCA). In the TTA studies, 16 fissions were observed but were all attributed to {sup 256}Fm. No alpha events were observed in the Rf chemical fraction. A 0.2 nb upper limit production cross section for the {sup 248}Cm({sup 22}Ne, {alpha}3n){sup 263}Rf reaction was calculated assuming the 500-sec half-life reported previously by Czerwinski et al. [CZE92A].

  8. Studies on the Properties of ZnO Crystal Plane Grown by the Innovated Hydrothermal Method

    Institute of Scientific and Technical Information of China (English)

    WANG Yong-Hao; CHEN Da-Gui; LI Wei; HUANG Jia-Kui; WANG Guo-Hong; LIN Zhang; HUANG Feng

    2008-01-01

    ZnO single crystals were grown by the innovated hydrothermal method. The crystal surfaces were polished, and then studied by atom force microscope (AFM) and wet-chemical etching (WCE). It was found that the Zn polar plane was smoother than O polar plane under the same polishing conditions. The etch pit density of Zn polar plane is 4.3×103 cm-2,which is consistent with the previous report, while the density of etch pit of O polar plane is more than 103 cm-2. After annealing treatment, the density of etch pit of Zn plane reduces to 5.8×102 cm-2 and is superior to the current report. This investigation reveals that the high quality ZnO single crystals with fine Zn polar plane can be obtained by the innovated hydrothermal method.

  9. Physical, Chemical and Mineral Properties of the Polonnaruwa Stones

    Science.gov (United States)

    Wallis, Jamie; Wickramasinghe, N. C.; Wallis, Daryl H.; Miyake, Nori; Wallis, M. K.; Hoover, Richard B.; Samaranayake, Anil; Wickramarathne, Keerthi; Oldroyd, Anthony

    We report on the physical, chemical and mineral properties of a series of stone fragments recovered from the North Central Province of Sri Lanka following a witnessed fireball event on 29 December 2012. The stones exhibit highly porous poikilitic textures comprising of isotropic silica-rich/plagioclase-like hosts. Inclusions range in size and shape from mm-sized to smaller subangular grains frequently more fractured than the surrounding host and include ilmenite, olivine (fayalitic), quartz and accessory zircon. Bulk mineral compositions include accessory cristobalite, hercynite, anorthite, wuestite, albite, anorthoclase and the high pressure olivine polymorph wadsleyite, suggesting previous endurance of a shock pressure of ~20GPa. Further evidence of shock is confirmed by theconversion of all plagioclase to maskelynite. Here the infrared absorption spectra in the region 580 cm-1 to 380 cm-1 due to the Si-O-Si or Si-O-Al absorption band shows a partial shift in the peak at 380 cm-1 towards 480 cm-1 indicating an intermediate position between crystalline and amorphous phase. Host matrix chemical compositions vary between samples, but all are rich in SiO2. Silica-rich melts display a heterogeneous K-enrichment comparable to that reported in a range of nonterrestrial material from rare iron meteorites to LL chondritic breccias and Lunar granites. Bulk chemical compositions of plagioclase-like samples are comparable to reported data e.g. Miller Ranger 05035 (Lunar), while Si-rich samples accord well with mafic and felsic glasses reported in NWA 1664 (Howardite)as well asdata for fusion crust present in a variety of meteoritic samples.Triple oxygen isotope results show Δ17O = .0.335 with δ18O (‰ rel. SMOW) values of 17.816 ± 0.100 and compare well with those of known CI chondrites and are within the range of CI-like (Meta-C) chondrites. Rare earth elemental abundances show a profound Europium anomaly of between 0.7 and 0.9 ppm while CI normalized REE patterns

  10. Fundamental display properties of flexible devices containing polymer-stabilized ferroelectric liquid crystal between plastic substrates

    Science.gov (United States)

    Fujikake, Hideo; Murashige, Takeshi; Sato, Hiroto; Iino, Yoshiki; Kawakita, Masahiro; Kikuchi, Hiroshi

    2002-09-01

    We describe several fundamental display properties of a flexible ferroelectric liquid crystal device containing polymer fibers between thin plastic substrates. The composite film of liquid crystal and polymer was created from a solution of liquid crystal and monomer materials between the plastic substrates under ultraviolet light irradiation. The dynamic electrooptic response to analog voltage pulses was examined with an incidence of laser beam light, and its light modulation property exhibited good linearity in continuous gray-scale capability. The excellent spatial uniformity of liquid crystal alignment formed between the flexible substrates resulted in high-contrast light modulation, although slight spontaneous bending of liquid crystal alignment in the device plane was recognized. When the laser light beam was obliquely incident on the flexible display device, the measured transmittance revealed that the device has a wide viewing angle of more than 100 deg without contrast reversal. This is considered to be caused by the molecular switching in the device plane and the thin electrooptic layer in the display device.

  11. Optical Properties and Wave Propagation in Semiconductor-Based Two-Dimensional Photonic Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Agio, Mario [Iowa State Univ., Ames, IA (United States)

    2002-12-31

    This work is a theoretical investigation on the physical properties of semiconductor-based two-dimensional photonic crystals, in particular for what concerns systems embedded in planar dielectric waveguides (GaAs/AlGaAs, GaInAsP/InP heterostructures, and self-standing membranes) or based on macro-porous silicon. The photonic-band structure of photonic crystals and photonic-crystal slabs is numerically computed and the associated light-line problem is discussed, which points to the issue of intrinsic out-of-lane diffraction losses for the photonic bands lying above the light line. The photonic states are then classified by the group theory formalism: each mode is related to an irreducible representation of the corresponding small point group. The optical properties are investigated by means of the scattering matrix method, which numerically implements a variable-angle-reflectance experiment; comparison with experiments is also provided. The analysis of surface reflectance proves the existence of selection rules for coupling an external wave to a certain photonic mode. Such rules can be directly derived from symmetry considerations. Lastly, the control of wave propagation in weak-index contrast photonic-crystal slabs is tackled in view of designing building blocks for photonic integrated circuits. The proposed designs are found to comply with the major requirements of low-loss propagation, high and single-mode transmission. These notions are then collected to model a photonic-crystal combiner for an integrated multi-wavelength-source laser.

  12. CRYSTALLIZATION AND MECHANICAL PROPERTIES OF POLYPROPYLENE FILLED WITH SiO2 NANOPARTICLES

    Institute of Scientific and Technical Information of China (English)

    Bao-qing Shentu; Ji-peng Li; Zhi-xue Weng

    2007-01-01

    Oleic acid (OA)-modified SiO2 (OA-m-SiO2) nanoparticles were prepared using surface modification method.Infrared spectroscopy (IR) was used to investigate the structure of the OA-m-SiO2 nanoparticles, and the result showed that OA attached onto the surface of SiO2 nanoparticles through esterification. Effect of OA concentration on the dispersion stability of OA-m-SiO2 in heptane was also studied, and the result indicated that OA-m-SiO2 nanoparticles were dispersed in heptane more stably than the unmodified ones. OA-m-SiO2 nanoparticles can also be dispersed in polypropylene (PP) matrix in nano-scale. The effect of OA-m-SiO2 on crystallization of PP was studied by means of DSC. It was found that the introduction of OA-m-SiO2 resulted in significant increase in the crystallization temperature, crystallization degree and crystallization rate of PP, and OA-m-SiO2 could effectively induce the formation of β-crystal PP. Effect of OA-m-SiO2 content on mechanical properties of PP/OA-m-SiO2 nanocomposites was also studied. The results show that OA-m-SiO2 can significantly improve the mechanical properties of PP.

  13. Hygroscopic, Morphological, and Chemical Properties of Agricultural Aerosols

    Science.gov (United States)

    Hiranuma, N.; Brooks, S. D.; Cheek, L.; Thornton, D. C.; Auvermann, B. W.; Littleton, R.

    2007-12-01

    Agricultural fugitive dust is a significant source of localized air pollution in the semi-arid southern Great Plains. In the Texas Panhandle, daily episodes of ground-level fugitive dust emissions from the cattle feedlots are routinely observed in conjunction with increased cattle activity in the late afternoons and early evenings. We conducted a field study to characterize size-selected agricultural aerosols with respect to hygroscopic, morphological, and chemical properties and to attempt to identify any correlations between these properties. To explore the hygroscopic nature of agricultural particles, we have collected size-resolved aerosol samples using a cascade impactor system at a cattle feedlot in the Texas Panhandle and have used the Environmental Scanning Electron Microscope (ESEM) to determine the water uptake by individual particles in those samples as a function of relative humidity. To characterize the size distribution of agricultural aerosols as a function of time, A GRIMM aerosol spectrometer and Sequential Mobility Particle Sizer and Counter (SMPS) measurements were simultaneously performed in an overall size range of 11 nm to 20 µm diameters at a cattle feedlot. Complementary determination of the elemental composition of individual particles was performed using Energy Dispersive X-ray Spectroscopy (EDS). In addition to the EDS analysis, an ammonia scrubber was used to collect ammonia and ammonium in the gas and particulate phases, respectively. The concentration of these species was quantified offline via UV spectrophotometry at 640 nanometers. The results of this study will provide important particulate emission data from a feedyard, needed to improve our understanding of the role of agricultural particulates in local and regional air quality.

  14. Exploration of crystal simulation potential by fluconazole isomorphism and its application in improvement of pharmaceutical properties

    Science.gov (United States)

    Thakur, Amitha; Kumar, Dinesh; Thipparaboina, Rajesh; Shastri, Nalini R.

    2014-11-01

    Control of crystal morphology during crystallization is a paramount challenge in pharmaceutical processing. Hence, there is need to introduce computational methods for morphology prediction to manage production cost of drugs and improve related pharmaceutical and biopharmaceutical properties. Layer docking approach with molecular dynamics opens a new avenue for crystal habit prediction in presence of solvent. In the present study, attempts were made to correlate predicted and experimental crystal habits of fluconazole considering solvent interactions using layer docking approach. Simulated results from layer docking approach with methanol as solvent gave two dominant facets (0 1 1) and (1 0 1) with a surface area 22.43% and 19.82% respectively, which were in agreement with the experimental results. Experimentally grown modified crystal habit of fluconazole in methanol showed enhanced dissolution rate (pfluconazole recrystallized in methanol was significantly improved when compared to plain drug. This study demonstrates a methodical approach using computational tools for prediction and modification of crystal habit, to enhance dissolution of poorly soluble drugs, for future pharmaceutical applications.

  15. Tl10Hg3Cl16: Single crystal growth, electronic structure and piezoelectric properties

    Science.gov (United States)

    Khyzhun, O. Y.; Piasecki, M.; Kityk, I. V.; Luzhnyi, I.; Fedorchuk, A. O.; Fochuk, P. M.; Levkovets, S. I.; Karpets, M. V.; Parasyuk, O. V.

    2016-10-01

    Single crystal of the ternary halide Tl10Hg3Cl16 was grown using Bridgman-Stockbarger method. For the Tl10Hg3Cl16 crystal, we have measured X-ray photoelectron spectra for both pristine and Ar+ ion-bombarded surfaces and additionally investigated photoinduced piezoelectricity. Our data indicate that the Tl10Hg3Cl16 single crystal surface is very sensitive with respect to Ar+ ion-bombardment. In particular, Ar+ ion-bombardment with energy of 3.0 keV over 5 min at an ion current density of 14 μA/cm2 causes significant changes of the elemental stoichiometry of the Tl10Hg3Cl16 surface resulting in an abrupt decrease of the mercury content in the top surface layers of the studied single crystal. As a result of the treatment, the mercury content becomes nil in the top surface layers. In addition, the present XPS measurements allow for concluding about very low hygroscopicity of the Tl10Hg3Cl16 single crystal surface. The property is extremely important for the crystal handling in optoelectronic or nano-electronic devices working at ambient conditions. The photoinduced piezoelectricity has been explored for Tl10Hg3Cl16 depending on nitrogen (λ=371 nm) laser power density and temperature.

  16. The influence of orientation on the stress rupture properties of nickel-base superalloy single crystals

    Science.gov (United States)

    Mackay, Rebecca A.; Maier, Ralph D.

    1982-10-01

    The influence of orientation on the stress rapture properties of MAR-M247 single crystals was studied. Stress rupture tests were performed at 724 MPa and 774 °C where the effect of anisotropy is prominent. The mechanical behavior of the single crystals was rationalized on the basis of the Schmid factors for the operative slip systems and the lattice rotations which the crystals underwent during deformation. The stress rupture lives at 774 °C were found to be greatly influenced by the lattice rotations required to produce intersecting slip, because second-stage creep does not begin until after the onset of intersecting slip. Crystals which required large rotations to become oriented for intersecting slip exhibited a large primary creep strain, a large effective stress level at the onset of steady-state creep, and consequently, a short stress rupture life. Those crystals having orientations within about 25° of the [001] exhibited significantly longer lives when their orientations were closer to the [001]-[011] boundary of the stereographic triangle than to the [001]-[1l 1] boundary, because they required smaller rotations to produce intersecting slip and the onset of second-stage creep. Thus, the direction off the [001], as well as the number of degrees off the [001], has a major influence on the stress rapture lives of single crystals in this temperature regime.

  17. Crystal structure, vibrational, spectral investigation, quantum chemical DFT calculations and thermal behavior of Diethyl [hydroxy (phenyl) methyl] phosphonate

    Science.gov (United States)

    Ouksel, Louiza; Chafaa, Salah; Bourzami, Riadh; Hamdouni, Noudjoud; Sebais, Miloud; Chafai, Nadjib

    2017-09-01

    Single Diethyl [hydroxy (phenyl) methyl] phosphonate (DHPMP) crystal with chemical formula C11H17O4P, was synthesized via the base-catalyzed Pudovik reaction and Lewis acid as catalyst. The results of SXRD analyzes indicate that this compound crystallizes into a mono-clinic system with space group P21/n symmetry and Z = 4. The crystal structure parameters are a = 9.293 Å, b = 8.103 Å, c = 17.542 Å, β = 95.329° and V = 1315.2 Å3, the structure displays one inter-molecular O-H⋯O hydrogen bonding. The UV-Visible absorption spectrum shows that the crystal exhibits a good optical transmission in the visible domain, and strong absorption in middle ultraviolet one. The vibrational frequencies of various functional groups present in DHPMP crystal have been deduced from FT-IR and FT-Raman spectra and then compared with theoretical values performed with DFT (B3LYP) method using 6-31G (p, d) basis sets. Chemical and thermodynamic parameters such as: ionization potential (I), electron affinity (A), hardness (σ), softness (η), electronegativity (χ) and electrophilicity index (ω), are also calculated using the same theoretical method. The thermal decomposition behavior of DHPMP, studied by using thermogravimetric analysis (TDG), shows a thermal stability until to 125 °C.

  18. Chemical Vapor Deposition of Monolayer Mo(1-x)W(x)S2 Crystals with Tunable Band Gaps.

    Science.gov (United States)

    Wang, Ziqian; Liu, Pan; Ito, Yoshikazu; Ning, Shoucong; Tan, Yongwen; Fujita, Takeshi; Hirata, Akihiko; Chen, Mingwei

    2016-02-22

    Band gap engineering of monolayer transition metal dichalcogenides, such as MoS2 and WS2, is essential for the applications of the two-dimensional (2D) crystals in electronic and optoelectronic devices. Although it is known that chemical mixture can evidently change the band gaps of alloyed Mo(1-x)W(x)S2 crystals, the successful growth of Mo(1-x)W(x)S2 monolayers with tunable Mo/W ratios has not been realized by conventional chemical vapor deposition. Herein, we developed a low-pressure chemical vapor deposition (LP-CVD) method to grow monolayer Mo(1-x)W(x)S2 (x = 0-1) 2D crystals with a wide range of Mo/W ratios. Raman spectroscopy and high-resolution transmission electron microscopy demonstrate the homogeneous mixture of Mo and W in the 2D alloys. Photoluminescence measurements show that the optical band gaps of the monolayer Mo(1-x)W(x)S2 crystals strongly depend on the Mo/W ratios and continuously tunable band gap can be achieved by controlling the W or Mo portion by the LP-CVD.

  19. Chemical properties and antioxidant and antimicrobial activities of Slovenian propolis.

    Science.gov (United States)

    Mavri, Ana; Abramovič, Helena; Polak, Tomaž; Bertoncelj, Jasna; Jamnik, Polona; Smole Možina, Sonja; Jeršek, Barbara

    2012-08-01

    The chemical composition as well as the antioxidant and antimicrobial activities of two EtOH extracts of propolis (PEEs) from Slovenia were determined. EtOH was used as extracting solvent at 70 and 96%, providing the extracts PEE70 and PEE96, respectively. The extraction with 70% EtOH was more efficient than that with 96% EtOH, as the PEE70 was richer in total phenolic compounds than the PEE96. The Slovenian propolis was characterized by different phenolic acids and flavonoids. The PEE96 was slightly richer in three specific compounds, i.e., caffeic acid, ferulic acid, and luteolin, while all other substances detected showed higher contents in the PEE70. The PEE70 showed a stronger reducing power and ability to scavenge free radicals and metal ions than the PEE96. Both PEEs were in the main more effective against Gram-positive bacteria than against fungi and Gram-negative bacteria like Salmonella and Escherichia coli, with the exception of Campylobacter. The PEE96 decreased the intracellular oxidation in Saccharomyces cerevisiae in a dose-dependent manner. The antimicrobial activities and antioxidant properties were related to the total phenolic contents. The two PEEs have the potential for use as natural antimicrobial and antioxidant additives in foods.

  20. Plant polyphenols: chemical properties, biological activities, and synthesis.

    Science.gov (United States)

    Quideau, Stéphane; Deffieux, Denis; Douat-Casassus, Céline; Pouységu, Laurent

    2011-01-17

    Eating five servings of fruits and vegetables per day! This is what is highly recommended and heavily advertised nowadays to the general public to stay fit and healthy! Drinking green tea on a regular basis, eating chocolate from time to time, as well as savoring a couple of glasses of red wine per day have been claimed to increase life expectancy even further! Why? The answer is in fact still under scientific scrutiny, but a particular class of compounds naturally occurring in fruits and vegetables is considered to be crucial for the expression of such human health benefits: the polyphenols! What are these plant products really? What are their physicochemical properties? How do they express their biological activity? Are they really valuable for disease prevention? Can they be used to develop new pharmaceutical drugs? What recent progress has been made toward their preparation by organic synthesis? This Review gives answers from a chemical perspective, summarizes the state of the art, and highlights the most significant advances in the field of polyphenol research. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Mechanical and chemical properties of cysteine-modified kinesin molecules.

    Science.gov (United States)

    Iwatani, S; Iwane, A H; Higuchi, H; Ishii, Y; Yanagida, T

    1999-08-10

    To probe the structural changes within kinesin molecules, we made the mutants of motor domains of two-headed kinesin (4-411 aa) in which either all the five cysteines or all except Cys45 were mutated. A residual cysteine (Cys45) of the kinesin mutant was labeled with an environment-sensitive fluorescent probe, acrylodan. ATPase activity, mechanical properties, and fluorescence intensity of the mutants were measured. Upon acrylodan-labeled kinesin binding to microtubules in the presence of 1 mM AMPPNP, the peak intensity was enhanced by 3.4-fold, indicating the structural change of the kinesin head by the binding. Substitution of cysteines decreased both the maximum microtubule-activated ATPase and the sliding velocity to the same extent. However, the maximum force and the step size were not affected; the force produced by a single molecule was 6-6.5 pN, and a step size due to the hydrolysis of one ATP molecule by kinesin molecules was about 10 nm for all kinesins. This step size was close to a unitary step size of 8 nm. Thus, the mechanical events of kinesin are tightly coupled with the chemical events.

  2. Essential oils from neotropical Myrtaceae: chemical diversity and biological properties.

    Science.gov (United States)

    Stefanello, Maria Élida Alves; Pascoal, Aislan C R F; Salvador, Marcos J

    2011-01-01

    Myrtaceae family (121 genera, 3800-5800 spp.) is one of the most important families in tropical forests. They are aromatic trees or shrubs, which frequently produce edible fruits. In the neotropics, ca. 1000 species were found. Several members of this family are used in folk medicine, mainly as an antidiarrheal, antimicrobial, antioxidant, cleanser, antirheumatic, and anti-inflammatory agent and to decrease the blood cholesterol. In addition, some fruits are eaten fresh or used to make juices, liqueurs, and sweets very much appreciated by people. The flavor composition of some fruits belonging to the Myrtaceae family has been extensively studied due to their pleasant and intense aromas. Most of the essential oils of neotropical Myrtaceae analyzed so far are characterized by predominance of sesquiterpenes, some with important biological properties. In the present work, chemical and pharmacological studies carried out on neotropical Myrtaceae species are reviewed, based on original articles published since 1980. The uses in folk medicine and chemotaxonomic importance of secondary metabolites are also briefly discussed.

  3. Chemical, Mineralogical, and Physical Properties of Martian Dust and Soil

    Science.gov (United States)

    Ming, D. W.; Morris, R. V.

    2017-01-01

    Global and regional dust storms on Mars have been observed from Earth-based telescopes, Mars orbiters, and surface rovers and landers. Dust storms can be global and regional. Dust is material that is suspended into the atmosphere by winds and has a particle size of 1-3 micrometer. Planetary scientist refer to loose unconsolidated materials at the surface as "soil." The term ''soil'' is used here to denote any loose, unconsolidated material that can be distinguished from rocks, bedrock, or strongly cohesive sediments. No implication for the presence or absence of organic materials or living matter is intended. Soil contains local and regional materials mixed with the globally distributed dust by aeolian processes. Loose, unconsolidated surface materials (dust and soil) may pose challenges for human exploration on Mars. Dust will no doubt adhere to spacesuits, vehicles, habitats, and other surface systems. What will be the impacts on human activity? The objective of this paper is to review the chemical, mineralogical, and physical properties of the martian dust and soil.

  4. Surface roughness and chemical properties of porous inorganic films

    Energy Technology Data Exchange (ETDEWEB)

    Eggen, Carrie L.; McAfee, Paul M. [School for Engineering of Matter, Transport and Energy, Arizona State University, Tempe, AZ 85287 (United States); Jin, Yi [China Electric Power Research Institute, Beijing 100192 (China); Lin, Y.S., E-mail: jerry.lin@asu.edu [School for Engineering of Matter, Transport and Energy, Arizona State University, Tempe, AZ 85287 (United States)

    2015-09-30

    Porous inorganic films of different materials and pore architecture: mesoporous γ-alumina, mesoporous yttria stabilized zirconia (YSZ), macroporous YSZ and macroporous/microporous zeolite silicalite, were synthesized by the sol–gel spin-coating or dip-coating methods on silicon wafers of different surface roughness. Their surface chemical properties, pore and phase structure, and surface roughness were studied by various surface characterization methods. The pore sizes of these films are determined by their primary particle size. All the films studied are hydrophilic due to the presence of hydroxyl groups on the external crystallite surface, and their hydrophilicity increases in the order: macroporous YSZ < mesoporous YSZ < silicalite < γ-alumina. The γ-alumina films have highly smooth surfaces, while mesoporous YSZ, macroporous YSZ and silicalite films have similar surface roughness much rougher than γ-alumina films. The surface roughness of these coated films does not depend on the coating method, surface roughness of the substrate, surface chemistry or pore structure of the films. It is more controlled by the shape and size of the primary particles and aggregates in the sol or suspension from which the films are obtained. - Highlights: • Porous films of various pore structures are prepared by sol–gel methods. • γ-Alumina films have much smoother surface than thin films of other materials. • Film surface roughness is controlled by the shape and size of particles in the sols.

  5. Solubility properties of siloxane polymers for chemical sensors

    Energy Technology Data Exchange (ETDEWEB)

    Grate, J.W. [Pacific Northwest Lab., Richland, WA (United States); Abraham, M.H. [University College, London (United Kingdom)

    1995-05-01

    This paper discusses the factors governing the sorption of vapors by organic polymers. The principles have been applied in the past for designing and selecting polymers for acoustic wave sensors; however they apply equally well to sorption of vapors by polymers used on optical chemical sensors. A set of solvation parameters (a table is presented for various organic vapors) have been developed that describe the particular solubility properties of individual solute molecules; they are used in linear solvation energy relationships (LSER) that model the sorption process. LSER coefficients are tabulated for five polysiloxanes; so are individual interaction terms for each of the 5 polymers. Dispersion interactions play a major role in determining overall partition coefficients; the log L{sup 16} (gas-liquid partition coefficient of solute on hexadecane) value of vapors are important in determining overall sorption. For the detection of basic vapors such as organophosphates, a hydrogen-bond acidic polymers will be most effective at sorbing them. Currently, fiber optic sensors are being developed where the cladding serves as a sorbent layer to collect and concentrate analyte vapors, which will be detected and identified spectroscopically. These solubility models will be used to design the polymers for the cladding for particular vapors.

  6. Study of the growth and pyroelectric properties of TGS crystals doped with aniline-family dipolar molecules

    Science.gov (United States)

    Zhang, Kecong; Song, Jiancheng; Wang, Min; Fang, Changshui; Lu, Mengkai

    1987-04-01

    TGS crystals doped with aniline-family dipolar molecules (aniline, 2-aminobenzoic acid, 3-aminobenzoic acid, 3-aminobenzene-sulphonic acid, 4-aminobenzenesulphonic acid and 4-nitroraniline) have been grown by the slow-cooling solution method. The influence of these dopants on the growth habits, crystal morphology pyroelectric properties, and structure parameters of TGS crystals has been systematically investigated. The effects of the domain structure of the seed crystal on the pyroelectric properties of the doped crystals have been studied. It is found that the spontaneous polarization (P), pyroelectric coefficient (lambda), and internal bias field of the doped crystals are slightly higher than those of the pure TGS, and the larger the dipole moment of the dopant molecule, the higher the P and lambda of the doped TGS crystal.

  7. Microstructure-property relationships in directionally solidified single-crystal nickel-base superalloys

    Science.gov (United States)

    Mackay, Rebecca A.; Nathal, Michael V.

    1988-01-01

    This paper discusses some of the microstructural features which influence the creep properties of directionally solidified and single-crystal nickel-base superalloys. Gamma prime precipitate size and morphology, gamma-gamma (prime) lattice mismatch, phase instability, alloy composition, and processing variations are among the factors considered. Recent experimental results are reviewed and related to the operative deformation mechanisms and to the corresponding mechanical properties. Special emphasis is placed on the creep behavior of single-crystal superalloys at high temperatures, where directional gamma (prime) coarsening is prominent, and at lower temperatures, where gamma (prime) coarsening rates are significantly reduced. It can be seen that very subtle changes in microstructural features can have profound effects on the subsequent properties of these materials.

  8. Luminescent properties of the ZnSe:Yb crystals in the visible spectral range

    Energy Technology Data Exchange (ETDEWEB)

    Radevici, I., E-mail: ivarad@utu.fi [Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Faculty of Physics and Engineering, Moldova State University, Mateevici str. 60, MD-2009, Chisinau, Republic of Moldova (Moldova, Republic of); Sushkevich, K. [Faculty of Physics and Engineering, Moldova State University, Mateevici str. 60, MD-2009, Chisinau, Republic of Moldova (Moldova, Republic of); Sirkeli, V. [Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Faculty of Physics and Engineering, Moldova State University, Mateevici str. 60, MD-2009, Chisinau, Republic of Moldova (Moldova, Republic of); Huhtinen, H. [Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Nedeoglo, D. [Faculty of Physics and Engineering, Moldova State University, Mateevici str. 60, MD-2009, Chisinau, Republic of Moldova (Moldova, Republic of); Paturi, P. [Wihuri Physical Laboratory, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland)

    2013-11-15

    Luminescent properties of the ytterbium doped zinc selenide crystals with various concentrations of the doping impurity in 0.03–8 at % range within the temperature interval from 6 K to 300 K were studied. It was shown that ytterbium does not form any proper photoluminescence (PL) bands in the visible spectral range, but it has significant influence on the crystals luminescent properties by changing their defect composition. An attempt to determine ytterbium ion surroundings in the crystal lattice was made based on the obtained experimental results. An assumption about simultaneous compensation of donor and acceptor defects as a result of doping annealing in Zn+X at % Yb melt was made. -- Highlights: • ZnSe:Yb crystals with Yb concentration within 0.03–8 at% range were obtained • Temperature and concentration dependences of ZnSe:Yb PL properties were studied • Ytterbium impurity contribution to formation of the PL bans was determined • A model explaining Yb interaction with native and extrinsic defects was proposed.

  9. Spectroscopic properties of erbium-doped yttria-stabilised zirconia crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ryabochkina, P A; Sidorova, N V [N.P. Ogarev Mordovian State University, Saransk (Russian Federation); Ushakov, S N; Lomonova, E E [A M Prokhorov General Physics Institute, Russian Academy of Sciences, Moscow (Russian Federation)

    2014-02-28

    Yttria-stabilised zirconia crystals ZrO{sub 2} – Y{sub 2}O{sub 3} (6 mol %) – Er{sub 2}O{sub 3} (5.85 mol %) are grown by directional crystallisation in a cold container using direct RF melting. The spectral and luminescent properties of these crystals are studied in order to use them as active media of solid state lasers emitting in the wavelength range 1.5 – 1.7 μm. (active media)

  10. Optical properties of planar nematic liquid crystals samples which are parallel oriented by nanofibers

    Science.gov (United States)

    Yusuf, Yusril; Kusumasari, Ervanggis Minggar; Ula, Nur Mufidatul; Jahidah, Khannah; Triyana, Kuwat; Sosiati, Harini; Harsojo

    2016-04-01

    Optical properties of two nematic liquid crystals, i.e., 4-methoxybenzylidene-4-butylaniline (MBBA) and 4-cyano-4'-pentylbiphenyl (5 CB) which are parallel oriented by nanofibers has been successfully performed. Planar samples of liquid crystals were made using polyvinyl alcohol (PVA) nanofiber from electrospinning process. Electrospinning method was modified using copper (Cu) as gap collector. These planar samples area are 15 mm x 25 mm. Optical characteristic of these samples were studied by using optical polarizing microscope. The optical intensity changes by a rotationof crossed polarizers is observed. The sinusoidal intensity change was observedin these samples as such as in the planar sample prepared by the rubbing method.

  11. Wave properties of Fibonacci-sequence photonic crystals containing single-negative materials

    Science.gov (United States)

    Chen, Mei-Soong; Wu, Chien-Jang; Yang, Tzong-Jer; Fuh, Andy Ying-Guey

    2013-08-01

    Electromagnetic wave properties of a Fibonacci-sequence photonic crystal (FSPC) made of single-negative materials are theoretically investigated. It is found that, in the oblique incidence, such a kind of photonic crystal exhibits additional photonic bands or dips in the vicinity of either magnetic plasma frequency or electric plasma frequency. The additional photonic bands or dips corresponding to magnetic plasma frequency occur only for the TE wave, whereas those corresponding to electric plasma frequency occur only for the TM wave. In addition, we find that there exist omnidiretional gaps in such a single-negative FSPC.

  12. Magnetotransport Properties in High-Quality Ultrathin Two-Dimensional Superconducting Mo2C Crystals.

    Science.gov (United States)

    Wang, Libin; Xu, Chuan; Liu, Zhibo; Chen, Long; Ma, Xiuliang; Cheng, Hui-Ming; Ren, Wencai; Kang, Ning

    2016-04-26

    Ultrathin transition metal carbides are a class of developing two-dimensional (2D) materials with superconductivity and show great potentials for electrical energy storage and other applications. Here, we report low-temperature magnetotransport measurements on high-quality ultrathin 2D superconducting α-Mo2C crystals synthesized by a chemical vapor deposition method. The magnetoresistance curves exhibit reproducible oscillations at low magnetic fields for temperature far below the superconducting transition temperature of the crystals. We interpret the oscillatory magnetoresistance as a consequence of screening currents circling around the boundary of triangle-shaped terraces found on the surface of ultrathin Mo2C crystals. As the sample thickness decreases, the Mo2C crystals exhibit negative magnetoresistance deep in the superconducting transition regime, which reveals strong phase fluctuations of the superconducting order parameters associated with the superconductor-insulator transition. Our results demonstrate that the ultrathin superconducting Mo2C crystals provide an interesting system for studying rich transport phenomena in a 2D crystalline superconductor with enhanced quantum fluctuations.

  13. Structure-property relationships in cubic cuprous iodide: A novel view on stability, chemical bonding, and electronic properties

    Science.gov (United States)

    Pishtshev, A.; Karazhanov, S. Zh.

    2017-02-01

    Based on the combination of density functional theory and theory-group methods, we performed systematic modeling of γ-CuI structural design at the atomistic level. Being started from the metallic copper lattice, we treated a crystal assembly as a stepwise iodination process characterized in terms of a sequence of intermediate lattice geometries. These geometries were selected and validated via screening of possible structural transformations. The genesis of chemical bonding was studied for three structural transformations by analyzing the relevant changes in the topology of valence electron densities. We determined structural trends driven by metal-ligand coupling. This allowed us to suggest the improved scenario of chemical bonding in γ-CuI. In particular, the unconventional effect of spatial separation of metallic and covalent interactions was found to be very important with respect to the preferred arrangements of valence electrons in the iodination process. We rigorously showed that useful electronic and optical properties of γ-CuI originate from the combination of two separated bonding patterns—strong covalency established in I-Cu tetrahedral connections and noncovalent interactions of copper cores is caused by the 3d10 closed-shell electron configurations. The other finding of ours is that the self-consistency of the GW calculations is crucial for correctly determining the dynamic electronic correlations in γ-CuI. Detail reinvestigation of the quasi-particle energy structure by means of the self-consistent GW approach allowed us to explain how p-type electrical conductivity can be engineered in the material.

  14. Structure-property relationships in cubic cuprous iodide: A novel view on stability, chemical bonding, and electronic properties.

    Science.gov (United States)

    Pishtshev, A; Karazhanov, S Zh

    2017-02-14

    Based on the combination of density functional theory and theory-group methods, we performed systematic modeling of γ-CuI structural design at the atomistic level. Being started from the metallic copper lattice, we treated a crystal assembly as a stepwise iodination process characterized in terms of a sequence of intermediate lattice geometries. These geometries were selected and validated via screening of possible structural transformations. The genesis of chemical bonding was studied for three structural transformations by analyzing the relevant changes in the topology of valence electron densities. We determined structural trends driven by metal-ligand coupling. This allowed us to suggest the improved scenario of chemical bonding in γ-CuI. In particular, the unconventional effect of spatial separation of metallic and covalent interactions was found to be very important with respect to the preferred arrangements of valence electrons in the iodination process. We rigorously showed that useful electronic and optical properties of γ-CuI originate from the combination of two separated bonding patterns-strong covalency established in I-Cu tetrahedral connections and noncovalent interactions of copper cores is caused by the 3d(10) closed-shell electron configurations. The other finding of ours is that the self-consistency of the GW calculations is crucial for correctly determining the dynamic electronic correlations in γ-CuI. Detail reinvestigation of the quasi-particle energy structure by means of the self-consistent GW approach allowed us to explain how p-type electrical conductivity can be engineered in the material.

  15. Hydroxyl groups in nonmetamict chevkinite-(Ce):a crystal chemical discussion

    Institute of Scientific and Technical Information of China (English)

    YANG Zhuming; Franz Pertlik; Michel Fleck

    2008-01-01

    The minerals of chevkinite group were commonly considered to be anhydrous minerals. The infrared absorption spectrum of natural nonmetamict chevkinite-(Ce) from the aegirine-alkali granite, Mianning, Sichuan Province, China, exhibited two broad peaks in the 3600-2800 cm-1 region owing to the OH stretching. The corresponding H2O content required for the charge balance in formula was 1.27%. The O-H ··· O bond lengths maight cover from 0.2658 to 0.2794 nm by the correlated OH stretching energies. An electrostatic charge balance for chevkinite-(Ce) based on the assigned site-population from chemical data was calculated without the hydrogen contribution. The resulting empirical bond-valence sum on O6, O8, O2, O3, O5, and O4 ranged from 1.73 to 1.95 vu. The partial substitution of O by OH may occur in four atom sites: O6, O2, O4, and O5. The small differences in the bond-valence sums between the supposed donors and acceptors may mean a mixed donor/acceptor role of the involved oxygen atoms. The IR spectral features between 3394 and 3035 cm-1 consisted of various hydrous species at different structural sites and orientations. The OH groups in the chevkinite-(Ce) appeared to be involved in local charge imbalance in the structure and to be present when the mineral crystallized hydrothermally.

  16. Photonic crystals principles and applications

    CERN Document Server

    Gong, Qihuang

    2013-01-01

    IntroductionPrimary Properties of Photonic CrystalsFabrication of Photonic CrystalsPhotonic Crystal All-Optical SwitchingTunable Photonic Crystal FilterPhotonic Crystal LaserPhotonic Crystal Logic DevicesPhotonic Crystal Sensors

  17. Electro-optical properties of polymer stabilized cholesteric liquid crystal film

    Institute of Scientific and Technical Information of China (English)

    Ma Ji; Zheng Zhi-Gang; Liu Yong-Gang; Xuan Li

    2011-01-01

    Liquid crystals (LCs) and polymers are extensively used in various electro-optical applications. In this paper, normal mode polymer stabilized cholesteric LC film is prepared and studied. The effects of chiral dopant and monomer concentrations on the electro-optical properties, such as contrast ratio, driving voltage, hysteresis width and response time, are investigated. The reasons of electro-optical properties influenced by the concentrations of the materials are discussed. Through the proper material recipe, the electro-optical properties of polymer stabilized cholesteric LC film can be optimized.

  18. Synthesis, crystal structure and physical properties of EuTGe{sub 3} (T = Co, Ni, Rh, Pd, Ir, Pt) single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Bednarchuk, Oleksandr; Gągor, Anna; Kaczorowski, Dariusz, E-mail: D.Kaczorowski@int.pan.wroc.pl

    2015-02-15

    Highlights: • Single crystals of EuTGe{sub 3} (T = Co, Ni, Rh, Pd, Ir, Pt) compounds were prepared. • The crystal structures were refined from single-crystal X-ray diffraction data. • The physical properties of oriented single crystals were determined. • For each compound, an antiferromagnetic ordering was found at low temperatures. - Abstract: Single crystals of six EuTGe{sub 3} compounds with T = Co, Ni, Rh, Pd, Ir and Pt were prepared by high-temperature solution growth method. Their crystal structures of the BaNiSn{sub 3}-type were refined from single-crystal X-ray diffraction data. The physical properties of oriented single-crystalline specimens were studied by means of magnetic susceptibility, heat capacity and electrical resistivity measurements. For each compound, an antiferromagnetic ordering was found to set in at low temperatures due to localized magnetic moments carried on divalent Eu ions. Despite the same crystal structure, the EuTGe{sub 3} compounds exhibit diverse magnetic structures with different directions of the ordered magnetic moments and a variety of dissimilar mutual arrangements of adjacent spins.

  19. Synthesis, growth, structural, optical, thermal, electrical and mechanical properties of hydrogen bonded organic salt crystal: Triethylammonium-3, 5-dinitrosalicylate

    Science.gov (United States)

    Rajkumar, Madhu; Chandramohan, Angannan

    2017-04-01

    Triethylammonium-3, 5-dinitrosalicylate, an organic salt was synthesized and single crystals grown by slow solvent evaporation solution growth technique using methanol as a solvent. The presence of various functional groups and mode of vibrations has been confirmed by FT-IR spectroscopic technique. The UV-vis-NIR Spectrum was recorded in the range 200-1200 nm to find optical transmittance window and lower cut off wavelength of the title crystal. The formation of the salt and the molecular structure was confirmed by NMR spectroscopic technique. Crystal system, crystalline nature, cell parameters and hydrogen bonding interactions of the grown crystal were determined by single crystal x-ray diffraction analysis. The thermal characteristics of grown crystal were analyzed by thermo gravimetric and differential thermal analyses. Dielectric studies were carried out to study the distribution of charges within the crystal. The mechanical properties of the title crystal were studied by Vicker's microhardness technique.

  20. Correlation of the crystal orientation and electrical properties of silicon thin films on glass crystallized by line focus diode laser

    Energy Technology Data Exchange (ETDEWEB)

    Yun, J., E-mail: j.yun@unsw.edu.au [School of Photovoltaic and Renewable Energy Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Huang, J.; Teal, A. [School of Photovoltaic and Renewable Energy Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Kim, K. [School of Photovoltaic and Renewable Energy Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Suntech R& D Australia, Botany, NSW 2019 (Australia); Varlamov, S.; Green, M.A. [School of Photovoltaic and Renewable Energy Engineering, University of New South Wales, Sydney, NSW 2052 (Australia)

    2016-06-30

    In this work, crystallographic orientation of polycrystalline silicon films on glass formed by continuous wave diode laser crystallization was studied. Most of the grain boundaries were coincidence lattice Σ3 twin boundaries and other types of boundaries such as, Σ6, Σ9, and Σ21 were also frequently observed. The highest photoluminescence signal and mobility were observed for a grain with (100) orientation in the normal direction. X-ray diffraction results showed the highest occupancies between 41 and 70% along the (110) orientation. However, the highest occupancies changed to (100) orientation when a 100 nm thick SiO{sub x} capping layer was applied. Suns-Voc measurement and photoluminescence showed that higher solar cell performance is obtained from the cell crystallized with the capping layer, which is suspected from increased occupancies of (100) orientation. - Highlights: • Linear grains parallel to the scan direction formed with high density. • Σ3 coincidence lattice (CSL) boundaries found inside a grain • Grain boundaries exhibit various CSL boundaries such as Σ9, Σ18, and Σ27. • Grain with < 100 > orientation in normal direction showed highest electrical properties. • Improved voltage observed when percentage of < 100 > normal orientation is increased.