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Sample records for natural beryl crystals

  1. Optical Properties of Natural and Synthetic Beryl Crystals

    NASA Astrophysics Data System (ADS)

    Skvortsova, V.; Mironova-Ulmane, N.; Trinkler, L.; Merkulov, V.

    2015-03-01

    The results of investigation of photoluminescence and UV-Visible absorption spectra of natural beryl crystals from Ural Mountains before and after fast neutron irradiation and synthetic crystal grown in Belarus and Russia are presented. Photoluminescence (PL) spectra of synthetic beryl crystals contain a broad band with maxima 740 nm excited both by UV light (λex = 260 nm, 271 nm) and laser excitation (λex =263 nm). This band is connected with Fe2+ ions. The temperature lowering down to 8 K leads to appearance of narrow lines in the 680 - 720 nm regions. Emission lines observed in the luminescence spectra are connected with electron transition 2Eg→4A2g of the Cr3+ ions: R-lines (682.5 nm) arise from isolated Cr3+ ions occupying Al3+ sites; N-lines (691, 698, 703, 706 and 711 nm) arise from several types of exchange-coupled pairs of Cr3+ ions occupying first, second and third nearest and related neighbour Al3+ sites. It is shown that the absorption bands in the 690-580 nm region of natural pale blue beryl crystals caused by neutron irradiation belong to a complex center, which consists of Cr3+ ions and radiation defect - F or F+- center. Presence of Fe2+ ions contributes to the persistence of the complex defect.

  2. Submillimeter ESR spectra of Fe2+ ions in synthetic and natural beryl crystals

    NASA Astrophysics Data System (ADS)

    Shakurov, G. S.; Khaibullin, R. I.; Tomas, V. G.; Fursenko, D. A.; Mashkovtsev, R. I.; Lopatin, O. N.; Nikolaev, A. G.; Gorshunov, B. P.; Zhukova, E. S.

    2017-08-01

    Electron spin resonance spectra of non-Kramers bivalent iron (Fe2+) ions have been detected in synthetic and natural beryl crystals with an iron impurity. The observed ESR spectra have been attributed to resonance transitions of Fe2+ ions from the ground (singlet) state to excited (doublet) levels with the splitting Δ = 12.7 cm-1 between the levels. The experimental angular and frequency dependences of the resonance field of the ESR signal have been described by the spin Hamiltonian with the effective spin S = 1. The analysis of the ESR data and optical absorption spectra indicates that the Fe2+ ions are situated in tetrahedral positions and substitute Be2+ cations in the beryl structure.

  3. Properties of beryl single crystals grown by a high pressure hydrothermal method

    SciTech Connect

    Furusaki, T.; Bando, Y.; Kodaira, K. ); Matsushita, T. )

    1989-08-01

    The authors discuss beryl crystals grown under high pressure hydrothermal condition of 1 GPa. The optimum crystal growth was observed at 600{sup 0}C and from 0.1N NaOH solution. The beryl crystals from 0.1 - 0.3N NaOH solutions incorporated water molecules and alkali cations in the channels of the beryl structure. The crystals showed same refractive indices and density as those of natural emerald crystals. These physical properties were very similar to natural emeralds.

  4. Formation of lanthanum beryllate real structure under different crystallization conditions

    SciTech Connect

    Tsvetkov, E.G. . E-mail: tsvetkov@uiggm.nsc.ru; Rylov, G.M.; Matrosov, V.N.

    2006-02-02

    The aim of this paper is to characterize the major structural defects of lanthanum beryllate single crystals grown by the Czochralski method, including those doped with rare-earth elements, and to reveal their relationship to specific properties of the crystal structure of La{sub 2}Be{sub 2}O{sub 5} and with their crystallization conditions. As a basic method for research, we used transmission X-ray topography. It was established that the defect state of La{sub 2}Be{sub 2}O{sub 5} crystals prepared by this method can be caused by different types of dislocations and their ordered assemblies, solid-phase inclusions of crucible metal and eutectically co-crystallizing phases, as well as by face growth sectors with elevated content of dopant. We show a possibility for growing single crystals of doped lanthanum beryllate having a minimum quantity of structural defects that could be suitable for manufacture of high quality laser rods.

  5. Dipole defects in beryl

    NASA Astrophysics Data System (ADS)

    Holanda, B. A.; Cordeiro, R. C.; Blak, A. R.

    2010-11-01

    Dipole defects in gamma irradiated and thermally treated beryl (Be3Al2Si6O18) samples have been studied using the Thermally Stimulated Depolarization Currents (TSDC) technique. TSDC experiments were performed in pink (morganite), green (emerald), blue (aquamarine) and colourless (goshenite) natural beryl. TSDC spectra present dipole peaks at 190K, 220K, 280K and 310K that change after gamma irradiation and thermal treatments. In morganite samples, for thermal treatments between 700K and 1100K, the 280K peak increase in intensity and the band at 220K disappears. An increase of the 280K peak and a decrease of the 190K peak were observed in the TSDC spectra of morganite after a gamma irradiation of 25kGy performed after the thermal treatments. In the case of emerald samples, thermal treatments enhanced the 280K peak and gamma irradiation partially destroyed this band. The goshenite TSDC spectra present only one band at 280K that is not affected either by thermal treatments or by gamma irradiation. All the observed peaks are of dipolar origin because the intensity of the bands is linearly dependent on the polarization field, behaviour of dipole defects. The systematic study, by means of TSDC measurements, of ionizing irradiation effects and thermal treatments in these crystals makes possible a better understanding of the role played by the impurities in beryl crystals.

  6. Optical and crystal-chemical changes in aquamarines and yellow beryls from Thanh Hoa province, Vietnam induced by heat treatment

    NASA Astrophysics Data System (ADS)

    Fridrichová, Jana; Bačík, Peter; Rusinová, Petra; Antal, Peter; Škoda, Radek; Bizovská, Valéria; Miglierini, Marcel

    2015-04-01

    Optical and crystal-chemical changes in two beryl varieties after the heat treatment were determined using a wide spectrum of analytical methods. Studied aquamarines are generally more enriched in Fe (up to 0.25 apfu) and alkali (up to 0.08 apfu) than yellow beryls (up to 0.07 apfu Fe, up to 0.04 apfu alkali). The determined c/ a ratio of 0.997-0.998 classified all our studied beryls as "normal" beryls. While no crystal structure changes were observed in samples heated to 700 °C, those heated to 900 and 1,100 °C exhibited cracks and fissures. Reduced Fe occurred in samples heated between 300 and 700 °C, and subsequent oxidation from 900 to 1,100 °C induced changes in their colour and clarity. The Fe-bearing beryl colour is controlled by the position of the absorption edge and the presence of a broad band attributed to Fe2+ in the NIR region. Blue colour results from the absorption edge located deeper in the UV region and the presence of broad band in the NIR region. Shift of absorption edge to the visible region at the presence of the broad band gives a yellow colour. Although our studied beryls are enriched in H2O I molecule due to their low alkali content, the H2O II molecule is also present. The following two dehydration processes were observed: (1) release of one double-coordinating H2O II molecule at 300-500 °C and (2) total dehydration at 900-1,100 °C. The observed cracks and fissures likely resulted from channel water release in large beryl crystals.

  7. Investigations of EPR parameters for the trigonal Ti3+-Ti3+ pair in beryl crystal.

    PubMed

    Wang, Fang; Zheng, Wen-Chen

    2007-08-01

    By using the complete diagonalization of energy matrix of 3d1 ions in trigonal symmetry, the EPR parameters (g factors g( parallel), g( perpendicular) and zero-field splitting D) of the trigonal Ti3+-Ti3+ pair in beryl crystal are calculated. In the calculations, the exchange interaction in the Ti3+-Ti3+ pair is taken as the perturbation and the local trigonal distortion in the defect center is considered. The results (which are in agreement with the experimental values) are discussed.

  8. THz-IR spectroscopy of single H2O molecules confined in nanocage of beryl crystal lattice

    NASA Astrophysics Data System (ADS)

    Gorshunov, Boris P.; Zhukova, Elena S.; Torgashev, Victor I.; Motovilova, Elizaveta A.; Lebedev, Vladimir V.; Prokhorov, Anatoly S.; Shakurov, Gil'man S.; Kremer, Reinhard K.; Uskov, Vladimir V.; Pestrjakov, Efim V.; Thomas, Victor G.; Fursenko, Dimitri A.; Kadlec, Christelle; Kadlec, Filip; Dressel, Martin

    2014-11-01

    We have measured the terahertz-infrared (3-7000 cm-1) spectra of the optical conductivity of iron-doped single crystals of beryl, (Mn,Fe):Be3Al2Si6O18, that contain lone water molecules isolated within nanometer-sized cages formed by the ions of beryl crystal lattice. By comparing the spectra with those of dehydrated crystals, we exclude phonon resonances and reconstruct the spectra determined exclusively by vibrations of the water molecules. At liquid-helium temperatures, well-known intramolecular H2O modes are observed above 1000 cm-1 and accompanied with satellite resonances that are combinations of intramolecular and external vibrations of H2O molecules. At terahertz frequencies, a broad bump centred around 20 cm-1 (at 5 K) is observed with three rather narrow resonances at its high-frequency shoulder (38, 42 and 46 cm-1). The origin of these low-energy excitations is discussed.

  9. The co-crystallization of beryl-structure compounds in the Al 2Be 3Si 6O 18—Mg,Ca/F,Cl system

    NASA Astrophysics Data System (ADS)

    Mikhailov, M. A.

    2005-02-01

    An Al 2Be 3Si 6O 18 — Mg, Ca/F, Cl flux system unused earlier has been chosen for the synthesis of beryl (Al 2Be 3Si 6O 18) and its varieties. In such a case of disregarding the well-known rules of the choice of a solvent, the following crystallization features of beryl have been revealed: (1) the beryl co-crystallizes successively and/or simultaneously with isostructural beryllian indialite (Mg 2BeAl 2Si 6O 18); (2) the bulk of beryl crystals is formed only in regions with high concentration of a flux; (3) the solution-melt liquates; (4) the solvent evaporates intensively. The advantages of the flux proposed are both the possibility of using inexpensive steel crucibles and good chromophoric properties of Cr, V, and Ti. Ratios of constitutient elements and some additive those between beryl and beryllian indialite, both grown simultaneously, and between pinacoid and prism in crystals of these compounds are reported.

  10. Vibrational states of a water molecule in a nano-cavity of beryl crystal lattice

    NASA Astrophysics Data System (ADS)

    Zhukova, Elena S.; Torgashev, Victor I.; Gorshunov, Boris P.; Lebedev, Vladimir V.; Shakurov, Gil'man S.; Kremer, Reinhard K.; Pestrjakov, Efim V.; Thomas, Victor G.; Fursenko, Dimitry A.; Prokhorov, Anatoly S.; Dressel, Martin

    2014-06-01

    Low-energy excitations of a single water molecule are studied when confined within a nano-size cavity formed by the ionic crystal lattice. Optical spectra are measured of manganese doped beryl single crystal Mn:Be3Al2Si6O18, that contains water molecules individually isolated in 0.51 nm diameter voids within the crystal lattice. Two types of orientation are distinguished: water-I molecules have their dipole moments aligned perpendicular to the c axis and dipole moments of water-II molecules are parallel to the c-axis. The optical conductivity σ(ν) and permittivity ɛ'(ν) spectra are recorded in terahertz and infrared ranges, at frequencies from several wavenumbers up to ν = 7000 cm-1, at temperatures 5-300 K and for two polarizations, when the electric vector E of the radiation is parallel and perpendicular to the c-axis. Comparative experiments on as-grown and on dehydrated samples allow to identify the spectra of σ(ν) and ɛ'(ν) caused exclusively by water molecules. In the infrared range, well-known internal modes ν1, ν2, and ν3 of the H2O molecule are observed for both polarizations, indicating the presence of water-I and water-II molecules in the crystal. Spectra recorded below 1000 cm-1 reveal a rich set of highly anisotropic features in the low-energy response of H2O molecule in a crystalline nano-cavity. While for E∥c only two absorption peaks are detected, at ˜90 cm-1 and ˜160 cm-1, several absorption bands are discovered for E⊥c, each consisting of narrower resonances. The bands are assigned to librational (400-500 cm-1) and translational (150-200 cm-1) vibrations of water-I molecule that is weakly coupled to the nano-cavity "walls." A model is presented that explains the "fine structure" of the bands by a splitting of the energy levels due to quantum tunneling between the minima in a six-well potential relief felt by a molecule within the cavity.

  11. Vibrational states of a water molecule in a nano-cavity of beryl crystal lattice.

    PubMed

    Zhukova, Elena S; Torgashev, Victor I; Gorshunov, Boris P; Lebedev, Vladimir V; Shakurov, Gil'man S; Kremer, Reinhard K; Pestrjakov, Efim V; Thomas, Victor G; Fursenko, Dimitry A; Prokhorov, Anatoly S; Dressel, Martin

    2014-06-14

    Low-energy excitations of a single water molecule are studied when confined within a nano-size cavity formed by the ionic crystal lattice. Optical spectra are measured of manganese doped beryl single crystal Mn:Be3Al2Si6O18, that contains water molecules individually isolated in 0.51 nm diameter voids within the crystal lattice. Two types of orientation are distinguished: water-I molecules have their dipole moments aligned perpendicular to the c axis and dipole moments of water-II molecules are parallel to the c-axis. The optical conductivity σ(ν) and permittivity ɛ'(ν) spectra are recorded in terahertz and infrared ranges, at frequencies from several wavenumbers up to ν = 7000 cm(-1), at temperatures 5-300 K and for two polarizations, when the electric vector E of the radiation is parallel and perpendicular to the c-axis. Comparative experiments on as-grown and on dehydrated samples allow to identify the spectra of σ(ν) and ɛ'(ν) caused exclusively by water molecules. In the infrared range, well-known internal modes ν1, ν2, and ν3 of the H2O molecule are observed for both polarizations, indicating the presence of water-I and water-II molecules in the crystal. Spectra recorded below 1000 cm(-1) reveal a rich set of highly anisotropic features in the low-energy response of H2O molecule in a crystalline nano-cavity. While for E∥c only two absorption peaks are detected, at ~90 cm(-1) and ~160 cm(-1), several absorption bands are discovered for E⊥c, each consisting of narrower resonances. The bands are assigned to librational (400-500 cm(-1)) and translational (150-200 cm(-1)) vibrations of water-I molecule that is weakly coupled to the nano-cavity "walls." A model is presented that explains the "fine structure" of the bands by a splitting of the energy levels due to quantum tunneling between the minima in a six-well potential relief felt by a molecule within the cavity.

  12. Infrared Spectroscopic Characteristics and Ionic Occupations in Crystalline Tunneling System of Yellow Beryl

    NASA Astrophysics Data System (ADS)

    Yu, Xiaoyan; Hu, Dingyu; Niu, Xiaowei; Kang, Weirui

    2017-02-01

    Infrared spectroscopic characteristics and ionic occupations in a crystalline tunneling system of yellow beryl crystals from Inner Mongolia, China, were investigated by standard gemological methods, laser ablation inductively coupled plasma mass spectrometry, x-ray diffraction, ultraviolet-visible (UV-Vis) spectrophotometry, and infrared (IR) spectroscopy in this study. The refractive index, specific gravity, and chemical composition of the samples are shown within the range of natural yellow beryls previously reported. The unit cell dimensions of the beryls are 9.208-9.212 Å for a and 9.105-9.206 Å for c with a ratio of c/a = 0.9985-0.9994. The beryl samples are generally alkali-poor beryls with Fe <0.05 and alkali <0.03 atoms per formula unit in the channel sites. The standard gemological test and mid-IR confirmed that these samples are natural beryl. However, polarized UV-Vis spectra showed an absorption band at 689 nm, and all polarized IR spectra of samples displayed a 7217-cm-1 infrared absorption in the studied samples which was associated with irradiation of the coloration. This treatment of color irradiation can be detected from the beryl channels with 689-nm absorption and 7217-cm-1 infrared absorption.

  13. Infrared Spectroscopic Characteristics and Ionic Occupations in Crystalline Tunneling System of Yellow Beryl

    NASA Astrophysics Data System (ADS)

    Yu, Xiaoyan; Hu, Dingyu; Niu, Xiaowei; Kang, Weirui

    2017-04-01

    Infrared spectroscopic characteristics and ionic occupations in a crystalline tunneling system of yellow beryl crystals from Inner Mongolia, China, were investigated by standard gemological methods, laser ablation inductively coupled plasma mass spectrometry, x-ray diffraction, ultraviolet-visible (UV-Vis) spectrophotometry, and infrared (IR) spectroscopy in this study. The refractive index, specific gravity, and chemical composition of the samples are shown within the range of natural yellow beryls previously reported. The unit cell dimensions of the beryls are 9.208-9.212 Å for a and 9.105-9.206 Å for c with a ratio of c/a = 0.9985-0.9994. The beryl samples are generally alkali-poor beryls with Fe <0.05 and alkali <0.03 atoms per formula unit in the channel sites. The standard gemological test and mid-IR confirmed that these samples are natural beryl. However, polarized UV-Vis spectra showed an absorption band at 689 nm, and all polarized IR spectra of samples displayed a 7217-cm-1 infrared absorption in the studied samples which was associated with irradiation of the coloration. This treatment of color irradiation can be detected from the beryl channels with 689-nm absorption and 7217-cm-1 infrared absorption.

  14. Anisotropic dynamics of water ultraconfined in macroscopically oriented channels of single-crystal beryl: A multifrequency analysis

    NASA Astrophysics Data System (ADS)

    Anovitz, Lawrence M.; Mamontov, Eugene; ben Ishai, Paul; Kolesnikov, Alexander I.

    2013-11-01

    The properties of fluids can be significantly altered by the geometry of their confining environments. While there has been significant work on the properties of such confined fluids, the properties of fluids under ultraconfinement, environments where, at least in one plane, the dimensions of the confining environment are similar to that of the confined molecule, have not been investigated. This paper investigates the dynamic properties of water in beryl (Be3Al2Si6O18), the structure of which contains approximately 5-Å-diam channels parallel to the c axis. Three techniques, inelastic neutron scattering, quasielastic neutron scattering, and dielectric spectroscopy, have been used to quantify these properties over a dynamic range covering approximately 16 orders of magnitude. Because beryl can be obtained in large single crystals we were able to quantify directional variations, perpendicular and parallel to the channel directions, in the dynamics of the confined fluid. These are significantly anisotropic and, somewhat counterintuitively, show that vibrations parallel to the c-axis channels are significantly more hindered than those perpendicular to the channels. The effective potential for vibrations in the c direction is harder than the potential in directions perpendicular to it. There is evidence of single-file diffusion of water molecules along the channels at higher temperatures, but below 150 K this diffusion is strongly suppressed. No such suppression, however, has been observed in the channel-perpendicular direction. Inelastic neutron scattering spectra include an intramolecular stretching O-H peak at ˜465 meV. As this is nearly coincident with that known for free water molecules and approximately 30 meV higher than that in liquid water or ice, this suggests that there is no hydrogen bonding constraining vibrations between the channel water and the beryl structure. However, dielectric spectroscopic measurements at higher temperatures and lower frequencies

  15. Anisotropic dynamics of water ultraconfined in macroscopically oriented channels of single-crystal beryl: a multifrequency analysis.

    PubMed

    Anovitz, Lawrence M; Mamontov, Eugene; ben Ishai, Paul; Kolesnikov, Alexander I

    2013-11-01

    The properties of fluids can be significantly altered by the geometry of their confining environments. While there has been significant work on the properties of such confined fluids, the properties of fluids under ultraconfinement, environments where, at least in one plane, the dimensions of the confining environment are similar to that of the confined molecule, have not been investigated. This paper investigates the dynamic properties of water in beryl (Be(3)Al(2)Si(6)O(18)), the structure of which contains approximately 5-Å-diam channels parallel to the c axis. Three techniques, inelastic neutron scattering, quasielastic neutron scattering, and dielectric spectroscopy, have been used to quantify these properties over a dynamic range covering approximately 16 orders of magnitude. Because beryl can be obtained in large single crystals we were able to quantify directional variations, perpendicular and parallel to the channel directions, in the dynamics of the confined fluid. These are significantly anisotropic and, somewhat counterintuitively, show that vibrations parallel to the c-axis channels are significantly more hindered than those perpendicular to the channels. The effective potential for vibrations in the c direction is harder than the potential in directions perpendicular to it. There is evidence of single-file diffusion of water molecules along the channels at higher temperatures, but below 150 K this diffusion is strongly suppressed. No such suppression, however, has been observed in the channel-perpendicular direction. Inelastic neutron scattering spectra include an intramolecular stretching O-H peak at ~465 meV. As this is nearly coincident with that known for free water molecules and approximately 30 meV higher than that in liquid water or ice, this suggests that there is no hydrogen bonding constraining vibrations between the channel water and the beryl structure. However, dielectric spectroscopic measurements at higher temperatures and lower

  16. Atomic resolution imaging of beryl: an investigation of the nano-channel occupation.

    PubMed

    Arivazhagan, V; Schmitz, F D; Vullum, P E; VAN Helvoort, A T J; Holst, B

    2017-02-01

    Beryl in different varieties (emerald, aquamarine, heliodor etc.) displays a wide range of colours that have fascinated humans throughout history. Beryl is a hexagonal cyclo-silicate (ring-silicate) with channels going through the crystal along the c-axis. The channels are about 0.5 nm in diameter and can be occupied by water and alkali ions. Pure beryl (Be3 Al2 Si6 O18 ) is colourless (variety goshenite). The characteristic colours are believed to be mainly generated through substitutions with metal atoms in the lattice. Which atoms that are substituted is still debated it has been proposed that metal ions may also be enclosed in the channels and that this can also contribute to the crystal colouring. So far spectroscopy studies have not been able to fully answer this. Here we present the first experiments using atomic resolution scanning transmission electron microscope imaging (STEM) to investigate the channel occupation in beryl. We present images of a natural beryl crystal (variety heliodor) from the Bin Thuan Province in Vietnam. The channel occupation can be visualized. Based on the image contrast in combination with ex situ element analysis we suggest that some or all of the atoms that are visible in the channels are Fe ions. © 2016 The Authors. Journal of Microscopy published by JohnWiley & Sons, Ltd on behalf of the Royal Microscopical Society.

  17. Infrared spectroscopy of OD vibrators in minerals at natural dilution: hydroxyl groups in talc and kaolinite, and structural water in beryl and emerald.

    PubMed

    de Donato, Philippe; Cheilletz, Alain; Barres, Odile; Yvon, Jacques

    2004-05-01

    An infrared (IR) study of natural deuteration is conducted on minerals containing hydroxyl groups (talc and kaolinite) and channel-water-bearing minerals (beryl and emerald). In talc, the OD valence vibration is located at 2710 cm(-1), corresponding to OD groups surrounded by 3 Mg atoms. In kaolinite, the OD valence vibrations are located at 2671 cm(-1) (inner OD group), 2712, 2706, and 2700 cm(-1) (three inner-surface OD groups). In beryl and emerald, natural deuteration of channel water is observed for the first time by infrared microspectroscopy. In beryl from Minas Gerais (Brazil), the OD profiles are characterized by four bands at 2735, 2686, 2672, and 2641 cm(-1). In emeralds from Colombia and Brazil, the OD profiles are characterized by five or four bands, respectively, at 2816, 2737, 2685, 2673, and 2641 cm(-1) (Colombia) and 2730, 2684, 2672, and 2640 cm(-1) (Brazil). The band at 2816 cm(-1) can be assigned to -OD or OD(-), and bands at 2686-2684, 2673-2672, and 2641-2640 cm(-1) can be assigned to type-I and type-II HOD molecules. The band at 2737-2730 cm(-1) is partially disturbed by combination bands of the mineral. Such OD profiles are different from those obtained by artificial deuteration at higher OD dilution.

  18. Foreign molecules and ions in beryl obtained by infrared and visible spectroscopy

    NASA Astrophysics Data System (ADS)

    Jelić, Ivana; Logar, Mihovil; Milošević, Maja

    2017-04-01

    Beryl minerals of Serbia were slightly studied in the last century and despite that there is some obtainable data about main characteristics there is a limited amount of information about foreign molecules in the mineral structure. Two beryl samples from different locations in Serbia were examined in detail but infrared spectroscopy (IR) and spectrophotometry (VIS) was used for determination of foreign molecules and ions in the structure and the obtained data is shown in this paper. The infrared (IR) and visible spectra (VIS) of two natural beryl samples indicate the presence of two types of water molecule, Fe2+, Fe3+ ions and CO3. The spectra of two types of water molecules can be recognized with molecular fundamental vibrations at 3687 cm-1 (asymmetric stretching) for type I, at 3574 cm-1 and 3585 cm-1 both symmetric stretching, and with deformation vibrations at 1627 cm-1 and 1632 cm-1 for type II. In range of symmetric stretching there is broad vibrational band which can be explained by presence of water molecules type II near alkali ions. Overtones and combinations of these fundamental vibrations have been identified. The type I molecules have their C2 symmetry axes perpendicular to the crystal C6 axis, while the type II molecules are rotated by 90 degrees and have their C2 symmetry axes parallel to the crystal C6 axis. Vibrational absorption frequency of 1425 cm-1 indicate the presence of CO3. Pale blue beryl is colored according to the relative intensities of two spectral features attributable to iron ions: a) a broad band in the extraordinary ray (Er) at 16000 cm-1 due to Fe2+ in a channel site and b) a broad band in range of 22500-31400 cm-1 in both ordinary ray (Or) and Er due to octahedral Fe3+ in the Al3+ site. Two other features, also attributable to iron, do not produce any visible coloration: a) an absorption edge at 12350 cm-1 in Or is due to Fe2+ in the octahedral site and b) a broad band in Er and Or, centered around 12350 cm-1, is due to Fe2+ in

  19. Comparative efficiency of natural crystals and multilayers as dispersing devices in the copper L(2,3) range.

    PubMed

    Pirocchi, M; Barchewitz, R; Bodeur, S; Esteva, J M; Lepetre, Y; Rivoira, R; Philip, R; Rasigni, G

    1986-10-15

    Recent sputtering techniques have been used to produce layered synthetic microstructures (LSMs) as dispersing devices for varied applications in x-ray optics and spectroscopy. These analyzers, specially suited for synchrotron radiation, have been mounted in a two-parallel crystal monochromator. In this paper we show the first experimental results obtained with beryl crystals and multilayers for analyzing x-ray spectral distributions transmitted through screens or reflected on mirrors of copper near the L(2) and L(3) absorption edges. The significance of these findings is discussed in terms of comparison with natural and synthetic crystals and of designing a useful dispersing device for x-ray spectroscopy.

  20. Mineralogical and geochemical characteristics of BERYL (AQUAMARINE) from the Erongo Volcanic Complex, Namibia

    NASA Astrophysics Data System (ADS)

    Lum, Jullieta Enone; Viljoen, Fanus; Cairncross, Bruce; Frei, Dirk

    2016-12-01

    The granite hosted pegmatites of the Erongo Volcanic Complex in central Namibia are well known for the wide variety of minerals present, of considerable interest to mineral collectors. These include (amongst others) often spectacular, museum quality examples of beryl, schorl, jeremejevite, fluorite, quartz, goethite and cassiterite. The locality is particularly recognized for hosting a variety of beryl types, including green, yellow (heliodor), colorless (goshenite) and blue/greenish blue (aquamarine) variants. Comprehensive geochemical studies of the Erongo beryls are very limited. The present contribution serves to document the visual characteristics (colour, colour zoning, inclusion content) as well as the major and trace element chemistry of 42 blue, two green and one colorless beryl from Erongo, and to compare these with other localities worldwide. The beryls from Erongo are generally subhedral to euhedral with a well-formed prismatic habit. Idiomorphic crystals, characterised by strong hexagonal prisms, are common. Beryl is commonly associated with schorl, quartz, muscovite, alkali feldspar, plagioclase feldspar, iron oxides, foitite, rossmanite and cassiterite. Aquamarines range from pale blue to deep blue or greenish blue, with marked colour zoning seen in a number of samples. One of the two green beryls examined is of a medium green colour, and is heavily included, while the other specimen has a pale yellowish green colour. The goshenite sample is colourless, clear, and transparent. Numerous cracks are present in the samples examined, and these are usually filled by iron oxides. Inclusions species encountered in the beryl samples are schorl, quartz, muscovite, feldspar, iron oxides and cassiterite, clearly reflective of the host pegmatite mineralogy. Aquamarine and green beryl contain iron as the main chromophore while goshenite is devoid of chromophores. Fe contents in beryl increase with colour intensity, consistent with the known chromatic effects of Fe

  1. Natural photonic crystals

    NASA Astrophysics Data System (ADS)

    Vigneron, Jean Pol; Simonis, Priscilla

    2012-10-01

    Photonic structures appeared in nature several hundred millions years ago. In the living world, color is used for communication and this important function strongly impacts the individual chances of survival as well as the chances to reproduce. This has a statistical influence on species populations. Therefore, because they are involved in evolution, natural color-generating structures are - from some point of view - highly optimized. In this short review, a survey is presented of the development of natural photonic crystal-type structures occurring in insects, spiders, birds, fishes and other marine animals, in plants and more, from the standpoint of light-waves propagation. One-, two-, and three-dimensional structures will be reviewed with selected examples.

  2. Single Crystals Grown Under Unconstrained Conditions

    NASA Astrophysics Data System (ADS)

    Sunagawa, Ichiro

    Based on detailed investigations on morphology (evolution and variation in external forms), surface microtopography of crystal faces (spirals and etch figures), internal morphology (growth sectors, growth banding and associated impurity partitioning) and perfection (dislocations and other lattice defects) in single crystals, we can deduce how and by what mechanism the crystal grew and experienced fluctuation in growth parameters through its growth and post-growth history under unconstrained condition. The information is useful not only in finding appropriate way to growing highly perfect and homogeneous single crystals, but also in deciphering letters sent from the depth of the Earth and the Space. It is also useful in discriminating synthetic from natural gemstones. In this chapter, available methods to obtain molecular information are briefly summarized, and actual examples to demonstrate the importance of this type of investigations are selected from both natural minerals (diamond, quartz, hematite, corundum, beryl, phlogopite) and synthetic crystals (SiC, diamond, corundum, beryl).

  3. Beryl pegmatite at Jabal Tarban, southern Najd region, Kingdom of Saudi Arabia

    NASA Astrophysics Data System (ADS)

    Jackson, Norman J.

    Beryl pegmatite near Jabal Tarban forms a carapace on a small stock of alkali-feldspar microgranite. Geological, petrographic and geochemical features indicate a genetic relationship between pegmatite and microgranite. Crystallization of quartz and alkali feldspar from a low-Ca granitic magma resulted in formation of a residuum enriched in rare elements. Silica separated from this residuum to form a pegmatitic carapace over the stock; the remainder crystallized as the fine-grained albite-rich groundmass of the microgranite.

  4. Blue, complexly zoned, (Na,Mg,Fe,Li)-rich beryl from quartz-calcite veins in low-grade metamorphosed Fe-deposit Skály near Rýmařov, Czech Republic

    NASA Astrophysics Data System (ADS)

    Novák, Milan; Gadas, Petr; Filip, Jan; Vaculovič, Tomáš; Přikryl, Jan; Fojt, Bohuslav

    2011-10-01

    Syn-tectonic quartz-calcite veins containing blue beryl are enclosed in hematite > magnetite-rich portions of the low-grade metamorphosed Fe-deposit Skály near Rýmařov, Czech Republic. Aggregates of pale to deep blue beryl, up to 2 cm in diameter, are associated with euclase, clinochlore, hematite, albite and dravite. Complexly zoned beryl crystals consist of skeletal aggregates of beryl I randomly distributed within volumetrically dominant beryl II with narrow rims of beryl III. All types of beryl have similar contents of Na (0.32-0.49 apfu) and Mg (0.31-0.41 apfu) but variable contents of Fetot (0.05-0.34 apfu) and Al (1.20-1.62 apfu). The LA-ICP-MS study yielded elevated contents of Li, up 1,314 ppm (0.28 wt.% Li2O) in beryl I. The quartz-calcite veins represent an unusual type of low-T metamorphic-hydrothermal vein related to Fe-ore deposit characterized by single-stage fracturing and mobilization in a closed system at T~200-300°C and CO{3/2-} as a major complexing agent for the mobility of Be.

  5. Beryl-II, a high-pressure phase of beryl: Raman and luminescence spectroscopy to 16.4 GPa

    NASA Astrophysics Data System (ADS)

    O'Bannon, Earl; Williams, Quentin

    2016-10-01

    The Raman and Cr3+ and V2+ luminescence spectra of beryl and emerald have been characterized up to 15.0 and 16.4 GPa, respectively. The Raman spectra show that an E 1g symmetry mode at 138 cm-1 shifts negatively by -4.57 (±0.55) cm-1/GPa, and an extrapolation of the pressure dependence of this mode indicates that a soft-mode transition should occur near 12 GPa. Such a transition is in accord with prior theoretical results. Dramatic changes in Raman mode intensities and positions occur between 11.2 and 15.0 GPa. These changes are indicative of a phase transition that primarily involves tilting and mild distortion of the Si6O18 rings. New Raman modes are not observed in the high-pressure phase, which indicates that the local bonding environment is not altered dramatically across the transition (e.g., changes in coordination do not occur). Both sharp line and broadband luminescence are observed for both Cr3+ and V2+ in emerald under compression to 16.4 GPa. The R-lines of both Cr3+ and V2+ shift to lower energy (longer wavelength) under compression. Both R-lines of Cr3+ split at ~13.7 GPa, and the V2+ R1 slope changes at this pressure and shifts more rapidly up to ~16.4 GPa. The Cr3+ R-line splitting and FWHM show more complex behavior, but also shift in behavior at ~13.7 GPa. These changes in the pressure dependency of the Cr3+ and V2+ R-lines and the changes in R-line splitting and FWHM at ~13.7 GPa further demonstrate that a phase transition occurs at this pressure, in good agreement with our Raman results. The high-pressure phase of beryl appears to have two Al sites that become more regular under compression. Hysteresis is not observed in our Raman or luminescence spectra on decompression, suggesting that this transition is second order in nature: The occurrence of a second-order transition near this pressure is also in accord with prior theoretical results. We speculate that the high-pressure phase (beryl-II) might be a mildly modulated structure, and/or that

  6. Compressibility and equation of state of beryl (Be3Al2Si6O18) by using a diamond anvil cell and in situ synchrotron X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Fan, Dawei; Xu, Jingui; Kuang, Yunqian; Li, Xiaodong; Li, Yanchun; Xie, Hongsen

    2015-07-01

    High-pressure single-crystal synchrotron X-ray diffraction was carried out on a single crystal of natural beryl compressed in a diamond anvil cell. The pressure-volume ( P- V) data from room pressure to 9.51 GPa were fitted by a third-order Birch-Murnaghan equation of state (BM-EoS) and resulted in unit-cell volume V 0 = 675.5 ± 0.1 Å3, isothermal bulk modulus K 0 = 180 ± 2 GPa, and its pressure derivative = 4.2 ± 0.5. We also calculated V 0 = 675.5 ± 0.1 Å3 and K 0 = 181 ± 1GPa with fixed at 4.0 and then obtained the axial moduli for a ( K a0)-axis and c ( K c0)-axis of 209 ± 1 and 141 ± 2 GPa by "linearized" BM-EoS approach. The axial compressibilities of a-axis and c-axis are β a = 1.59 × 10-3 GPa-1 and β c = 2.36 × 10-3 GPa-1 with an anisotropic ratio of β a :β c = 0.67:1.00. On the other hand, the pressure-volume-temperature ( P- V- T) EoS of the natural beryl has also been measured at temperatures up to 750 K and at pressures up to 16.81 GPa, using diamond anvil cell in conjunction with in situ synchrotron angle-dispersive powder X-ray diffraction. The P- V data at room temperature and at a pressure range of 0.0001-15.84 GPa were then analyzed by third-order BM-EoS and yielded V 0 = 675.3 ± 0.1 Å3, K 0 = 180 ± 2 GPa, = 4.2 ± 0.3. With fixed to 4.0, we also obtained V 0 = 675.2 ± 0.1 Å3 and K 0 = 182 ± 1 GPa. Consequently, we fitted the P- V- T data with high-temperature BM-EoS approach using the resultant (4.2) from room-temperature BM-EoS and then obtained the thermoelastic parameters of V 0 = 675.3 ± 0.2 Å3, K 0 = 180 ± 1 GPa, temperature derivative of the bulk modulus ( ∂K/∂T) P = -0.017 ± 0.004 GPa K-1, and thermal expansion coefficient at ambient conditions α 0 = (2.82 ± 0.74) × 10-6 K-1. Present results were also compared with previous studies for beryl. From the comparison of these fittings, we propose to constrain K 0 = 180 GPa and = 4.2 for beryl. And we also observed that beryl exhibits anisotropic thermal expansion

  7. Crystal structure and chirality of natural floridoside.

    PubMed

    Simon-Colin, Christelle; Michaud, François; Léger, Jean-Michel; Deslandes, Eric

    2003-10-31

    The crystal structure and absolute configuration of natural floridoside (2-O-alpha-D-galactopyranosylglycerol) were determined by single-crystal X-ray diffraction analysis. The space group is orthorhombic P2(1)2(1)2(1) with Z=4, a=4.885(1), b=9.734(1), c=23.886(2) A at 296 +/- 2 K. The structure was solved by a direct method and refined to R=0.0351 from 1914 reflections of Cu Kalpha radiation.

  8. Natural photonic crystals: formation, structure, function

    NASA Astrophysics Data System (ADS)

    Bartl, Michael H.; Dahlby, Michael R.; Barrows, Frank P.; Richens, Zachary J.; Terooatea, Tommy; Jorgensen, Matthew R.

    2012-03-01

    The structure and properties of natural photonic crystals are discussed using the colored scales of the beetle Lamprocyphus augustus as an example. While the exact mechanism behind the formation of these biopolymeric photonic structures has yet to be fully explored, similarities of these structures to intracellular cubic membrane architectures are introduced. Some crucial parameters behind the formation of cubic membranes are discussed. Using these insights, intracellular cubic membrane structures are transformed into an extracellular environment.

  9. Crystal chemistry of the natural vanadium bronzes

    USGS Publications Warehouse

    Evans, H.T.; Hughes, J.M.

    1990-01-01

    The crystal chemistry of the natural vanadium bronze minerals is reviewed on the basis of published information and new studies (mainly by X-ray powder-diffraction methods) using type material wherever possible. The known V bronze minerals are divided into three categories: 1) the hewettite group, 2) the straczekite group, 3) other structure types including navajoite, schubnelite, fervanite, shcherbinaite, bannermanite, and melanovanadite. All known structures associated with the fibrous V bronzes (fiber spacing 3.6 A??) can be considered as various lateral linkages (into sheets or networks) of only two types of polyvanadate chains: 1) a divanadate chain (V2O6)n consisting of alternating square pyramids, and 2) a tetravanadate chain (V4O12)n consisting of four highly condensed single octahedral chains. -from Authors

  10. Use of laser induced breakdown spectroscopy in the determination of gem provenance: beryls.

    PubMed

    McManus, Catherine E; McMillan, Nancy J; Harmon, Russell S; Whitmore, Robert C; De Lucia, Frank C; Miziolek, Andrzej W

    2008-11-01

    The provenance of gem stones has been of interest to geologists, gemologists, archeologists, and historians for centuries. Laser induced breakdown spectroscopy (LIBS) provides a minimally destructive tool for recording the rich chemical signatures of gem beryls (aquamarine, goshenite, heliodor, and morganite). Broadband LIBS spectra of 39 beryl (Be(3)Al(2)Si(6)O(18)) specimens from 11 pegmatite mines in New Hampshire, Connecticut, and Maine (USA) are used to assess the potential of using principal component analysis of LIBS spectra to determine specimen provenance. Using this technique, beryls from the three beryl-bearing zones in the Palermo #1 pegmatite (New Hampshire) can be recognized. However, the compositional variation within this single mine is comparable to that in beryls from all three states. Thus, a very large database with detailed location metadata will be required to routinely determine gem beryl provenance.

  11. Use of laser induced breakdown spectroscopy in the determination of gem provenance: beryls

    SciTech Connect

    McManus, Catherine E.; McMillan, Nancy J.; Harmon, Russell S.; Whitmore, Robert C.; De Lucia, Frank C. Jr.; Miziolek, Andrzej W

    2008-11-01

    The provenance of gem stones has been of interest to geologists, gemologists, archeologists, and historians for centuries. Laser induced breakdown spectroscopy (LIBS) provides a minimally destructive tool for recording the rich chemical signatures of gem beryls (aquamarine, goshenite, heliodor, and morganite). Broadband LIBS spectra of 39 beryl (Be3Al2Si6O18) specimens from 11 pegmatite mines in New Hampshire, Connecticut, and Maine (USA) are used to assess the potential of using principal component analysis of LIBS spectra to determine specimen provenance. Using this technique, beryls from the three beryl-bearing zones in the Palermo no. 1 pegmatite (New Hampshire) can be recognized. However, the compositional variation within this single mine is comparable to that in beryls from all three states. Thus, a very large database with detailed location metadata will be required to routinely determine gem beryl provenance.

  12. Sliding Wear Response of Beryl Reinforced Aluminum Composite - A Factorial Design Approach

    NASA Astrophysics Data System (ADS)

    Bharat, V.; Durga Prasad, B.; Prabhakar, M. Bhovi; Venkateswarlu, K.

    2016-02-01

    Al-Beryl MMCs were successfully fabricated using powder metallurgy route. Processing conditions such as beryl content and particle size were varied and its influence on dry sliding wear response was studied. Effect of test parameters like applied load and sliding distance on wear performance of Al-Beryl MMCs were discussed detail. Sliding wear tests were conducted using a pin on disc machine based on the 24 (4 factors at 2 levels) factorial design. Analysis of variance (ANOVA) was performed to obtain the contribution of control parameters on wear rate. The present study shows that wear resistance of Al-beryl MMCs not only depends on the beryl content but also influenced by normal load, sliding distance and particle size. The results show that most significant variables affecting wear rate of Al - beryl MMCs are size of the beryl particles (22%), beryl content (19.60%), sliding distance (18.47%), and normal load (10.30%). The interaction effects of these parameters are less significant in influencing wear rate compared to the individual parameters. The correlation between sliding wear and its parameters was obtained by multiple regression analysis. Regression model developed in the present study can be successfully implemented to predict the wear response of Al-Beryl MMCs.

  13. Incipient ferroelectricity of water molecules confined to nano-channels of beryl

    PubMed Central

    Gorshunov, B. P.; Torgashev, V. I.; Zhukova, E. S.; Thomas, V. G.; Belyanchikov, M. A.; Kadlec, C.; Kadlec, F.; Savinov, M.; Ostapchuk, T.; Petzelt, J.; Prokleška, J.; Tomas, P. V.; Pestrjakov, E. V.; Fursenko, D. A.; Shakurov, G. S.; Prokhorov, A. S.; Gorelik, V. S.; Kadyrov, L. S.; Uskov, V. V.; Kremer, R. K.; Dressel, M.

    2016-01-01

    Water is characterized by large molecular electric dipole moments and strong interactions between molecules; however, hydrogen bonds screen the dipole–dipole coupling and suppress the ferroelectric order. The situation changes drastically when water is confined: in this case ordering of the molecular dipoles has been predicted, but never unambiguously detected experimentally. In the present study we place separate H2O molecules in the structural channels of a beryl single crystal so that they are located far enough to prevent hydrogen bonding, but close enough to keep the dipole–dipole interaction, resulting in incipient ferroelectricity in the water molecular subsystem. We observe a ferroelectric soft mode that causes Curie–Weiss behaviour of the static permittivity, which saturates below 10 K due to quantum fluctuations. The ferroelectricity of water molecules may play a key role in the functioning of biological systems and find applications in fuel and memory cells, light emitters and other nanoscale electronic devices. PMID:27687693

  14. Incipient ferroelectricity of water molecules confined to nano-channels of beryl

    NASA Astrophysics Data System (ADS)

    Gorshunov, B. P.; Torgashev, V. I.; Zhukova, E. S.; Thomas, V. G.; Belyanchikov, M. A.; Kadlec, C.; Kadlec, F.; Savinov, M.; Ostapchuk, T.; Petzelt, J.; Prokleška, J.; Tomas, P. V.; Pestrjakov, E. V.; Fursenko, D. A.; Shakurov, G. S.; Prokhorov, A. S.; Gorelik, V. S.; Kadyrov, L. S.; Uskov, V. V.; Kremer, R. K.; Dressel, M.

    2016-09-01

    Water is characterized by large molecular electric dipole moments and strong interactions between molecules; however, hydrogen bonds screen the dipole-dipole coupling and suppress the ferroelectric order. The situation changes drastically when water is confined: in this case ordering of the molecular dipoles has been predicted, but never unambiguously detected experimentally. In the present study we place separate H2O molecules in the structural channels of a beryl single crystal so that they are located far enough to prevent hydrogen bonding, but close enough to keep the dipole-dipole interaction, resulting in incipient ferroelectricity in the water molecular subsystem. We observe a ferroelectric soft mode that causes Curie-Weiss behaviour of the static permittivity, which saturates below 10 K due to quantum fluctuations. The ferroelectricity of water molecules may play a key role in the functioning of biological systems and find applications in fuel and memory cells, light emitters and other nanoscale electronic devices.

  15. Incipient ferroelectricity of water molecules confined to nano-channels of beryl.

    PubMed

    Gorshunov, B P; Torgashev, V I; Zhukova, E S; Thomas, V G; Belyanchikov, M A; Kadlec, C; Kadlec, F; Savinov, M; Ostapchuk, T; Petzelt, J; Prokleška, J; Tomas, P V; Pestrjakov, E V; Fursenko, D A; Shakurov, G S; Prokhorov, A S; Gorelik, V S; Kadyrov, L S; Uskov, V V; Kremer, R K; Dressel, M

    2016-09-30

    Water is characterized by large molecular electric dipole moments and strong interactions between molecules; however, hydrogen bonds screen the dipole-dipole coupling and suppress the ferroelectric order. The situation changes drastically when water is confined: in this case ordering of the molecular dipoles has been predicted, but never unambiguously detected experimentally. In the present study we place separate H2O molecules in the structural channels of a beryl single crystal so that they are located far enough to prevent hydrogen bonding, but close enough to keep the dipole-dipole interaction, resulting in incipient ferroelectricity in the water molecular subsystem. We observe a ferroelectric soft mode that causes Curie-Weiss behaviour of the static permittivity, which saturates below 10 K due to quantum fluctuations. The ferroelectricity of water molecules may play a key role in the functioning of biological systems and find applications in fuel and memory cells, light emitters and other nanoscale electronic devices.

  16. ICP, IR, Raman, NMR investigations of beryls from pegmatites of the Sudety Mts

    NASA Astrophysics Data System (ADS)

    Łodziński, M.; Sitarz, M.; Stec, K.; Kozanecki, M.; Fojud, Z.; Jurga, S.

    2005-06-01

    Detailed ICP, IR, Raman and NMR investigation were performed for more than 50 samples of beryls from pegmatites in the Sudety Mts. MIR spectra were measured at room (293 K), low up to 22 K and high up to 1273 K temperatures. The absorption bands for studied samples of beryl are correlated with chemical composition and structural parameters. The samples represent both alkali-poor (potassium-bearing, sodium-potassium-bearing) and alkali-rich (sodic and sodic-lithian) members of the beryl group. Two types of H 2O molecules are discerned in all studied beryls. The I-type is not connected with alkali with bands at 3697/3690 cm -1, 3647/3630/3610 cm -1 (3606 cm -1 in Raman spectra) and 1602/1550 cm -1 dominates over the II-type (hydrated anions of alkali) with bands at 3660 cm -1, 3592/3590 cm -1 (3597 cm -1 in Raman spectra) and 1637/1630 cm -1. CO 2 molecules (2360 cm -1 in MIR spectra, 1386 cm -1, 1240 cm -1 in Raman spectra) and hydroxyl groups in subordinate quantities occur in structural channels of beryls, except for mentioned above. Main bands in the range of 1200-400 cm -1 are diagnostic in discerning of the three types of beryls according to lattice parameter classification. Studied beryls, in the most cases, belong to normal-type. Some samples are octahedral-type, and do not occur tetrahedral beryls in the Sudety Mts.

  17. Chemical evolution and origin of the Luumäki gem beryl pegmatite: Constraints from mineral trace element chemistry and fractionation modeling

    NASA Astrophysics Data System (ADS)

    Michallik, Radoslaw M.; Wagner, Thomas; Fusswinkel, Tobias; Heinonen, Jussi S.; Heikkilä, Pasi

    2017-03-01

    The 1928 Ma old Luumäki gem beryl pegmatite is hosted by rapakivi granites of the Wiborg batholith in southeast Finland. The moderately evolved niobium-yttrium-fluorine (NYF) pegmatite system belongs to the topaz-beryl type of the rare-element pegmatite class. It has a simple major mineral assemblage of K-feldspar + plagioclase + quartz + biotite ± fluorite throughout the main pegmatite zones (border, wall, intermediate, and core zone). It consists of at least two chemically related bodies (Luumäki N and Luumäki S), of which only Luumäki N contains gem beryl (heliodor) bearing miarolitic pockets. We characterize the geology, mineral assemblages, and the major and trace element chemistry of K-feldspar, plagioclase, biotite and quartz from the pegmatite. The mineral chemistry data show a progressive enrichment of Rb, Cs and Tl in K-feldspars, and depletion in Sr and Ba. The K-feldspar from the beryl-bearing pockets records the highest enrichment in incompatible elements, distinct from the data trend shown by K-feldspar from the main pegmatite zones. The REE data for plagioclase show a decrease of the positive Eu-anomaly and then a change to negative Eu-anomaly in the more evolved inner zones. This demonstrates an increase of the oxidation state of the pegmatite melt over time, consistent with the abundance of hematite in late-stage mineral assemblages including those of the miarolitic pockets. Fractional crystallization modeling is able to replicate the progressive enrichment of incompatible elements in K-feldspar, and to predict degrees of crystallization, which are in good agreement with volume estimates for the different pegmatite zones. The modeling results demonstrate that formation of the zoned pegmatite up to the quartz core can be well explained by an igneous crystallization process, leading up to considerable enrichment in incompatible elements. The melt reached saturation with an aqueous hydrothermal fluid only after more than 90% of the pegmatite melt

  18. Nature of impurities during protein crystallization

    NASA Astrophysics Data System (ADS)

    Baskakova, S. S.; Volkov, V. V.; Laptinskaya, T. V.; Lyasnikova, M. S.; Voloshin, A. E.; Koval'chuk, M. V.

    2017-01-01

    Lysozyme crystal growth was studied using reagents of different purity of three trademarks— Seikagaku Corporation (sixfold recrystallized lysozyme), Sigma-Aldrich (threefold recrystallized lysozyme), and Hampton Research (threefold recrystallized lysozyme). Solutions of these reagents were investigated by small-angle X-ray scattering, dynamic light scattering (DLS), ultracentrifugation, and electrophoresis. It was found that crystal-growth and oligomerization processes are more intense in solutions of the reagent of higher purity. The dependences of the fraction of lysozyme oligomers on the supersaturation and purity of the solution are analyzed.

  19. Crystal structure of natural phaeosphaeride A

    PubMed Central

    Abzianidze, Victoria V.; Poluektova, Ekaterina V.; Bolshakova, Ksenia P.; Panikorovskii, Taras L.; Bogachenkov, Alexander S.; Berestetskiy, Alexander O.

    2015-01-01

    The asymmetric unit of the title compound, C15H23NO5, contains two independent mol­ecules. Phaeosphaeride A contains two primary sections, an alkyl chain consisting of five C atoms and a cyclic system consisting of fused five- and six-membered rings with attached substituents. In the crystal, the mol­ecules form layered structures. Nearly planar sheets, parallel to the (001) plane, form bilayers of two-dimensional hydrogen-bonded networks with the hy­droxy groups located on the inter­ior of the bilayer sheets. The network is constructed primarily of four O—H⋯O hydrogen bonds, which form a zigzag pattern in the (001) plane. The butyl chains inter­digitate with the butyl chains on adjacent sheets. The crystal was twinned by a twofold rotation about the c axis, with refined major–minor occupancy fractions of 0.718 (6):0.282 (6). PMID:26396831

  20. Determination of relative growth rates of natural quartz crystals

    PubMed

    Ihinger; Zink

    2000-04-20

    Although the theory describing crystal growth in the geological environment is well established, there are few quantitative studies that delimit the absolute time involved in the growth of natural crystals. The actual mechanisms responsible for the variation in size and shape of individual crystal faces are, in fact, not well understood. Here we describe a micro-infrared spectroscopic study of a single, gem-quality quartz crystal that allows us to measure the size, shape and relative growth rate of each of the crystal faces that are active throughout its growth history. We demonstrate that the abundances of hydrogen-bearing impurities can serve as 'speedometers' to monitor the growth rate of advancing crystal faces. Our technique can be applied to crystals from a variety of geological environments to determine their growth histories. Within the electronics industry, the technique might facilitate the production of defect-free synthetic crystals required for high-quality resonators and, ultimately, might allow determination of the absolute time involved in geological processes such as the crystallization of magmas, fluid flow in metamorphism and the sealing of open cracks in earthquake rupture zones.

  1. Quantum behavior of water nano-confined in beryl

    NASA Astrophysics Data System (ADS)

    Finkelstein, Y.; Moreh, R.; Shang, S. L.; Wang, Y.; Liu, Z. K.

    2017-03-01

    The proton mean kinetic energy, Ke(H), of water confined in nanocavities of beryl (Be3Al2Si6O18) at 5 K was obtained by simulating the partial vibrational density of states from density functional theory based first-principles calculations. The result, Ke(H) = 104.4 meV, is in remarkable agreement with the 5 K deep inelastic neutron scattering (DINS) measured value of 105 meV. This is in fact the first successful calculation that reproduces an anomalous DINS value regarding Ke(H) in nano-confined water. The calculation indicates that the vibrational states of the proton of the nano-confined water molecule distribute much differently than in ordinary H2O phases, most probably due to coupling with lattice modes of the hosting beryl nano-cage. These findings may be viewed as a promising step towards the resolution of the DINS controversial measurements on other H2O nano-confining systems, e.g., H2O confined in single and double walled carbon nanotubes.

  2. Storage of Nitrogen in the Cyclosilicates Beryl and Cordierite: Nitrogen Cycling, Isotope Fractionation, and Fluid-Rock Interactions

    NASA Astrophysics Data System (ADS)

    Lazzeri, K. E.; Bebout, G. E.; Idleman, B. D.; Geiger, C. A.; Li, L.

    2011-12-01

    The N isotope system shows potential for tracing the transfer of volatiles among Earth's major reservoirs, including the transfer of organic N into solid inorganic phases. This work explores the potential for the storage of N (i.e., N2 and possibly as ammonium) in various microporous minerals (pores or channels), specifically the cyclosilicates beryl and cordierite (see early work on beryl by Scalan, 1958, dissertation, Univ. Arkansas). Isotopic analyses of the N2 residing in these phases could help elucidate fluid-rock interactions, potentially contributing information regarding fluid-mineral fractionation, and provide records of past biological processes (see Palya et al., 2011, Chem. Geol.). We are investigating the N release from beryl crystals of different size separates by using various heating regimes. Samples are first examined petrographically to determine equilibrium mineral assemblages (based on textures of the coexisting phases) and to identify possible mica (or other mineral) inclusions that could contaminate the N analyses. Analyses of one beryl sample from New England, USA, yielded very similar N concentrations and δ15Nair (40 ppm N; +5%) when tested over a wide range of grain sizes (0.25 to 1.00 mm), extraction temperatures (1050-1100°C), and durations of heating (3-5 hours at maximum T), which is consistent with complete extraction of the N2 from the channels of beryl. Shift to higher N and δ15N concentrations, in some analyses, can be attributed to very small amounts of mica as inclusions (observed by SEM) not removed by sieving and hand-picking. Preliminary work on cordierite has concentrated on several samples of iolite (gemstone variety of cordierite)-bearing, chlorite-muscovite schist from Connecticut, USA. For these rock samples, mica-rich matrices contain up to 350 ppm N with δ15Nair near +3.5%, whereas the iolite grains contain little or no measurable N. This contrasts with the observation by Palya et al. (2011) that cordierites in

  3. Gahnite, chrysoberyl and beryl co-occurrence as accessory minerals in a highly evolved peraluminous pluton: The Belvís de Monroy leucogranite (Cáceres, Spain)

    NASA Astrophysics Data System (ADS)

    Merino, E.; Villaseca, C.; Orejana, D.; Jeffries, T.

    2013-10-01

    Gahnite (ZnAl2O4), chrysoberyl (BeAl2O4) and beryl (Be3Al2Si6O18) have been found as accessory minerals in the external, highly fractionated, leucogranitic unit within the Hercynian reversely zoned Belvís de Monroy pluton (westernmost part of the Montes de Toledo batholith, Cáceres, Spain). The highly felsic (SiO2 > 72 wt.%) and peraluminous (ACNK > 1.2) character of this leucogranite, together with the high content of some incompatible elements (F, Li, B, and P), seems to be a primary consequence of fractional crystallization in a magmatic closed-system. The high Be contents and Zn/FeTotal ratio (> 0.01) are relevant factors which have favoured the precipitation of these minerals. Moreover, the Si, Al, P, B, and F activities might be high, favouring the magmatic crystallization of such exotic mineral phases together with Be-rich cordierite, F-rich micas, sillimanite and Al-rich phosphates. In fact, the interplay between the silica and alumina activities likely controls the stabilization and the preferential crystallization of gahnite + chrysoberyl or beryl + chrysoberyl assemblages in mm-sized microdomains. The P-T crystallization conditions are constrained by the muscovite and sillimanite stability fields and the minimum granite Al2O3-saturated solidus, and have been estimated at temperatures between 670 and 700 °C, and pressures between 1 and 2 kbar.

  4. Photochemistry of impurities in nature-identical snow crystals

    NASA Astrophysics Data System (ADS)

    Hullar, T.; Anastasio, C.; Magadia, D.

    2016-12-01

    Snow can be a potent reaction matrix for a variety of chemical reactions. Chemical compounds can integrate into snow crystals during formation, for example by co-deposition with water vapor, or after the crystal is formed, such as by vapor deposition onto the surface of the crystal. As fallen snow crystals consolidate in a snowpack, entrained compounds can remain at the ice-air interface of the snowpack in a quasi-liquid layer (QLL), or be trapped in liquid-like regions (LLRs) at grain boundaries or triple junctions in the ice matrix. Some recent work has suggested some photochemical reactions may proceed faster in surface QLLs than internal LLRs. Also, because many of the important reactions in snow are photochemically driven, the exact nature of the reaction environment must be well-characterized in order to fully understand chemical reactions in snow. Laboratory studies of chemical reactions in snow have attempted to reproduce the physical reaction environment of snow by a variety of methods, including freezing aqueous solutions in molds, spraying aqueous solutions into liquid nitrogen to form ice grains, or grinding solute-containing ices into small pieces. However, snow crystals are quite complex, and none of the current methods for making impurity-containing snow analogs accurately mimic the structure and physical properties of newly-fallen natural snow crystals. In addition to the structural differences between synthetic and natural snows, the location and distribution of chemical impurities in natural snows may not be accurately represented by laboratory-created analogs. Here, we describe our work to incorporate impurities into laboratory-produced nature-identical snow. We built a snow-making machine, modeled on earlier efforts from other groups, which is based on the principle of nucleating supersaturated water vapor to form snow crystals. We incorporate chemicals into/onto the snow crystals either during the formation process or by treating the snow

  5. Structures and isomorphous substitutions in Cs-Mg-beryl and Cs-rich beryllian indialite formed in a flux medium

    NASA Astrophysics Data System (ADS)

    Mikhailov, M. A.; Rozhdestvenskaya, I. V.; Bannova, I. I.

    2012-11-01

    The crystal structures of isostructural compounds — Cs-Mg-beryl (Al1.68Mg0.31Fe0.01)(Be2.68Si0.02Al0.26□0.04)Si6.00O18 · Cs0.07 ( a = 9.2359(9) Å, c = 9.204(1)Å) and the Cs variety of beryllian indialite (Mg1.90Fe0.10)(Be1.02Al1.98)(Al0.30Si5.70)O18 · Na0.02Cs0.16 ( a = 9.598(3) Å, c = 9.284(3) Å) — were refined. These compounds were formed in the Al2Be3Si6O18-Mg,Ca/F,Cl flux system in the presence of cesium chloride. The main structural features of these compounds were determined. It was found that the iso-morphous incorporation of Cs+ cations into anhydrous beryl proceeds according to the simple "vacancy" scheme BeT2 → 2(Cs+) R + □T2, whereas the complex heterovalent substitution 9SiT1 + AlT2 → 9AlT1 + BeT2 + 9(Cs, Na) R is observed in Cs-rich beryllian indialite under anhydrous conditions; i.e., no vacancies are formed in the tetrahedral framework of the latter structure. In Cs-Mg-beryl, an increase in the average bond lengths in the M octahedron and in the interring T2 tetrahedron leads to an increase in the unit-cell parameters a and c. In Cs-rich beryllian indialite, a slight increase in the M-O bond length and a decrease in T2-O bond length cause a slight increase in the parameter a and a decrease in the parameter c. The Cs+ cations are incorporated into the channels of both compounds at the height of the interring M-T2 layer (like K+ cations), whereas the Na+ cation is incorporated inside the Si6O18 ring. The δT1 value suggests that the change in the composition caused by the incorporation of Cs+ cations leads to the incongruent melting of beryllian indialite.

  6. Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia

    NASA Astrophysics Data System (ADS)

    Fridrichová, Jana; Bačík, Peter; Bizovská, Valéria; Libowitzky, Eugen; Škoda, Radek; Uher, Pavel; Ozdín, Daniel; Števko, Martin

    2016-06-01

    Nine beryl samples from Western Carpathians, Slovakia, were investigated by infrared and Raman spectroscopy and differential thermal analysis. Two types of water H2O I and H2O II were detected. Infrared spectroscopy proved the presence of water type I and II in the presence of alkali cations with several bands: (1) symmetric stretching vibration—ν1; (2) antisymmetric stretching mode—ν3; (3) bending vibration—ν2. The presence of singly and doubly coordinated type II water (IIs and IId) was confirmed by single-crystal IR spectroscopy. From Raman spectra a band at 3606 cm-1 was assigned to ν1 of water type I and the range of 3597-3600 cm-1 to water type II. The presence of doubly coordinating water indicates a relatively highly hydrated environment with the presence of alkali ions including Na as the dominant cation coordinated by H2O II. CO2 bands were detected only by single-crystal IR spectroscopy. Thermal analysis proved total water loss in the range of 1.4-2.0 wt% and three main dehydration events. Based on the study of bond-topological arrangements two molecules of H2O IId are each bound with two H···O1 bonds and one Na-OW bond with an angular distortion, and by releasing one H2O molecule more stable H2O IIs is produced. The H2O I molecule is bound only by two equivalent hydrogen bonds. The H2O IIs molecule with a Na-OW bond strength of 0.28 vu and two H···O1 bonds of 0.14 vu without any forced angular distortion is the most stable of all.

  7. Laser-induced breakdown spectroscopy analysis of complex silicate minerals--beryl.

    PubMed

    McMillan, Nancy J; McManus, Catherine E; Harmon, Russell S; De Lucia, Frank C; Miziolek, Andrzej W

    2006-05-01

    Beryl (Be3Al2Si6O18) is a chemically complex and highly compositionally variable gem-forming mineral found in a variety of geologic settings worldwide. A methodology and analytical protocol were developed for the analysis of beryl by laser-induced breakdown spectroscopy (LIBS) that minimizes the coefficient of variance for multiple analyses of the same specimen. The parameters considered were laser energy/pulse, time delay and crystallographic orientation. Optimal analytical conditions are a laser energy/pulse of 102 mJ and a time delay of 2 micros. Beryl compositions measured parallel and perpendicular to the c axis were identical within analytical error. LIBS analysis of 96 beryls from 16 countries (Afghanistan, Brazil, Canada, China, Colombia, India, Ireland, Italy, Madagascar, Mexico, Mozambique, Namibia, Norway, Russia, Tanzania and United States), Antarctica, and ten US states (AZ, CA, CO, CT, ID, ME, NC, NH, NM and UT) were undertaken to determine whether or not LIBS analysis can be used to determine the provenance of gem beryl.

  8. Natural pseudowollastonite: Crystal structure, associated minerals, and geological context

    NASA Astrophysics Data System (ADS)

    Seryotkin, Yurii V.; Sokol, Ella V.; Kokh, Svetlana N.

    2012-03-01

    Pseudowollastonite, an extremely rare constituent of ultrahigh-temperature combustion metamorphic and igneous rocks, has been found as a rock-forming mineral in Ca-rich paralava veins of Nabi Musa fossil mud volcano (Dead Sea area). Pseudowollastonite-bearing paralavas are the products of combustion metamorphism associated with spontaneous burning of methane. The melt began to crystallize at 1480-1500 °C about the ambient pressure. Pseudowollastonite enters two mineral assemblages: (1) rankinite, larnite, nagelschmidtite, wollastonite (1T), gehlenite-rich melilite, Ti-rich andradite, cuspidine, and fluorapatite; (2) parawollastonite (2M), wollastonite (1T), gehlenite-rich melilite, Ti-rich andradite, fluorellestadite. In this study we present the first single-crystal structure determination of natural pseudowollastonite. Pseudowollastonite from Nabi Musa dome is stoichiometric CaSiO3 and belongs to the most widespread four-layer polytype: a = 6.83556(10) Å, b = 11.86962(18) Å, c = 19.6255(3) Å, β = 90.6805(13)°, V = 1592.21(4) Å3, space group C2/c. We argue that pseudowollastonite is so scarce in nature because its formation requires joint action of several uncommon factors: availability of hot melts of T > 1200 °C that bear free calcium but are poor in Mg and Fe (mostly as Fe3 +) and their crystallization in the shallow crust followed by quenching.

  9. Differences in crystal habitus of natural and synthetic colloids

    NASA Astrophysics Data System (ADS)

    Wieczorek, Arkadiusz K.; Händel, Matthias; Totsche, Kai Uwe

    2014-05-01

    The formation of colloids from natural aqueous solutions is influenced by a multitude of biogeochemical and physicochemical processes and the presence of a large diversity of geogen and biogen, inorganic and organic solution phase components. A thereby frequently neglected class of components is the dissolved and colloidal phase organic matter (DOM). As DOM will interact with other solution phase components, we hypothesize that nanosized and colloidal particles formed in DOM bearing solutions may differ from synthetic precipitates either by size, shape, crystal habitus, crystallinity, composition or combinations of that. To investigate this, we analyzed natural colloidal particles collected from a limestone aquifer of the Upper Muschelkalk formation at Hainich National Park, Thuringia, Germany. Major groundwater components are Ca2+, Mg2+, Na+, SO42-, Cl-, HCO3- , and about 1 ppm of total organic carbon (TOC) in dissolved and colloidal form. Synthetic nanoparticles were precipitated from a series of oversaturated solutions containing single or mixtures of the following salts CaSO4, MgSO4, Ca(HCO3)2 NaCl typical for limestone environments. The solutions were produced with both natural groundwater and pure water (milli-Q). Droplets of such produced colloidal suspension were pipetted on silicon wafers and subject to air drying. The wafers were then analyzed by scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDX) and atomic force microscopy (AFM). We found that particles from oversaturated CaSO4 solution in pure water precipitate as large needle shaped crystals, whereas precipitates from CaSO4 solution in natural water were much smaller and showed a rosette like shape - similar in size and shape to gypsum crystals collected from the limestone formation water. Similar differences we found for other aqueous solution compositions. From this pilot study we presume that even minute amounts of dissolved and colloidal phase organic matter in

  10. The dynamic nature of crystal growth in pores

    DOE PAGES

    Godinho, Jose R. A.; Gerke, Kirill M.; Stack, Andrew G.; ...

    2016-09-12

    We report that the kinetics of crystal growth in porous media controls a variety of natural processes such as ore genesis and crystallization induced fracturing that can trigger earthquakes and weathering, as well as, sequestration of CO2 and toxic metals into geological formations. Progress on understanding those processes has been limited by experimental difficulties of dynamically studying the reactive surface area and permeability during pore occlusion. Here, we show that these variables cause a time-dependency of barite growth rates in microporous silica. The rate is approximately constant and similar to that observed on free surfaces if fast flow velocities predominatemore » and if the time-dependent reactive surface area is accounted for. As the narrower flow paths clog, local flow velocities decrease, which causes the progressive slowing of growth rates. We conclude that mineral growth in a microporous media can be estimated based on free surface studies when a) the growth rate is normalized to the time-dependent surface area of the growing crystals, and b) the local flow velocities are above the limit at which growth is transport-limited. Lastly, accounting for the dynamic relation between microstructure, flow velocity and growth rate is shown to be crucial towards understanding and predicting precipitation in porous rocks.« less

  11. The dynamic nature of crystal growth in pores

    SciTech Connect

    Godinho, Jose R. A.; Gerke, Kirill M.; Stack, Andrew G.; Lee, Peter D.

    2016-09-12

    We report that the kinetics of crystal growth in porous media controls a variety of natural processes such as ore genesis and crystallization induced fracturing that can trigger earthquakes and weathering, as well as, sequestration of CO2 and toxic metals into geological formations. Progress on understanding those processes has been limited by experimental difficulties of dynamically studying the reactive surface area and permeability during pore occlusion. Here, we show that these variables cause a time-dependency of barite growth rates in microporous silica. The rate is approximately constant and similar to that observed on free surfaces if fast flow velocities predominate and if the time-dependent reactive surface area is accounted for. As the narrower flow paths clog, local flow velocities decrease, which causes the progressive slowing of growth rates. We conclude that mineral growth in a microporous media can be estimated based on free surface studies when a) the growth rate is normalized to the time-dependent surface area of the growing crystals, and b) the local flow velocities are above the limit at which growth is transport-limited. Lastly, accounting for the dynamic relation between microstructure, flow velocity and growth rate is shown to be crucial towards understanding and predicting precipitation in porous rocks.

  12. The dynamic nature of crystal growth in pores

    NASA Astrophysics Data System (ADS)

    Godinho, Jose R. A.; Gerke, Kirill M.; Stack, Andrew G.; Lee, Peter D.

    2016-09-01

    The kinetics of crystal growth in porous media controls a variety of natural processes such as ore genesis and crystallization induced fracturing that can trigger earthquakes and weathering, as well as, sequestration of CO2 and toxic metals into geological formations. Progress on understanding those processes has been limited by experimental difficulties of dynamically studying the reactive surface area and permeability during pore occlusion. Here, we show that these variables cause a time-dependency of barite growth rates in microporous silica. The rate is approximately constant and similar to that observed on free surfaces if fast flow velocities predominate and if the time-dependent reactive surface area is accounted for. As the narrower flow paths clog, local flow velocities decrease, which causes the progressive slowing of growth rates. We conclude that mineral growth in a microporous media can be estimated based on free surface studies when a) the growth rate is normalized to the time-dependent surface area of the growing crystals, and b) the local flow velocities are above the limit at which growth is transport-limited. Accounting for the dynamic relation between microstructure, flow velocity and growth rate is shown to be crucial towards understanding and predicting precipitation in porous rocks.

  13. The dynamic nature of crystal growth in pores

    PubMed Central

    Godinho, Jose R. A.; Gerke, Kirill M.; Stack, Andrew G.; Lee, Peter D.

    2016-01-01

    The kinetics of crystal growth in porous media controls a variety of natural processes such as ore genesis and crystallization induced fracturing that can trigger earthquakes and weathering, as well as, sequestration of CO2 and toxic metals into geological formations. Progress on understanding those processes has been limited by experimental difficulties of dynamically studying the reactive surface area and permeability during pore occlusion. Here, we show that these variables cause a time-dependency of barite growth rates in microporous silica. The rate is approximately constant and similar to that observed on free surfaces if fast flow velocities predominate and if the time-dependent reactive surface area is accounted for. As the narrower flow paths clog, local flow velocities decrease, which causes the progressive slowing of growth rates. We conclude that mineral growth in a microporous media can be estimated based on free surface studies when a) the growth rate is normalized to the time-dependent surface area of the growing crystals, and b) the local flow velocities are above the limit at which growth is transport-limited. Accounting for the dynamic relation between microstructure, flow velocity and growth rate is shown to be crucial towards understanding and predicting precipitation in porous rocks. PMID:27615371

  14. Imaging in natural light with nematic liquid crystals (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    Galstian, Tigran V.

    2015-10-01

    Nametic liquid crystals (NLC) are most commonly used liquid crystal (LC) materials in various light modulators [1], displays [2] and lenses [3]. However those materials have a fundamental limitation: they are polarization sensitive since the refractive index modulation here is achieved by the electric field induced reorientation of their local anisotropy axis. Thus, the standard imaging optical systems (used in consumer electronic products and dealing with natural light sources [4]) have to use double NLC structures in a cross oriented way and in rather requiring geometrical conditions. We describe a simple but very efficient optical device that allows the dynamic focusing of unpolarized light using a single NLC layer. The operation principle of the proposed device is based on the combination of an electrically variable "single layer lens" with two fixed optical elements for light reflection and 90° polarization flip. Such an approach is made possible thanks to the close integration of thin film wave plate and mirror. Preliminary experimental studies of the obtained electrically variable mirror show very promising results. Several standard camera geometries, using the double layer approach, and possible new geometries, using the reflective approach, will be described. References 1. Gordon D. Love, Wave-front correction and production of Zernike modes with a liquid-crystal spatial light modulator, Applied Optics, Vol. 36, Issue 7, pp. 1517-1524 (1997). 2. P. Yeh and C. Gu, Optics of Liquid Crystal Displays, Wiley, 1999. 3. T. Galstian, Smart Mini-Cameras, CRC Press, Taylor and Francis group, 2013. 4. www.lensvector.com

  15. Tropical Storm Beryl as Observed by NASA Spaceborne Atmospheric Infrared Sounder AIRS

    NASA Image and Video Library

    2006-07-20

    This is an AIRS infrared image of Tropical Storm Beryl in the western Atlantic, from the NASA Aqua satellite on July 20, 2006, 1:30 am local time. The image shows the temperature of the cloud tops or the surface of the Earth in cloud-free regions.

  16. Reservoir characterization of lacustrine sediments from the Late Triassic, Beryl Field, UK North Sea

    SciTech Connect

    Bond, J.; Welton, J.E.

    1996-12-31

    Located on the western flank of the Viking Graben, the Beryl Field has been producing from the Late Triassic Lewis reservoir since first oil in 1976. The Beryl A Triassic contains an estimated STOIIP of 256 mmstb, with a cumulative production of 31 mmstb (8/95) (12% recovery). Low recovery to date, coupled with high remaining reserves potential, necessitated a new simulation model and optimized development program for the Lewis reservoir. This paper summarizes the revised reservoir description of the Beryl A Triassic, a complex lacustrine and fluvial system, and its integration with the reservoir simulation. The Triassic reservoir is subdivided into four zones: Lewis Units I, II, III and IV. Six lithofacies associations are identified in core: offshore lacustrine, lacustrine sandflat, marginal lacustrine, floodplain, sheetflood/overbank, and fluvial. Detailed petrological studies were conducted which confirmed that both depositional and diagenetic processes influenced reservoir properties and quality. Optimal reservoir quality is preserved in fluvial and lacustrine sandflat deposits. Argillaceous floodplain and lacustrine facies are non-reservoir and form barriers to vertical fluid migration. Calcrete lags (concentrated at the base of fluvial channels) and carbonate paleosols form baffles to flow. Fieldwide correlation of core and log facies resulted in the identification of 27 genetic flow-units. This geologically-based layering scheme was integrated with production data to generate the framework for vertical zonation for the new reservoir simulation. The simulation studies produced as accelerated development program for the Beryl A Triassic. Reserves have increased as result of optimizing secondary recovery.

  17. Reservoir characterization of lacustrine sediments from the Late Triassic, Beryl Field, UK North Sea

    SciTech Connect

    Bond, J. ); Welton, J.E. )

    1996-01-01

    Located on the western flank of the Viking Graben, the Beryl Field has been producing from the Late Triassic Lewis reservoir since first oil in 1976. The Beryl A Triassic contains an estimated STOIIP of 256 mmstb, with a cumulative production of 31 mmstb (8/95) (12% recovery). Low recovery to date, coupled with high remaining reserves potential, necessitated a new simulation model and optimized development program for the Lewis reservoir. This paper summarizes the revised reservoir description of the Beryl A Triassic, a complex lacustrine and fluvial system, and its integration with the reservoir simulation. The Triassic reservoir is subdivided into four zones: Lewis Units I, II, III and IV. Six lithofacies associations are identified in core: offshore lacustrine, lacustrine sandflat, marginal lacustrine, floodplain, sheetflood/overbank, and fluvial. Detailed petrological studies were conducted which confirmed that both depositional and diagenetic processes influenced reservoir properties and quality. Optimal reservoir quality is preserved in fluvial and lacustrine sandflat deposits. Argillaceous floodplain and lacustrine facies are non-reservoir and form barriers to vertical fluid migration. Calcrete lags (concentrated at the base of fluvial channels) and carbonate paleosols form baffles to flow. Fieldwide correlation of core and log facies resulted in the identification of 27 genetic flow-units. This geologically-based layering scheme was integrated with production data to generate the framework for vertical zonation for the new reservoir simulation. The simulation studies produced as accelerated development program for the Beryl A Triassic. Reserves have increased as result of optimizing secondary recovery.

  18. Crystal chemistry of natural and synthetic trioctahedral micas: Exploring the limits of geometric crystal chemical models

    NASA Astrophysics Data System (ADS)

    Mercier, Patrick H. J.

    Seventy-five synthetic powder trioctahedral mica samples (between Mg, Co, Ni, and Fe end members, with different degrees of oxidation, vacancy and Al/Si contents, and including an OH/F substitution series) were studied by room-temperature powder X-ray diffraction. The iron-bearing samples were studied by 57Fe Mossbauer spectroscopy. Subsets of the samples were also characterized by scanning electron microscopy combined with energy dispersive spectroscopy, optical microscopy, X-ray fluorescence spectroscopy, and gas chromatography. Lattice parameters (refined under the 1M stacking polytype, space group C2/m) were determined for all powder samples and iron site populations ([4]Fe 3+, [6]Fe2+, and [6]Fe 2+) were obtained from Mossbauer spectroscopy. The relation (c/a)cosbeta* = 113 was found to hold exactly (within experimental error) for all synthetic powders whereas it does not hold in general for synthetic and natural 1M single-crystals. The above relation is predicted to hold for geometric home-octahedral sheets (having equal M1 and M2 site bond lengths) and not to hold for geometric meso-octahedral sheets (having unequal M1 and M2 site bond lengths). The counter-rotation of the M2 site of 1M single-crystals exactly (within experimental error) follows the geometric meso-octahedral sheet model, which, assuming a uniform octahedral sheet height and site-specific M1 and M2 bond lengths, predicts site-specific flattening angles and a counter-rotation angle for the M2 site which is uniquely determined by the bond length difference between the M1 and M2 sites. A geometric meso-octahedral 2:1 layer silicate was shown to require corrugated tetrahedral sheets composed of bond-distorted tetrahedra. Key geometric meso-octahedral distortions in 1M single-crystals were identified and elucidated: (i) intra-layer top-bottom displacements within a TOT layer; and (ii) a tetrahedral bending angle between the apical bond and the pyramidal base formed by the three basal bonds. Plots

  19. Calcium self-diffusion in natural diopside single crystals

    NASA Astrophysics Data System (ADS)

    Dimanov, Alexandre; Jaoul, Olivier; Sautter, Violaine

    1996-11-01

    We have measured the diffusion coefficient of 44Ca along and perpendicular to c direction in natural Fe-bearing (˜2 at.%) diopside single crystals. Specimens were annealed at temperatures ranging from 1000 to 1250°C, with controlled oxygen fugacity. Diffusion profiles were analysed by Rutherford Back-Scattering Spectrometry (RBS) of α-particles. The diffusion of Ca is isotropic along c and b directions. In addition, the results clearly show two distinct diffusional regimes for the natural diopside, revealed by silica precipitates occurrence in the diopside matrix when T ≥ 1150°C. In this case the oxygen partial pressure pO 2 does not influence the self-diffusion coefficient which is characterized by the activation energy E = 396 ± 38 kJ/mol. For T ≤ 1100°C the diffusional process has a lower activation energy ( E = 264 ± 33 kJ/mol) and varies as ( pO 2) -0.14±0.01 in the investigated range (from 10 -16 atm to 10 -6 atm). These results are consistent with previously reported results on electrical conductivity (Huebner and Voigt, 1988) and high temperature plastic deformation of natural diopside single crystals (Jaoul and Raterron, 1994). According to the point defects model, elaborated by Jaoul and Raterron (1994), the diffusional mechanism of Ca should be essentially interstitial. Furthermore, this mechanism should be the same for different diopside samples with iron content ranging from 0.4 to 2.42 at.%. Indeed, for Ca diffusion in synthetic diopside (0.4 at.% Fe) the activation enthalpy is very similar (281 ± 26 kJ/mol, Dimanov and Ingrin, 1995). On the other hand, the Fe content indoubtly influences the preexponential factor. The present paper reports Ca self-diffusion in diopside as a function of T, pO 2 crystallographic orientation, and Fe content. In fact, among all diffusion coefficients previously reported in diopside, but Si, DCa is the lowest. Thereby, Ca should be a kinetically limiting species for diffusion-controlled processes such as

  20. Reconnaissance of beryl-bearing pegmatites in the Ruby Mountains, other areas in Nevada, and northwestern Mohave County, Arizona

    USGS Publications Warehouse

    Olson, Jerry Chipman; Hinrichs, E. Neal

    1957-01-01

    The scheelite-beryl deposits at Oreana and in Humboldt Canyon, Pershing County., are rich in beryllium.  Twelve samples from the Humboldt Canyon (Lakeview) deposit range from 0.018 to 0.11 percent BeO, but underground crosscuts have failed to intersect similar rock at depth. Beryl locally constitutes as much as 10 percent of the pegmati tic ore at Oreana. &nbs

  1. Morphological characteristics of monosodium urate: a transmission electron microscopic study of intact natural and synthetic crystals.

    PubMed Central

    Paul, H; Reginato, A J; Schumacher, H R

    1983-01-01

    Transmission electron microscopic studies of synthetic and natural monosodium urate crystals dried on formvar coated grids showed identical internal structures in all crystals. At higher magnification the crystals' surface showed angular or wavy irregularities, and more rarely some crystals appeared to have other tiny crystals on the surface. Protein-like surface coating was not observed except in crystals from one asymptomatic patient in whom synovial fluid was loaded with monosodium urate crystals, but no inflammatory cells were present. Heated synthetic monosodium urate crystals retained the ultrastructural characteristics in their interior but they lost their needle or rod-like shape. Transmission electron microscopic study of monosodium urate crystals dried on formvar coated grids provides a quick method of investigating crystal ultrastructure. Images PMID:6830327

  2. Morphological characteristics of monosodium urate: a transmission electron microscopic study of intact natural and synthetic crystals.

    PubMed

    Paul, H; Reginato, A J; Schumacher, H R

    1983-02-01

    Transmission electron microscopic studies of synthetic and natural monosodium urate crystals dried on formvar coated grids showed identical internal structures in all crystals. At higher magnification the crystals' surface showed angular or wavy irregularities, and more rarely some crystals appeared to have other tiny crystals on the surface. Protein-like surface coating was not observed except in crystals from one asymptomatic patient in whom synovial fluid was loaded with monosodium urate crystals, but no inflammatory cells were present. Heated synthetic monosodium urate crystals retained the ultrastructural characteristics in their interior but they lost their needle or rod-like shape. Transmission electron microscopic study of monosodium urate crystals dried on formvar coated grids provides a quick method of investigating crystal ultrastructure.

  3. Crystal structure of a new natural Mn, W-Tantaloniobate

    SciTech Connect

    Yamnova, N.A.; Pushcharovskii, D.Yu; Voloshin, A.V.

    1995-05-01

    The crystal structure of a new natural Mn, W-tantaloniobate (Mn{sup 2+}{sub 1.76}Mn{sup 3+}{sub 0.1}Fe{sup 2+}{sub 0.1}{open_square}0.14)Nb{sub 0.8}Mn{sup 2+}{sub 0.2}{sub 2}(Nb{sub 2.0}Ta{sub 0.65}W{sub 0.1}{open_square}{sub 0.25})(W{sub 1.71}Ti{sub 0.09}{open_square}{sub 0.20})O{sub 20} discovered in the granite pegmatites of Southwestern Pamir was determined (Syntex P1 automated diffractometer; 20/0 scan; 1041 reflections; and R=0.054). Parameters of the monoclinic unit cell are: a=24.73(2){angstrom}, b=5.056(3){angstrom}, and c=5.760(3){angstrom}; {beta}=103.50(7){degrees}; V=700.5(9){angstrom}{sup 3}; sp. gr. P2{sub 1}, Z=2; and d{sub calc}=6.11 g/cm{sup 3}. The basic units of the structure are blocks of the {alpha}-PbO{sub 2} type that are formed of zigzag octahedral columns with Mn, Nb, and the columns formed by W triognal prisms. A comparative crystal-chemical analysis of the structures of a number of complex oxides of the {alpha}-PbO{sub 2} type was performed. 9 refs., 2 fig., 3 tab.

  4. Naturally produced crystals obtained from kidney stones are less injurious to renal tubular epithelial cells than synthetic crystals.

    PubMed

    Escobar, Carla; Byer, Karen J; Khan, Saeed R

    2007-10-01

    To determine the differences in cell responses to synthetic and biological crystals of calcium oxalate (CaOx) and brushite Nephrolithiasis depends on crystal retention within the kidneys, often promoted by crystal attachment to the injured renal epithelium; studies often use various crystals that might be injurious to cells and cause the exposure of crystal binding molecules on cell surfaces, thus promoting crystal attachment and retention. The synthetic crystals used in these studies might be more injurious than the biological crystals naturally produced in the kidneys and that form kidney stones. We exposed the renal epithelial cell line NRK 52E in vitro to CaOx or brushite crystals at 67 or 133 microg/cm(2) for 3 or 6 h. Synthetic crystals were purchased and the biocrystals were obtained by pulverizing CaOx and brushite stones. We determined the release of lactate dehydrogenase (LDH), hydrogen peroxide (H(2)O(2)) and 8-isoprostane (8-IP), and monocyte chemoattractant protein-1 (MCP-1), as markers of injury, oxidative stress and inflammation, respectively. Cells were also examined after trypan blue staining to determine their membrane integrity. We also examined crystals of CaOx by scanning electron microscopy both in the native state as well as after decalcification. Exposure to both the synthetic and biological crystals resulted in a significant increase in LDH release and trypan blue staining, as a sign of crystal-induced injury. There was increased production of H(2)O(2) and 8-IP, suggesting the development of oxidative stress. In addition MCP-1 production was also significantly increased. However, the synthetic crystals caused significantly higher increases in all the indicators than the biological crystals. These results indicate that even though both synthetic and naturally produced biocrystals invoke a response from the renal epithelial cells, the latter are significantly less injurious and inflammatory. Exposure to low concentrations of these crystals

  5. A view inside the nature of protein crystals

    NASA Astrophysics Data System (ADS)

    Oswald, R.; Pietzsch, M.; Ulrich, J.

    2017-07-01

    In this work a fundamental analysis of protein crystal modifications was presented to compare and confirm the components of protein crystal modifications. The result is that a protein crystal contains besides the protein, the precipitant and water. A mass spectrometer coupled to a thermogravimetry device was used to confirm the different waters (free water -the chosen buffer- and bound water) inside the crystals. Here the biggest amount of water is the free water (the buffer) with an amount of approximately 35%. The bound water (in the sense of a hydrate) has only an amount of about 1-1.5%. Furthermore, an x-ray analysis to confirm the influence range of pH value on the stability of one crystal modification for the understanding of effects on dissolution mechanism of protein crystals was investigated. The crystals of the tetragonal modification crystallized at pH 4.7, 4.85, 5.0, 5.15 and 5.3 maintain according to the x-ray measurements the same lattice parameters. The measured data are discussed.

  6. Ground-water data for the Beryl-Enterprise area, Escalante Desert, Utah

    USGS Publications Warehouse

    Mower, R.W.

    1981-01-01

    This report contains a compilation of selected ground-water data for the Beryl-Enterprise area, Iron and Washington Counties, Utah. The records of the wells include such information as driller 's logs, yield, drawdown, use, and temperature of the well water. There are also records of water levels in selected wells for the period 1973-79, chemical analyses of ground water, records of selected springs, and a tabulation of ground-water withdrawals for 1937-78. (USGS)

  7. Crystal structure of complex natural aluminum magnesium calcium iron oxide

    SciTech Connect

    Rastsvetaeva, R. K. Aksenov, S. M.; Verin, I. A.

    2010-07-15

    The structure of a new natural oxide found near the Tashelga River (Eastern Siberia) was studied by X-ray diffraction. The pseudo-orthorhombic unit cell parameters are a = 5.6973(1) A, b = 17.1823(4) A, c = 23.5718(5) A, {beta} = 90{sup o}, sp. gr. Pc. The structure was refined to R = 0.0516 based on 4773 reflections with vertical bar F vertical bar > 7{sigma}(F) taking into account the twin plane perpendicular to the z axis (the twin components are 0.47 and 0.53). The crystal-chemical formula (Z = 4) is Ca{sub 2}Mg{sub 2}{sup IV}Fe{sub 2}{sup (2+)IV}[Al{sub 14}{sup VI}O{sub 31}(OH)][Al{sub 2}{sup IV}O][Al{sup IV}]AL{sup IV}(OH)], where the Roman numerals designate the coordination of the atoms. The structure of the mineral is based on wide ribbons of edge-sharing Al octahedra (an integral part of the spinel layer). The ribbons run along the shortest x axis and are inclined to the y and z axes. The adjacent ribbons are shifted with respect to each other along the y axis, resulting in the formation of step-like layers in which the two-ribbon thickness alternates with the three-ribbon thickness. Additional Al octahedra and Mg and Fe{sup 2+} tetrahedra are located between the ribbons. The layers are linked together to form a three-dimensional framework by Al tetrahedra, Ca polyhedra, and hydrogen bonds with the participation of OH groups.

  8. Minerals from Macedonia XXIII. Spectroscopic and structural characterization of schorl and beryl cyclosilicates.

    PubMed

    Makreski, Petre; Jovanovski, Gligor

    2009-08-01

    IR and Raman spectroscopy study on two collected cyclosilicate species: schorl (from tourmaline group), Na(Fe,Mg)(3)Al(6)(BO(3))(3)Si(6)O(18)(OH,F)(4) and beryl (Be,Mg,Fe)(3)Al(2)Si(6)O(18) were carried out. Although beryl is nominally anhydrous mineral, vibrational results strongly indicate that H(2)O molecules exist in the structural channels. The number of vibrational bands and their frequencies revealed the presence of H(2)O type II, in which C(2) symmetry axis of the water molecule is parallel to the structural channel (and to the c-axis of beryl). On the other hand, it was found that observed bands in the IR and Raman OH stretching region of the other tourmaline varieties appear as a result of the cation combinations involving dominant presence of Mg and Fe cations in the Y structural sites. The strong indication derived from the vibrational spectroscopic results that the studied mineral represents a schorl variety, coincide very well with the results obtained by powder X-ray diffraction and X-ray microprobe analysis. Both minerals show IR spectral similarities in the region below 1500 cm(-1), whereas the resemblance between the Raman spectra (1500-100 cm(-1)) is less expressed confirming that these spectra are more sensitive to compositional changes and to structural disorder. The identification of both minerals was additionally supported by studying the powder X-ray diffraction diagrams.

  9. Lung function, biological monitoring, and biological effect monitoring of gemstone cutters exposed to beryls.

    PubMed

    Wegner, R; Heinrich-Ramm, R; Nowak, D; Olma, K; Poschadel, B; Szadkowski, D

    2000-02-01

    Gemstone cutters are potentially exposed to various carcinogenic and fibrogenic metals such as chromium, nickel, aluminium, and beryllium, as well as to lead. Increased beryllium concentrations had been reported in the air of workplaces of beryl cutters in Idar-Oberstein, Germany. The aim of the survey was to study the excretion of beryllium in cutters and grinders with occupational exposure to beryls--for example, aquamarines and emeralds--to examine the prevalence of beryllium sensitisation with the beryllium lymphocyte transformation test (BeLT), to examine the prevalence of lung disease induced by beryllium, to describe the internal load of the respective metals relative to work process, and to screen for genotoxic effects in this particular profession. In a cross sectional investigation, 57 out of 100 gemstone cutters working in 12 factories in Idar-Oberstein with occupational exposure to beryls underwent medical examinations, a chest radiograph, lung function testing (spirometry, airway resistance with the interrupter technique), and biological monitoring, including measurements of aluminium, chromium, and nickel in urine as well as lead in blood. Beryllium in urine was measured with a newly developed direct electrothermal atomic absorption spectroscopy technique with a measurement limit of 0.06 microgram/l. Also, cytogenetic tests (rates of micronuclei and sister chromatid exchange), and a BeLT were performed. Airborne concentrations of beryllium were measured in three factories. As no adequate local control group was available, the cutters were categorised into those with an exposure to beryls of > 4 hours/week (group A) and < or = 4 hours/week (group B). Clinical, radiological, or spirometric abnormalities indicating pneumoconiosis were detected in none of the gemstone cutters. Metal concentrations in biological material were far below the respective biological limit values, and beryllium in urine was only measurable in subjects of group A. Cytogenetic

  10. A naturally grown three-dimensional nonlinear photonic crystal

    SciTech Connect

    Xu, Tianxiang; Lu, Dazhi; Yu, Haohai Zhang, Huaijin Wang, Jiyang; Zhang, Yong

    2016-02-01

    Nonlinear frequency conversion via three-dimensional (3D) quasi-phase matching (QPM) process is experimentally realized based on a Ba{sub 0.77}Ca{sub 0.23}TiO{sub 3} (BCT) crystal. The ferroelectric domains in BCT crystal are observed, and the results reveal that the antiparallel domains distribute in three dimensions and can provide 3D reciprocal lattice vectors for QPM processes. Broadband petal-like second-harmonic patterns are achieved, which are well consistent with the theoretical quasi-cubic model of 3D nonlinear photonic crystals. Our work not only promotes the development of QPM technique but also builds a platform for 3D nonlinear optics and quantum optics.

  11. Dimensions and aspect ratios of natural ice crystals

    NASA Astrophysics Data System (ADS)

    Um, J.; McFarquhar, G. M.; Hong, Y. P.; Lee, S.-S.; Jung, C. H.; Lawson, R. P.; Mo, Q.

    2015-04-01

    During the 2006 Tropical Warm Pool International Cloud Experiment (TWP-ICE) in the tropics, the 2008 Indirect and Semi-Direct Aerosol Campaign (ISDAC) in the Arctic, and the 2010 Small PARTicles In CirrUS (SPARTICUS) campaign at mid-latitudes, high-resolution images of ice crystals were recorded by a Cloud Particle Imager at temperatures (T) between -87 and 0 °C. The projected maximum dimension (D'), length (L'), and width (W') of pristine columns, plates, and component bullets of bullet rosettes were measured using newly developed software, the Ice Crystal Ruler. The number of bullets in each bullet rosette was also measured. Column crystals were further distinguished as either horizontally oriented columns or columns with other orientations to eliminate any orientation effect on the measured dimensions. The dimensions and aspect ratios (AR, the dimension of the major axis divided by the dimension of the minor axis) of crystals were determined as functions of temperature, geophysical location, and type of cirrus. Dimensions of crystals generally increased with temperature. Columns and bullets had larger dimensions (i.e., W') of the minor axis (i.e., a axis) for a given dimension (i.e., D' orL') of the major axis (i.e., c axis), and thus smaller AR, as T increased, whereas this trend did not occur for plate crystals. The average number of branches in bullet rosettes was 5.50 ± 1.35 during three campaigns and 6.32 ± 1.34 (5.46 ± 1.34; 4.95 ± 1.01) during TWP-ICE (SPARTICUS; ISDAC). The AR of bullets increased with the number of branches in bullet rosettes. Most dimensions of crystals and ARs of columnar crystals measured during SPARTICUS were larger than those measured during TWP-ICE and ISDAC at -67 < T < -35 °C and at -40 < T < -15 °C, respectively. The relative occurrence of varying pristine habits depended strongly on cirrus type (i.e., anvil or non-anvil clouds), with plates especially occurring more frequently in anvils. The L-W relationships of columns

  12. Dimensions and aspect ratios of natural ice crystals

    NASA Astrophysics Data System (ADS)

    Um, J.; McFarquhar, G. M.; Hong, Y. P.; Lee, S.-S.; Jung, C. H.; Lawson, R. P.; Mo, Q.

    2014-12-01

    During the 2006 Tropical Warm Pool International Cloud Experiment (TWP-ICE) in the Tropics, the 2008 Indirect and Semi-Direct Aerosol Campaign (ISDAC) in the Arctic, and the 2010 Small PARTicles In CirrUS (SPARTICUS) campaign in mid-latitudes, high-resolution images of ice crystals were recorded by a Cloud Particle Imager at temperatures (T) between -87 and 0 °C. The projected maximum dimension (D'), length (L'), and width (W') of pristine columns, plates, and component bullets of bullet rosettes were measured using newly developed software, the Ice Crystal Ruler. The number of bullets in each bullet rosette was also measured. Column crystals were further distinguished as either horizontally oriented columns or columns with other orientations to eliminate any orientation effect on the measured dimensions. Dimensions and aspect ratios (AR, dimension of major axis divided by dimension of minor axis) of crystals were determined as functions of temperature, geophysical location, and type of cirrus. Dimensions of crystals generally increased as temperature increased. Columns and bullets had larger dimensions (i.e., W') of the minor axis (i.e., a axis) for a given dimension (i.e., D' or L') of the major axis (i.e., c axis), and thus smaller AR, as T increased, whereas this trend did not occur for plate crystals. The average number of branches in bullet rosettes was 5.50±1.35 during three campaigns and 6.32±1.34 (5.46±1.34; 4.95±1.01) during TWP-ICE (SPARTICUS; ISDAC). The AR of bullets increased with the number of branches in bullet rosettes. Most dimensions of crystals and ARs of columnar crystals measured during SPARTICUS were larger than those measured during TWP-ICE and ISDAC at -67 < T < -35 °C and at -40 < T < -15 °C, respectively. The relative occurrence of varying pristine habits depended strongly on cirrus type (i.e., anvil or non-anvil clouds), with plates especially occurring more frequently in anvils. The L-W relationships of columns derived using

  13. Dimensions and aspect ratios of natural ice crystals

    DOE PAGES

    Um, J.; McFarquhar, G. M.; Hong, Y. P.; ...

    2015-04-15

    During the 2006 Tropical Warm Pool International Cloud Experiment (TWP-ICE) in the tropics, the 2008 Indirect and Semi-Direct Aerosol Campaign (ISDAC) in the Arctic, and the 2010 Small PARTicles In CirrUS (SPARTICUS) campaign at mid-latitudes, high-resolution images of ice crystals were recorded by a Cloud Particle Imager at temperatures (T) between -87 and 0 °C. The projected maximum dimension (D'), length (L'), and width (W') of pristine columns, plates, and component bullets of bullet rosettes were measured using newly developed software, the Ice Crystal Ruler. The number of bullets in each bullet rosette was also measured. Column crystals were furthermore » distinguished as either horizontally oriented columns or columns with other orientations to eliminate any orientation effect on the measured dimensions. The dimensions and aspect ratios (AR, the dimension of the major axis divided by the dimension of the minor axis) of crystals were determined as functions of temperature, geophysical location, and type of cirrus. Dimensions of crystals generally increased with temperature. Columns and bullets had larger dimensions (i.e., W') of the minor axis (i.e., a axis) for a given dimension (i.e., D' orL') of the major axis (i.e., c axis), and thus smaller AR, as T increased, whereas this trend did not occur for plate crystals. The average number of branches in bullet rosettes was 5.50 ± 1.35 during three campaigns and 6.32 ± 1.34 (5.46 ± 1.34; 4.95 ± 1.01) during TWP-ICE (SPARTICUS; ISDAC). The AR of bullets increased with the number of branches in bullet rosettes. Most dimensions of crystals and ARs of columnar crystals measured during SPARTICUS were larger than those measured during TWP-ICE and ISDAC at −67 < T < -35 °C and at −40 < T < −15 °C, respectively. The relative occurrence of varying pristine habits depended strongly on cirrus type (i.e., anvil or non-anvil clouds), with plates especially occurring more frequently in anvils. The L

  14. Transient natural convection heat and mass transfer in crystal growth

    NASA Technical Reports Server (NTRS)

    Han, Samuel S.

    1990-01-01

    A numerical analysis of transient combined heat and mass transfer across a rectangular cavity is performed. The physical parameters are selected to represent a range of possible crystal growth in solutions. Good agreements with measurement data are observed. It is found that the thermal and solute fields become highly oscillatory when the thermal and solute Grashof numbers are large.

  15. Natural Cr3+-rich ettringite: occurrence, properties, and crystal structure

    NASA Astrophysics Data System (ADS)

    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.

  16. Inducing uniform single-crystal like orientation in natural rubber with constrained uniaxial stretch.

    PubMed

    Zhou, Weiming; Meng, Lingpu; Lu, Jie; Wang, Zhen; Zhang, Wenhua; Huang, Ningdong; Chen, Liang; Li, Liangbin

    2015-07-07

    The effect of flow on crystallization is commonly attributed to entropic reduction, which is caused by stretch and orientation of polymer chains but overlooks the role of flow on final-state free energy. With the aid of in situ synchrotron radiation wide-angle X-ray diffraction (WAXD) and a homemade constrained uniaxial tensile testing machine, polycrystals possessing single-crystal-like orientation rather than uniaxial orientation are found during the constrained stretch of natural rubber, whereas the c-axis and a-axis align in the stretch direction (SD) and constrained direction (CD), respectively. Molecular dynamics simulation shows that aligning the a-axis of crystal nuclei in CD leads to the lowest free energy increase and favors crystal nucleation. This indicates that the nomenclature of strain-induced crystallization may not fully account for the nature of flow-induced crystallization (FIC) as strain mainly emphasizes the entropic reduction of initial melt, whereas stress rather than strain plays the dominant role in crystal deformation. The current work not only contributes to a comprehensive understanding of the mechanism of flow-induced crystallization but also demonstrates the potential application of constrained uniaxial tensile stretch for the creation of functional materials containing polycrystals that possess single-crystal-like orientation.

  17. Electrolytic coloration and spectral properties of natural fluorite crystals containing oxygen impurities.

    PubMed

    Gu, Hongen; Ma, Dongliang; Chen, Weiwei; Zhu, Rui; Li, Yutong; Li, Yang

    2011-11-01

    Natural fluorite crystals containing oxygen impurities are colored electrolytically by using a pointed cathode and a flat anode at various temperatures and voltages. F and F(2) color centers are produced in colored fluorite crystals. O(2-)-V(a)(+), O(2-)-V(a)(+) aggregate, Yb(2+), Ce(3+) and Sm(2+) absorption bands are observed in absorption spectra of uncolored fluorite crystals. O(2-)-V(a)(+), O(2-)-V(a)(+) aggregate, Yb(2+), Ce(3+), Sm(2+), F, M (F(2)) absorption bands and group of four absorption bands are observed simultaneously in absorption spectra of colored fluorite crystals. Current-time curve for electrolytic coloration of natural fluorite crystal and its relationship with electrolytic coloration process are given. Production and conversion of color centers are explained.

  18. Hydrology of the Beryl-Enterprise area, Escalante Desert, Utah, with emphasis on ground water; With a section on surface water

    USGS Publications Warehouse

    Mower, Reed W.; Sandberg, George Woodard

    1982-01-01

    An investigation of the water resources of the Beryl-Enterprise area, Escalante Desert, Utah (pl. 1), was made during 1976-78 as part of a cooperative program with the Utah Department of Natural Resources, Division of Water Rights. Wells were the most important source of water for all purposes in the Beryl-Enterprise area during 1978, but it has not always been so. For nearly a century after the first settlers arrived in about 1860, streams supplied most of the irrigation water and springs supplied much of the water for domestic and stock use. A few shallow wells were dug by the early settlers for domestic and stock water, but the widespread use of ground water did not start until the 1920's when shallow wells were first dug to supply irrigation water. Ground-water withdrawals from wells, principally for irrigation, have increased nearly every year since the 1920's. The quantity withdrawn from wells surpassed that diverted from surface sources during the mid-1940's and was about eight times that amount during the 1970's. As a result, water levels have declined measurably throughout the area resulting in administrative water-rights problems.The primary purpose of this report is to describe the water resources with emphasis on ground water. The surface-water resources are evaluated only as they pertain to the understanding of the ground-water resources. A secondary purpose is to discuss the extent and effects of the development of ground water in order to provide the hydrologic information needed for the orderly and optimum development of the resource and for the effective administration and adjudication of water rights in the area. The hydrologic data on which this report is based are given in a companion report by Mower (1981).

  19. Quantum Tunneling of Water in Beryl. A New State of the Water Molecule

    SciTech Connect

    Kolesnikov, Alexander I.; Reiter, George F.; Choudhury, Narayani; Prisk, Timothy R.; Mamontov, Eugene; Podlesnyak, Andrey; Ehlers, George; Seel, Andrew G.; Wesolowski, David J.; Anovitz, Lawrence M.

    2016-04-22

    When using neutron scattering and ab initio simulations, we document the discovery of a new “quantum tunneling state” of the water molecule confined in 5 Å channels in the mineral beryl, characterized by extended proton and electron delocalization. We observed a number of peaks in the inelastic neutron scattering spectra that were uniquely assigned to water quantum tunneling. Additionally, the water proton momentum distribution was measured with deep inelastic neutron scattering, which directly revealed coherent delocalization of the protons in the ground state.

  20. Quantum Tunneling of Water in Beryl. A New State of the Water Molecule

    SciTech Connect

    Kolesnikov, Alexander I.; Reiter, George F.; Choudhury, Narayani; Prisk, Timothy R.; Mamontov, Eugene; Podlesnyak, Andrey; Ehlers, George; Seel, Andrew G.; Wesolowski, David J.; Anovitz, Lawrence M.

    2016-04-22

    When using neutron scattering and ab initio simulations, we document the discovery of a new “quantum tunneling state” of the water molecule confined in 5 Å channels in the mineral beryl, characterized by extended proton and electron delocalization. We observed a number of peaks in the inelastic neutron scattering spectra that were uniquely assigned to water quantum tunneling. Additionally, the water proton momentum distribution was measured with deep inelastic neutron scattering, which directly revealed coherent delocalization of the protons in the ground state.

  1. Quantum Tunneling of Water in Beryl: A New State of the Water Molecule.

    PubMed

    Kolesnikov, Alexander I; Reiter, George F; Choudhury, Narayani; Prisk, Timothy R; Mamontov, Eugene; Podlesnyak, Andrey; Ehlers, George; Seel, Andrew G; Wesolowski, David J; Anovitz, Lawrence M

    2016-04-22

    Using neutron scattering and ab initio simulations, we document the discovery of a new "quantum tunneling state" of the water molecule confined in 5 Å channels in the mineral beryl, characterized by extended proton and electron delocalization. We observed a number of peaks in the inelastic neutron scattering spectra that were uniquely assigned to water quantum tunneling. In addition, the water proton momentum distribution was measured with deep inelastic neutron scattering, which directly revealed coherent delocalization of the protons in the ground state.

  2. Transient natural convection heat and mass transfer in crystal growth

    NASA Technical Reports Server (NTRS)

    Han, Samuel S.

    1988-01-01

    A numerical analysis of transient combined heat and mass transfer across a rectangular cavity is performed by a numerical method based on the SIMPLE algorithm. The physical parameters are selected to represent a range of possible crystal growth in solutions. Numerical results are compared with available experimental data to confirm the accuracy of the results. Good qualitative agreements are obtained for the average mass transfer rate across the cavity. Also, qualitative agreements are observed for the global development of thermal and solute fields. It is found that the thermal and solute fields become highly oscillatory when the thermal and solute Grashof numbers are large. Oscillations are probably caused by a number of different instability mechanisms. By reducing the gravity some of these instabilities were made to disappear at the lower Grashof numbers. Transient temperature and solute distribution near the crystal growing surface are highly non-uniform at the higher Grashof numbers. These non-uniformities are less severe in the reduced gravity environments but still exist. The effects of convection on the rate of average mass transfer are more than one order of magnitude higher than those of conduction in the range of Grashof numbers studied. Dependency of mass transfer rate on the Grashof number indicates that the convection effects many not be negligible even in the microgravity environments for the range of parameters investigated.

  3. Statistical Nature of Atomic Disorder in Irradiated Crystals

    NASA Astrophysics Data System (ADS)

    Boulle, A.; Debelle, A.

    2016-06-01

    Atomic disorder in irradiated materials is investigated by means of x-ray diffraction, using cubic SiC single crystals as a model material. It is shown that, besides the determination of depth-resolved strain and damage profiles, x-ray diffraction can be efficiently used to determine the probability density function (PDF) of the atomic displacements within the crystal. This task is achieved by analyzing the diffraction-order dependence of the damage profiles. We thereby demonstrate that atomic displacements undergo Lévy flights, with a displacement PDF exhibiting heavy tails [with a tail index in the γ =0.73 - 0.37 range, i.e., far from the commonly assumed Gaussian case (γ =2 )]. It is further demonstrated that these heavy tails are crucial to account for the amorphization kinetics in SiC. From the retrieved displacement PDFs we introduce a dimensionless parameter fDXRD to quantify the disordering. fDXRD is found to be consistent with both independent measurements using ion channeling and with molecular dynamics calculations.

  4. Single crystal x-ray structural determination of natural products

    NASA Astrophysics Data System (ADS)

    Fun, Hoong-Kun; Boonnak, Nawong; Chantrapromma, Suchada

    2012-06-01

    Bioactive natural products have been extensively studied worldwide because natural products compounds with their great structural diversity have traditionally provided most of the drugs in use. Nevertheless the most important step in the drug discovery process is the structural characterization of isolated compounds with interesting biological activities. X-ray structure determination is a powerful technique for characterization because this technique is able to provide a lot of informations on stereochemistry and the detailed three-dimension structures made available can be corelated to activities of these structures. The advancement of X-ray crystallography makes the characterization procedure more precise, much easier and less time consumable. Moreover, this technique can directly and easily confirm whether these compounds are enantiomerically pure or racemate. In addition the absolute configuration of a natural products molecule can be easily determined by this technique. This work shall be based on the results from our natural products research. The absolute configuration of 6-Hydroxysalvinolone and Horminone, which were isolated from Premna obtusifolia will be presented. Three racemates, namely Panduratin A, Caged xanthone and Murrayazoline, which were isolated from the natural products sources will also be presented.

  5. Thermal diffusion boron doping of single-crystal natural diamond

    NASA Astrophysics Data System (ADS)

    Seo, Jung-Hun; Wu, Henry; Mikael, Solomon; Mi, Hongyi; Blanchard, James P.; Venkataramanan, Giri; Zhou, Weidong; Gong, Shaoqin; Morgan, Dane; Ma, Zhenqiang

    2016-05-01

    With the best overall electronic and thermal properties, single crystal diamond (SCD) is the extreme wide bandgap material that is expected to revolutionize power electronics and radio-frequency electronics in the future. However, turning SCD into useful semiconductors requires overcoming doping challenges, as conventional substitutional doping techniques, such as thermal diffusion and ion implantation, are not easily applicable to SCD. Here we report a simple and easily accessible doping strategy demonstrating that electrically activated, substitutional doping in SCD without inducing graphitization transition or lattice damage can be readily realized with thermal diffusion at relatively low temperatures by using heavily doped Si nanomembranes as a unique dopant carrying medium. Atomistic simulations elucidate a vacancy exchange boron doping mechanism that occurs at the bonded interface between Si and diamond. We further demonstrate selectively doped high voltage diodes and half-wave rectifier circuits using such doped SCD. Our new doping strategy has established a reachable path toward using SCDs for future high voltage power conversion systems and for other novel diamond based electronic devices. The novel doping mechanism may find its critical use in other wide bandgap semiconductors.

  6. Thermal diffusion boron doping of single-crystal natural diamond

    SciTech Connect

    Seo, Jung-Hun; Mikael, Solomon; Mi, Hongyi; Venkataramanan, Giri; Ma, Zhenqiang; Wu, Henry; Morgan, Dane; Blanchard, James P.; Zhou, Weidong; Gong, Shaoqin

    2016-05-28

    With the best overall electronic and thermal properties, single crystal diamond (SCD) is the extreme wide bandgap material that is expected to revolutionize power electronics and radio-frequency electronics in the future. However, turning SCD into useful semiconductors requires overcoming doping challenges, as conventional substitutional doping techniques, such as thermal diffusion and ion implantation, are not easily applicable to SCD. Here we report a simple and easily accessible doping strategy demonstrating that electrically activated, substitutional doping in SCD without inducing graphitization transition or lattice damage can be readily realized with thermal diffusion at relatively low temperatures by using heavily doped Si nanomembranes as a unique dopant carrying medium. Atomistic simulations elucidate a vacancy exchange boron doping mechanism that occurs at the bonded interface between Si and diamond. We further demonstrate selectively doped high voltage diodes and half-wave rectifier circuits using such doped SCD. Our new doping strategy has established a reachable path toward using SCDs for future high voltage power conversion systems and for other novel diamond based electronic devices. The novel doping mechanism may find its critical use in other wide bandgap semiconductors.

  7. Crystal chemistry of natural uraninite: effects of substitutions and recrystallization

    NASA Astrophysics Data System (ADS)

    Alexandre, P.; Kyser, T.

    2004-05-01

    Uraninite, UO2, is the most common uranium mineral in unconformity-type uranium deposits. It is a chemically active mineral and readily exchanges elements or recrystallizes when subject to hydrothermal events, and as a result can contain variable amounts of thorium, rare earth elements, calcium, and radiogenic elements such as lead, radium, and polonium. The samples of natural uraninite studied here come from the high-grade basement-hosted McArthur River uranium deposit and the sandstone-hosted Virgin River mineralization, both unconformity-related and situated in the Paleoproterozoic Athabasca Basin, Saskatchewan, Canada. Scanning electron microscope images were used to visualize the chemical heterogeneity of euhedral or colloform natural uraninite grains that appear homogeneous with reflected light microscopy. Various zones in uraninite were analyzed by electron microprobe, which not only quantifies the element substitution in uraninite, but also permits calculation of the chemical U-Pb ages of these zones. The observed substitutions in natural uraninite are mostly by silicon with SiO2 contents up to 0.6 wt%, by calcium with CaO contents up to 2.1 wt%, by iron with FeO contents up to 0.9 wt%, and by titanium with TiO2 contents up to 0.8 wt%. The concentration of lead, with PbO contents of 9.1 wt% in the least altered uraninite, is anti-correlated with the substitution elements, which indicates that it is replaced by these. The chemical ages of natural uraninite vary between ca. 1270 Ma and ca. 700 Ma, and are anti-correlated with the content of the substitution elements. The ages indicate that alteration of uraninite has occurred at particular times, ca. 1220 Ma, ca. 1110 Ma, ca. 910, and ca. 680 Ma, which correspond to periods of increased fluid circulation in the Athabasca Basin as a result of far-field orogenic or tectonic events. A further stage of uraninite recrystallization to coffinite occurred at ca. 500 Ma, with SiO2 content up to 9.7 wt%, CaO content up

  8. Crystal structure and crystal chemistry of melanovanadite, a natural vanadium bronze.

    USGS Publications Warehouse

    Konnert, J.A.; Evans, H.T.

    1987-01-01

    The crystal structure of melanovanadite from Minas Ragra, Peru, has been determined in space group P1. The triclinic unit cell (non-standard) has a 6.360(2), b 18.090(9), c 6.276(2) A, alpha 110.18(4)o, beta 101.62(3)o, gamma 82.86(4)o. A subcell with b' = b/2 was found by crystal-structure analysis to contain CaV4O10.5H2O. The subcell has a layer structure in which the vanadate sheet consists of corner-shared tetrahedral VO4 and double square-pyramidal V2O8 groups, similar to that previously found in synthetic CsV2O5. Refinement of the full structure (R = 0.056) showed that the Ca atom, which half-occupies a general position in the subcell, is 90% ordered at one of these sites in the whole unit cell. Bond length-bond strength estimates indicate that the tetrahedra contain V5+, and the square pyramids, V4+.-J.A.Z.

  9. Strain-induced crystallization and mechanical properties of functionalized graphene sheet-filled natural rubber

    SciTech Connect

    Ozbas, Bulent; Toki, Shigeyuki; Hsiao, Benjamin S.; Chu, Benjamin; Register, Richard A.; Aksay, Ilhan A.; Prud'homme, Robert K.; Adamson, Douglas H.

    2012-03-11

    The effects of functionalized graphene sheets (FGSs) on the mechanical properties and strain-induced crystallization of natural rubber (NR) are investigated. FGSs are predominantly single sheets of graphene with a lateral size of several hundreds of nanometers and a thickness of 1.5 nm. The effect of FGS and that of carbon black (CB) on the strain-induced crystallization of NR is compared by coupled tensile tests and X-ray diffraction experiments. Synchrotron X-ray scattering enables simultaneous measurements of stress and crystallization of NR in real time during sample stretching. The onset of crystallization occurs at significantly lower strains for FGS-filled NR samples compared with CB-filled NR, even at low loadings. Neat-NR exhibits strain-induced crystallization around a strain of 2.25, while incorporation of 1 and 4 wt % FGS shifts the crystallization to strains of 1.25 and 0.75, respectively. In contrast, loadings of 16 wt % CB do not significantly shift the critical strain for crystallization. Two-dimensional (2D) wide angle X-ray scattering patterns show minor polymer chain alignment during stretching, in accord with previous results for NR. Small angle X-ray scattering shows that FGS is aligned in the stretching direction, whereas CB does not show alignment or anisotropy. The mechanical properties of filled NR samples are investigated using cyclic tensile and dynamic mechanical measurements above and below the glass transition of NR.

  10. Stress-induced stabilization of crystals in shape memory natural rubber.

    PubMed

    Heuwers, Benjamin; Quitmann, Dominik; Hoeher, Robin; Reinders, Frauke M; Tiemeyer, Sebastian; Sternemann, Christian; Tolan, Metin; Katzenberg, Frank; Tiller, Joerg C

    2013-01-25

    In contrast to all known shape memory polymers, the melting temperature of crystals in shape memory natural rubber (SMNR) can be greatly manipulated by the application of external mechanical stress. As shown previously, stress perpendicular to the prior programming direction decreases the melting temperature by up to 40 K. In this study, we investigated the influence of mechanical stress parallel to prior stretching direction during programming on the stability of the elongation-stabilizing crystals. It was found that parallel stress stabilizes the crystals, which is indicated by linear increase of the trigger temperature by up to 17 K. The crystal melting temperature can be increased up to 126.5 °C under constrained conditions as shown by X-ray diffraction measurements.

  11. Crystallization and Stress Relaxation in Highly Stretched Samples of Natural Rubber and its Synthetic Analogue

    SciTech Connect

    Tosaka,M.; Kawakami, D.; Senoo, K.; Kohjiya, S.; Toki, S.; Hsiao, B.

    2006-01-01

    Vulcanizates of natural rubber (NR) and its synthetic analogue (IR) were quickly stretched to 6 times the original length. The post stretch relaxation of tensile stress and the development of strain-induced crystallization (SIC) were studied by simultaneous measurements of the stress and the diffraction intensities using the synchrotron X-ray source. In the range of 8 s, NR crystallized much faster than IR. Accordingly, the origin of the superior toughness of NR was thought to come from the ability of rapid SIC. Time constants of the post-stretch crystallization were estimated from the X-ray study. Then the crystallization time constants were used to decompose the contribution of SIC from the total magnitude of the post-stretch relaxation. The contribution of SIC was dominant for the total magnitude of the post-stretch relaxation during several seconds.

  12. Lung function, biological monitoring, and biological effect monitoring of gemstone cutters exposed to beryls

    PubMed Central

    Wegner, R.; Heinrich-Ramm, R.; Nowak, D.; Olma, K.; Poschadel, B.; Szadkowski, D.

    2000-01-01

    OBJECTIVES—Gemstone cutters are potentially exposed to various carcinogenic and fibrogenic metals such as chromium, nickel, aluminium, and beryllium, as well as to lead. Increased beryllium concentrations had been reported in the air of workplaces of beryl cutters in Idar-Oberstein, Germany. The aim of the survey was to study the excretion of beryllium in cutters and grinders with occupational exposure to beryls—for example, aquamarines and emeralds—to examine the prevalence of beryllium sensitisation with the beryllium lymphocyte transformation test (BeLT), to examine the prevalence of lung disease induced by beryllium, to describe the internal load of the respective metals relative to work process, and to screen for genotoxic effects in this particular profession.
METHODS—In a cross sectional investigation, 57 out of 100 gemstone cutters working in 12 factories in Idar-Oberstein with occupational exposure to beryls underwent medical examinations, a chest radiograph, lung function testing (spirometry, airway resistance with the interrupter technique), and biological monitoring, including measurements of aluminium, chromium, and nickel in urine as well as lead in blood. Beryllium in urine was measured with a newly developed direct electrothermal atomic absorption spectroscopy technique with a measurement limit of 0.06 µg/l. Also, cytogenetic tests (rates of micronuclei and sister chromatid exchange), and a BeLT were performed. Airborne concentrations of beryllium were measured in three factories. As no adequate local control group was available, the cutters were categorised into those with an exposure to beryls of >4 hours/week (group A) and ⩽4 hours/week (group B).
RESULTS—Clinical, radiological, or spirometric abnormalities indicating pneumoconiosis were detected in none of the gemstone cutters. Metal concentrations in biological material were far below the respective biological limit values, and beryllium in urine was only measurable in

  13. Using natural seeding material to generate nucleation in protein crystallization experiments.

    PubMed

    D'Arcy, Allan; Mac Sweeney, Aengus; Haber, Alexander

    2003-07-01

    The nucleation event in protein crystallization is a part of the process that is poorly controlled. It is generally accepted that the protein should be in the metastable phase for crystal growth, but for nucleation higher levels of saturation are needed. Formation of nuclei in bulk solvent requires interaction of protein molecules until a critical size of aggregate is created. In many crystallization experiments sufficiently high levels of saturation are not reached to allow this critical nucleation event to occur. If an environment can be created that favours a higher local concentration of macromolecules, the energy barrier for nucleation may be lowered. When seeds are introduced at lower levels of saturation in a crystallization experiment, nucleation may be facilitated and crystal growth initiated. In this study, the use of natural materials as stable seeds for nucleation has been investigated. The method makes it possible to introduce seeds into crystallization trials at any stage of the experiment using both microbatch and vapour-diffusion methods.

  14. Salt or cocrystal of salt? Probing the nature of multicomponent crystal forms with infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Ribeiro, Leandro; Martins, Felipe Terra

    2016-10-01

    The recognition of the nature of a multicomponent crystal form (solvate, salt, cocrystal or cocrystal of salt) is of great importance for pharmaceutical industry because it is directly related to the performance of a pharmaceutical ingredient, since there is interdependence between the structure, its energy and its physical properties. In this context, here we have identified the nature of multicomponent crystal forms of the anti-HIV drug lamivudine with mandelic acid through infrared spectroscopy. These investigated crystal forms were the known S-mandelic acid cocrystal of lamivudine R-mandelate trihydrate (1), a cocrystal of salt, and lamivudine R-mandelate (2), a salt. This approach also supports the identification and distinction of both ionized and unionized forms of mandelic acid in the infrared spectrum of 1. In this way, infrared spectroscopy can be useful to distinguish a cocrystal of salt from either salt or cocrystal forms. In the course of this study, for the first time we have also characterized and determined the crystal structure of R-mandelic acid cocrystal of sodium R-mandelate (3).

  15. Cooperative parametric (quasi-Cherenkov) radiation produced by electron bunches in natural or photonic crystals

    NASA Astrophysics Data System (ADS)

    Anishchenko, S. V.; Baryshevsky, V. G.

    2015-07-01

    We study the features of cooperative parametric (quasi-Cherenkov) radiation arising when initially unmodulated electron (positron) bunches pass through a crystal (natural or artificial) under the conditions of dynamical diffraction of electromagnetic waves in the presence of shot noise. A detailed numerical analysis is given for cooperative THz radiation in artificial crystals. The radiation intensity above 200 MW/cm2 is obtained in simulations. The peak intensity of cooperative radiation emitted at small and large angles to particle velocity is investigated as a function of the current density of an electron bunch. The peak radiation intensity appeared to increase monotonically until saturation is achieved. At saturation, the shot noise causes strong fluctuations in the intensity of cooperative parametric radiation. It is shown that the duration of radiation pulses can be much longer than the particle flight time through the crystal. This enables a thorough experimental investigation of the time structure of cooperative parametric radiation generated by electron bunches available with modern accelerators. The complicated time structure of cooperative parametric (quasi-Cherenkov) radiation can be observed in crystals (natural or artificial) in all spectral ranges (X-ray, optical, terahertz, and microwave).

  16. Characterization of single-crystal diamond grown from the vapor phase on substrates of natural diamond

    SciTech Connect

    Altukhov, A. A.; Vikharev, A. L.; Gorbachev, A. M.; Dukhnovsky, M. P.; Zemlyakov, V. E.; Ziablyuk, K. N.; Mitenkin, A. V.; Muchnikov, A. B. Radishev, D. B.; Ratnikova, A. K.; Fedorov, Yu. Yu.

    2011-03-15

    The results of studies of single-crystal diamond layers with orientation (100) grown on substrates of IIa-type natural diamond by chemical-vapor deposition and of semiconductor diamond obtained subsequently by doping by implantation of boron ions are reported. Optimal conditions of postimplantation annealing of diamond that provide the hole mobility of 1150 cm{sup 2} V{sup -1} s{sup -1} (the highest mobility obtained so far for semiconductor diamond after ion implantation) are given.

  17. Exploring crystallization kinetics in natural rhyolitic melts using high resolution CT imagery of spherulites

    NASA Astrophysics Data System (ADS)

    Clow, T. W.; Befus, K. S.; Gardner, J. E.

    2014-12-01

    Little of our understanding of crystallization kinetics has been directly derived from studies of natural samples. We examine crystallization of rhyolitic melts by quantifying spherulite sizes and number densities in obsidian collected from Yellowstone caldera using high-resolution x-ray computed tomography (CT) imagery. Spherulites are spherical to ellipsoidal masses of intergrown alkali feldspar and quartz in a radiating, fibrous structure. They are thought to form in response to relatively rapid crystallization of melt in response to large amounts of undercooling. Recent research using compositional gradients that form outside of spherulites has suggested that they nucleate at 700 to 500 ˚C and their growth slows exponentially until it eventually ceases at ~400 ˚C. By quantifying spherulite textures, and using those temperature constraints, we derive new kinetic information regarding crystallization in natural rhyolitic systems. We find that spherulites range from 0.2 to 12.3 mm in diameter, and are 0.004 to 49.5 mm3 in volume. Such values generate number densities of 70 to 185 spherulites cm-3. Histograms of size display positively skewed distributions indicating small spherulites are far more abundant than larger ones. Those distributions imply nucleation rates change as a function of temperature. At higher temperatures where the melt is undercooled by 400-500 ˚C, nucleation is rare and growth is favored. With decreasing temperature, nucleation rates increase rapidly until cold enough temperatures are reached that diffusion limits crystallization and causes it to cease (undercoolings of ~650 ˚C). Assuming a cooling rate for the host obsidian of 10-5 ˚C s-1, then overall spherulite nucleation rates are 0.01 to 0.03 spherulites cm-3 hour-1.

  18. Glassy nature and glass-to-crystal transition in the binary metallic glass CuZr

    NASA Astrophysics Data System (ADS)

    Wei, Zi-Yang; Shang, Cheng; Zhang, Xiao-Jie; Liu, Zhi-Pan

    2017-06-01

    The prediction for the stability of glassy material is a key challenge in physical science. Here, we report a theoretical framework to predict the glass stability based on stochastic surface walking global optimization and reaction pathway sampling. This is demonstrated by revealing for the first time the global potential energy surface (PES) of two systems, CuZr binary metallic glass and nonglassy pure Cu systems, and establishing the lowest energy pathways linking glassy/amorphous structures with crystalline structures. The CuZr system has a significant number of glassy structures on PES that are ˜0.045 eV /atom above the crystal structure. Two clear trends are identified from global PES in the glass-to-crystal transition of the CuZr system: (i) the local Zr-Cu coordination (nearest neighbor) increases, and (ii) the local Zr bonding environment becomes homogeneous. This allows us to introduce quantitative structural and energetics conditions to distinguish the glassy structures from the crystalline structures. Because of the local Zr-Cu exchange in the glass-to-crystal transition, a high reaction barrier (>0.048 eV /atom ) is present to separate the glassy structures and the crystals in CuZr. By contrast, the Cu system, although it does possess amorphous structures that appear at much higher energy (˜0.075 eV /atom ) with respect to the crystal structure, has very low reaction barriers for the crystallization of amorphous structures, i.e. <0.011 eV /atom . The quantitative data on PES now available from global optimization techniques deepens our understanding on the microscopic nature of glassy material and might eventually facilitate the design of stable glassy materials.

  19. Crystallization of urine mineral components may depend on the chemical nature of Proteus endotoxin polysaccharides.

    PubMed

    Torzewska, Agnieszka; Staczek, Paweł; Rózalski, Antoni

    2003-06-01

    Formation of infectious urinary calculi is the most common complication accompanying urinary tract infections by members of the genus Proteus. The major factor involved in stone formation is the urease produced by these bacteria, which causes local supersaturation and crystallization of magnesium and calcium phosphates as carbonate apatite [Ca(10)(PO(4))(6).CO(3)] and struvite (MgNH(4)PO(4).6H(2)O), respectively. This effect may also be enhanced by bacterial polysaccharides. Macromolecules of such kind contain negatively charged residues that are able to bind Ca(2+) and Mg(2+), leading to the accumulation of these ions around bacterial cells and acceleration of the crystallization process. The levels of Ca(2+) and Mg(2+) ions bound by whole Proteus cells were measured, as well as the chemical nature of isolated LPS polysaccharides, and the intensity of the in vitro crystallization process was compared in a synthetic urine. The results suggest that the sugar composition of Proteus LPS may either enhance or inhibit the crystallization of struvite and apatite, depending on its chemical structure and ability to bind cations. This points to the increased importance of endotoxin in urinary tract infections.

  20. Crystal structure of olivetolic acid: a natural product from Cetrelia sanguinea (Schaer.)

    PubMed Central

    Ismed, Friardi; Farhan, Aulia; Bakhtiar, Amri; Zaini, Erizal; Nugraha, Yuda Prasetya; Dwichandra Putra, Okky; Uekusa, Hidehiro

    2016-01-01

    The title compound, C12H16O4 (systematic name: 2,4-dihy­droxy-6-pentyl­benzoic acid) is a natural product isolated from C. sanguinea (Schaer.) and is reported to have various pharmacological activities. The mol­ecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.096 Å) and features an intra­molecular O—H⋯O hydrogen bond. In the crystal, each olivetolic acid mol­ecule is connected to three neighbours via O—H⋯O hydrogen bonds, generating (10-1) sheets. This crystal is essentially isostructural with a related resorcinolic acid with a longer alkyl chain. PMID:27840714

  1. Lateral jetting technology improves PDC performance theory and practice in the North Sea Beryl Field

    SciTech Connect

    Lewis, J.; Dacre, A.; Worthington, C.; Brown, P.; Simpson, N.

    1994-12-31

    Advances in modern technology continuously present companies with opportunities to improve their products. PDC drill bits have been available for over twenty years, during which time manufacturers have steadily improved the design and quality of their products. Research and development regarding bit profile, cutter types, cutter sizes, cutter layouts and hydraulic configurations has taken place with varying degrees of success. This paper will present a new manufacturing process for PDC drill bits which utilizes a unique bit body material. This technology allows design freedom for a lateral jet hydraulics concept. lateral jets set into the blades of the bit improve the cutter cleaning efficiency. In addition to cleaning the slot in front of it, the jet creates a Venturi effect drawing the fluid across the blades serviced by the downward jets. This flow is then ejected at high speed to the junk slots. Increased efficiency of cutter cleaning has a direct benefit on rate of penetration. Case studies predominantly concerning Mobil Oils Beryl Field in the UK sector North Sea are presented showing direct offsets, to demonstrate the extra footage and ROP obtained by implementation of this technology.

  2. Numerical modeling of crystal growth on a centrifuge for unstable natural convection configurations

    NASA Technical Reports Server (NTRS)

    Ramachandran, N.; Downey, J. P.; Curreri, P. A.; Jones, J. C.

    1993-01-01

    The fluid mechanics associated with crystal growth processes on centrifuges is modeled using 2D and 3D models. Two-dimensional calculations show that flow bifurcations exist in such crystal growth configurations where the ampoule is oriented in the same direction as the resultant gravity vector and a temperature gradient is imposed on the melt. A scaling analysis is formulated to predict the flow transition point from the natural convection dominated regime to the Coriolis force dominated regime. Results of 3D calculations are presented for two thermal configurations of the crystal growth cell: top heated and bottom heated with respect to the centrifugal acceleration. In the top heated configuration, a substantial reduction in the convection intensity within the melt can be attained by centrifuge operations, and close to steady diffusion-limited thermal conditions can be achieved over a narrow range of the imposed microgravity level. In the bottom heated configuration the Coriolis force has a stabilizing effect on fluid motion by delaying the onset of unsteady convection.

  3. Sintering polycrystalline olivine and polycrystalline clinopyroxene containing trace amount of graphite from natural crystals

    NASA Astrophysics Data System (ADS)

    Tsubokawa, Yumiko; Ishikawa, Masahiro

    2017-09-01

    Graphite-bearing polycrystalline olivine and polycrystalline clinopyroxene with submicron to micron grain size were successfully sintered from a single crystal of naturally occurring olivine (Fo88-92Fa12-8: Mg1.76-1.84Fe0.16-0.24SiO4) and a single crystal of naturally occurring clinopyroxene (Di99Hed1: Ca0.92Na0.07Mn0.01Mg0.93Fe0.01Al0.06Si2O6). The milled powders of both these crystals were sintered under argon gas flow at temperatures ranging from 1130 to 1350 °C for 2 h. As the sintering temperature increased, the average grain size of olivine increased from 0.2 to 1.4 µm and that of clinopyroxene increased from 0.1 to 2.4 µm. The porosity of sintered samples remained at an almost-constant volume of 2-5% for olivine and 3-4% for clinopyroxene. The samples sintered from powders milled with ethanol exhibited trace amount of graphite, identified via Raman spectroscopy analysis. As the sintering temperature increased, the intensity of the graphite Raman peak decreased, compared with both olivine and clinopyroxene peaks. The carbon content of the sintered samples was estimated to be a few hundred ppm. The in-plane size ( L a ) of graphite in the sintered olivine was estimated to be <15 nm. Our experiments demonstrate new possibilities for preparing graphite-bearing silicate-mantle mineral rocks, and this method might be useful in understanding the influence of the physical properties of graphite on grain-size-sensitive rheology or the seismic velocity of the Earth's mantle.[Figure not available: see fulltext.

  4. Crystal chemistry of volcanic allanites indicative of naturally induced oxidation-dehydrogenation

    NASA Astrophysics Data System (ADS)

    Hoshino, Mihoko; Kimata, Mitsuyoshi; Chesner, Craig A.; Nishida, Norimasa; Shimizu, Masahiro; Akasaka, Takeshi

    2010-05-01

    welding of the Youngest Toba Tuff caused the following post-crystallization changes to occur in YTT allanite: oxidation of Fe2+ to Fe3+, release of H2, and the concomitant replacement of OH- by O2-. These oxidation and dehydrogenation processes advanced during the welding to thereby produce oxyallanite. Oxyallanite had been reported only in laboratory studies where it was produced by heating natural allanite. Our report on natural oxyallanite suggests that it may be present in other welded silicic volcanic rocks as well.

  5. The natural weathering of staurolite: crystal-surface textures, relative stability, and the rate-determining step

    Treesearch

    Michael A. Velbel; Charles L. Basso; Michael J. Zieg

    1996-01-01

    Mineral surface-textures on naturally weathered crystals of staurolite [monoclinic, pseudo-orthorhombic; Fe4Al18Si8O46(OH)2] indicate that staurolite weathering is generally interface-limited. Etch pits on naturally weathered staurolites are disk-shaped,...

  6. Tropical Storm Beryl as Observed by NASA's Spaceborne Atmospheric Infrared Sounder (AIRS)

    NASA Technical Reports Server (NTRS)

    2006-01-01

    [figure removed for brevity, see original site] Figure 1: AIRS Microwave Image

    This is an infrared image of Tropical Storm Beryl in the western Atlantic, from the Atmospheric Infrared Sounder (AIRS) on NASA's Aqua satellite on July 20, 2006, 1:30 am local time. This AIRS image shows the temperature of the cloud tops or the surface of the Earth in cloud-free regions. The lowest temperatures (in purple) are associated with high, cold cloud tops that make up the top of the hurricane. The infrared signal does not penetrate through clouds. Where there are no clouds the AIRS instrument reads the infrared signal from the surface of the Earth, revealing warmer temperatures (red). This infrared image shows three large regions of strong convection surrounding the core of the storm. The largest, on the northern edge of the core, also appears in the companion microwave image to contain intense precipitation.

    The image in figure 1 is created from microwave radiation emitted by Earth's atmosphere and received by the instrument. It shows where the heaviest rainfall is taking place (in blue) in the storm. Blue areas outside of the tropical storm, where there are either some clouds or no clouds indicate where the sea surface shines through.

    The Atmospheric Infrared Sounder Experiment, with its visible, infrared, and microwave detectors, provides a three-dimensional look at Earth's weather. Working in tandem, the three instruments can make simultaneous observations all the way down to the Earth's surface, even in the presence of heavy clouds. With more than 2,000 channels sensing different regions of the atmosphere, the system creates a global, 3-D map of atmospheric temperature and humidity and provides information on clouds, greenhouse gases, and many other atmospheric phenomena. The AIRS Infrared Sounder Experiment flies onboard NASA's Aqua spacecraft and is managed by NASA's Jet Propulsion Laboratory, Pasadena, Calif., under contract to NASA. JPL is a

  7. Evaluation of the effects of 3D diffusion, crystal geometry, and initial conditions on retrieved time-scales from Fe-Mg zoning in natural oriented orthopyroxene crystals

    NASA Astrophysics Data System (ADS)

    Krimer, Daniel; Costa, Fidel

    2017-01-01

    Volcano petrologists and geochemists increasingly use time-scale determinations of magmatic processes from modeling the chemical zoning patterns in crystals. Most determinations are done using one-dimensional traverses across a two-dimensional crystal section. However, crystals are three-dimensional objects with complex shapes, and diffusion and re-equilibration occurs in multiple dimensions. Given that we can mainly study the crystals in two-dimensional petrographic thin sections, the determined time-scales could be in error if multiple dimensional and geometrical effects are not identified and accounted for. Here we report the results of a numerical study where we investigate the role of multiple dimensions, geometry, and initial conditions of Fe-Mg diffusion in an orthopyroxene crystal with the view towards proper determinations of time scales from modeling natural crystals. We found that merging diffusion fronts (i.e. diffusion from multiple directions) causes 'additional' diffusion that has the greatest influence close to the crystal's corners (i.e. where two crystal faces meet), and with longer times the affected area widens. We also found that the one-dimensional traverses that can lead to the most accurate calculated time-scales from natural crystals are along the b- crystallographic axis on the ab-plane when model inputs (concentration and zoning geometry) are taken as measured (rather than inferred from other observations). More specifically, accurate time-scales are obtained if the compositional traverses are highly symmetrical and contain a concentration plateau measured through the crystal center. On the other hand, for two-dimensional models the ab- and ac-planes are better suited if the initial (pre-diffusion) concentration and zoning geometry inputs are known or can be estimated, although these are a priory unknown, and thus, may be difficult to use in practical terms. We also found that under certain conditions, a combined one-dimensional and two

  8. Nature of Hydrogen Bonds and S···S Interactions in the l-Cystine Crystal.

    PubMed

    Flores-Huerta, Anaid G; Tkatchenko, Alexandre; Galván, Marcelo

    2016-06-23

    The intermolecular interactions that govern the stability of the l-cystine crystal were studied. This task is accomplished by using density-functional theory (DFT) with the generalized-gradient approximation (GGA) and including many-body dispersion (MBD) interactions. The strengths of the different interactions within the molecular crystal were obtained by a decomposition of the total interaction energy in two-, three-, and four-body contributions. It was determined that most of the hydrogen bonds formed within the crystal are strong (13, 15, and 19 kcal/mol) and the van der Waals nature of the S···S interaction is fully confirmed. Also, the presence of strong repulsive three-body contributions is determined. The results obtained support the idea of designing crystal growth inhibitors for this system in such a way that, when inserted in the crystal, they maintain the disulfide bridge environment but its capacity of generate hydrogen-bond networks is removed.

  9. Water in quartz? - A comparison of naturally and experimentally deformed crystals

    NASA Astrophysics Data System (ADS)

    Thust, A.; Kilian, R.; Heilbronner, R.; Stunitz, H.; Holyoke, C. W.; Kronenberg, A. K.

    2011-12-01

    In order to study the influence of water on the deformation of quartz, a series of high PT experiments (Pc up to 1500 MPa and T up to 900°C ) were carried out in a solid medium Griggs apparatus using a quartz single crystal containing a large number of fluid inclusions. FTIR spectroscopy was used to determine water contents. In the undeformed material, the H2O rich fluid inclusions show a large range in size (50 μm < d < 700 μm) and an extremely heterogeneous spatial distribution. Adjacent to the fluid inclusions the crystal is essentially dry (< 100 H/10^6 Si). The absorption spectra show no evidence for intra-crystalline H2O. H2O is only detected in the fluid inclusions (broad absorption band indicating molecular water). When samples were being brought up to experimental conditions, P and T remained close to the fluid inclusion isochore. After deformation, the inclusions are homogeneously distributed throughout the sample and dramatically reduced in size (d < 0.1 μm). Areas with high density of very small fluid inclusions (H2O content ≤ 3000 H/10^6 Si) correlate with high deformation (dislocation glide). The absorption spectra display a discrete peak, indicating OH- bonding in the quartz lattice. Naturally deformed quartz grains in the Truzzo granite (Alps, Northern Italy) are dynamically recrystallized during amphibolite facies conditions by subgrain rotation and grain boundary migration (dislocation creep). The recrystallized grain size (200 < d < 750 μm) indicates low differential stresses of 5-30 MPa. Microstructural observations clearly show that fluid inclusion originally contained in magmatic quartz are expelled during grain boundary migration leaving the recrystallized grains essentially dry with water contents comparable to Brazil quartz (< 200 H/10^6Si). In experiments, the release of H2O from fluid inclusions is considered an important process for crystal plastic deformation. Fluid inclusion rupture, micro cracking and the fast crack healing

  10. Crystallization and sublimation of non-racemic mixtures of natural amino acids: a path towards homochirality

    NASA Astrophysics Data System (ADS)

    Tarasevych, Arkadii V.; Guillemin, Jean-Claude

    2012-07-01

    Homochirality of biologically important molecules such as amino acids and sugars is a prerequisite for the origin of life. There are different forces or mechanisms in the Universe to trigger off the primary imbalance in the enantiomeric ratio. Very likely the initial bias of one type of enantiomers over the other on Earth was arisen from the inflow of extraterrestrial matter (carbonaceous meteorites). The phase transitions (crystallization, sublimation) of non-racemic mixtures of enantiomers are ones of the most probable mechanisms for the homochirogenesis[1]. The sublimation, almost uninvestigated subject and forgotten for 30 years, revealed recently a pathway to the enantioenrichment of natural amino acids[2]. Starting from a mixture with a low content of an enantiopure amino acid a partial sublimation gives a considerable enrichment. In our further experiments we combined two first-order phase transitions of amino acid(s) mixtures: crystallization and sublimation. The results show the possibility of the transfer of enantiopurity between different amino acids[3]. Subliming a crystallized mixture of racemic amino acids with an enantiopure one we found that the sublimate is a non-racemic mixture of the same handedness for all components. The significance of the studies can be realized taking into account that just 5 of 22 proteinogenic amino acids are able to homochiral self-organization. The relevance of these studies to the Prebiotic Earth and to the evolution of the single handedness of biological molecules will be discussed. [1] Blackmond, Phil. Trans. R. Soc. B 2011, 366, 2878. [2] Guillemin et al., Chem. Commun. 2010 , 46, 1482. [3] Tarasevych, Guillemin et al., submitted.

  11. The structure of betaxolol from single crystal X-ray diffraction and natural bond orbital analysis

    NASA Astrophysics Data System (ADS)

    Canotilho, João; Castro, Ricardo A. E.; Rosado, Mário T. S.; Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Simões Redinha, J.

    2008-11-01

    The structure of betaxolol obtained from ethanol:water solution was studied by X-ray diffraction. The geometrical parameters needed to define the structure are tabulated. The X-ray data show the existence of two conformers in the unit cell differing only in the conformation of the cyclopropylmethoxy fragment. Differences in the bond lengths angles and dihedral between both conformations are observed. The cyclopropyl groups lie in approximately perpendicular planes. The two molecular geometries identified by single crystal X-ray diffraction were optimized at the B3LYP/6-31G(d,p) level of theory. Both isolated molecules are retained as distinct conformers upon geometry optimization, despite some dihedral relaxation. The electronic structure of the most important molecular fragments was described in terms of Natural Bond Orbitals. The energetic and spatial features of the occupied and vacant orbitals were studied. The different structures observed in the solid state were explained by the specific interactions involving the oxygen lone pairs in cyclopropylmethoxy. It was observed some orbital and geometry distortion in cyclopropyl caused by the crystal packing.

  12. The nature of dynamic disorder in lead halide perovskite crystals (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Yaffe, Omer; Guo, Yinsheng; Hull, Trevor; Stoumpos, Costas; Tan, Liang Z.; Egger, David A.; Zheng, Fan; Szpak, Guilherme; Semonin, Octavi E.; Beecher, Alexander N.; Heinz, Tony F.; Kronik, Leeor; Rappe, Andrew M.; Kanatzidis, Mercouri G.; Owen, Jonathan S.; Pimenta, Marcos A.; Brus, Louis E.

    2016-09-01

    We combine low frequency Raman scattering measurements with first-principles molecular dynamics (MD) to study the nature of dynamic disorder in hybrid lead-halide perovskite crystals. We conduct a comparative study between a hybrid (CH3NH3PbBr3) and an all-inorganic lead-halide perovskite (CsPbBr3). Both are of the general ABX3 perovskite formula, and have a similar band gap and structural phase sequence, orthorhombic at low temperature, changing first to tetragonal and then to cubic symmetry as temperature increases. In the high temperature phases, we find that both compounds show a pronounced Raman quasi-elastic central peak, indicating that both are dynamically disordered.

  13. Nature of Defects Induced by Au Implantation in Hexagonal Silicon Carbide Single Crystals

    SciTech Connect

    Gentils, Aurelie; Barthe, Marie-France; Egger, Werner; Sperr, Peter

    2009-03-10

    Pulsed-slow-positron-beam-based positron lifetime spectroscopy was used to investigate the nature of vacancy defects induced by 20 MeV Au implantation in single crystals 6H-SiC. Preliminary analysis of the data shows that at lower fluence, below 10{sup 14} cm{sup -2}, a positron lifetime of 220 ps has been obtained: it could be associated with the divacancy V{sub Si}-V{sub C} in comparison with the literature. At higher fluence, above 10{sup 15} cm{sup -2}, a positron lifetime of 260-270 ps, increasing with the incident positron energy, has been observed after decomposition of the lifetime spectra. By comparison with lifetime calculations, open-volumes such as quadrivacancy (V{sub Si}-V{sub C}){sub 2} clusters could be associated with this value.

  14. Microstructures and Crystallographic Misorientation in Experimentally Deformed Natural Quartz Single Crystals

    NASA Astrophysics Data System (ADS)

    Thust, Anja; Heilbronner, Renée.; Stünitz, Holger

    2010-05-01

    Samples of natural milky quartz were deformed in a Griggs deformation apparatus at different confining pressures (700 MPa, 1000 MPa, 1500 MPa), with constant displacement rates of 1 * 10-6s-1, axial strains of 3 - 19%, and at a temperature of 900° C. The single crystal starting material contains a large number of H2O-rich fluid inclusions. Directly adjacent to the fluid inclusions the crystal is essentially dry (50-150H/106Si, determined by FTIR). The samples were cored from a narrow zone of constant 'milkyness' (i.e. same density of fluid inclusions) in a large single crystal in two different orientations (1) normal to one of the prism planes (⊥{m} orientation) and (2) 45° to and to (O+ orientation).During attaining of the experimental P and T conditions, numerous fluid inclusions decrepitate by cracking. Rapid crack healing produces regions of very small fluid inclusions ('wet' quartz domains). Only these regions are subsequently deformed by dislocation glide, dry quartz domains without cracking and decrepitation of fluid inclusions remain undeformed. Sample strain is not sufficient to cause recrystallization, so that deformation is restricted to dislocation glide. In experiments at lower temperatures (800, 700° C) or at lower strain rate (10-5s-1) there is abundant cracking and semi-brittle deformation, indicating that 900° C, (10-6s-1) represents the lower temperature end of crystal plastic deformation in these single crystals. Peak strengths (at 900° C) range between 150 and 250 MPa for most samples of both orientations. There is a trend of decreasing strength with increasing confining pressure, as described by Kronenberg and Tullis (1984) for quartzites, but the large variation in strength due to inhomogeneous sample strain precludes a definite analysis of the strength/pressure dependence in our single crystals. In the deformed samples, we can distinguish a number of microstructures and inferred different slip systems. In both orientations, deformation

  15. Spiral and target patterns in bivalve nacre manifest a natural excitable medium from layer growth of a biological liquid crystal.

    PubMed

    Cartwright, Julyan H E; Checa, Antonio G; Escribano, Bruno; Sainz-Díaz, C Ignacio

    2009-06-30

    Nacre is an exquisitely structured biocomposite of the calcium carbonate mineral aragonite with small amounts of proteins and the polysaccharide chitin. For many years, it has been the subject of research, not just because of its beauty, but also to discover how nature can produce such a superior product with excellent mechanical properties from such relatively weak raw materials. Four decades ago, Wada [Wada K (1966) Spiral growth of nacre. Nature 211:1427] proposed that the spiral patterns in nacre could be explained by using the theory Frank [Frank F (1949) The influence of dislocations on crystal growth. Discuss Faraday Soc 5:48-54] had put forward of the growth of crystals by means of screw dislocations. Frank's mechanism of crystal growth has been amply confirmed by experimental observations of screw dislocations in crystals, but it is a growth mechanism for a single crystal, with growth fronts of molecules. However, the growth fronts composed of many tablets of crystalline aragonite visible in micrographs of nacre are not a molecular-scale but a mesoscale phenomenon, so it has not been evident how the Frank mechanism might be of relevance. Here, we demonstrate that nacre growth is organized around a liquid-crystal core of chitin crystallites, a skeleton that the other components of nacre subsequently flesh out in a process of hierarchical self-assembly. We establish that spiral and target patterns can arise in a liquid crystal formed layer by layer through the Burton-Cabrera-Frank [Burton W, Cabrera N, Frank F (1951) The growth of crystals and the equilibrium structure of their surfaces. Philos Trans R Soc London Ser A 243:299-358] dynamics, and furthermore that this layer growth mechanism is an instance of an important class of physical systems termed excitable media. Artificial liquid crystals grown in this way may have many technological applications.

  16. Spiral and target patterns in bivalve nacre manifest a natural excitable medium from layer growth of a biological liquid crystal

    PubMed Central

    Cartwright, Julyan H. E.; Checa, Antonio G.; Escribano, Bruno; Sainz-Díaz, C. Ignacio

    2009-01-01

    Nacre is an exquisitely structured biocomposite of the calcium carbonate mineral aragonite with small amounts of proteins and the polysaccharide chitin. For many years, it has been the subject of research, not just because of its beauty, but also to discover how nature can produce such a superior product with excellent mechanical properties from such relatively weak raw materials. Four decades ago, Wada [Wada K (1966) Spiral growth of nacre. Nature 211:1427] proposed that the spiral patterns in nacre could be explained by using the theory Frank [Frank F (1949) The influence of dislocations on crystal growth. Discuss Faraday Soc 5:48–54] had put forward of the growth of crystals by means of screw dislocations. Frank's mechanism of crystal growth has been amply confirmed by experimental observations of screw dislocations in crystals, but it is a growth mechanism for a single crystal, with growth fronts of molecules. However, the growth fronts composed of many tablets of crystalline aragonite visible in micrographs of nacre are not a molecular-scale but a mesoscale phenomenon, so it has not been evident how the Frank mechanism might be of relevance. Here, we demonstrate that nacre growth is organized around a liquid-crystal core of chitin crystallites, a skeleton that the other components of nacre subsequently flesh out in a process of hierarchical self-assembly. We establish that spiral and target patterns can arise in a liquid crystal formed layer by layer through the Burton–Cabrera–Frank [Burton W, Cabrera N, Frank F (1951) The growth of crystals and the equilibrium structure of their surfaces. Philos Trans R Soc London Ser A 243:299–358] dynamics, and furthermore that this layer growth mechanism is an instance of an important class of physical systems termed excitable media. Artificial liquid crystals grown in this way may have many technological applications. PMID:19528636

  17. Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate

    NASA Astrophysics Data System (ADS)

    Edwin, Bismi; Amalanathan, M.; Hubert Joe, I.

    2012-10-01

    Vibrational spectral analysis and quantum chemical computations based on density functional theory (DFT) have been performed on the organic crystal L-prolinium picrate (LPP). The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers of LPP have been investigated using B3LYP method. The calculated molecular geometry has been compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA 4 program. The various intramolecular interactions confirming the biological activity of the compound have been exposed by natural bond orbital analysis. The distribution of Mulliken atomic charges and bending of natural hybrid orbitals associated with hydrogen bonding also reflects the presence of intramolecular hydrogen bonding thereby enhancing bioactivity. The analysis of the electron density of HOMO and LUMO gives an idea of the delocalization and low value of energy gap indicates electron transport in the molecule and thereby bioactivity. Vibrational analysis reveals the presence of strong O-H⋯O and N-H⋯O interaction between L-prolinium and picrate ions providing evidence for the charge transfer interaction between the donor and acceptor groups and is responsible for its bioactivity.

  18. Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate.

    PubMed

    Edwin, Bismi; Amalanathan, M; Hubert Joe, I

    2012-10-01

    Vibrational spectral analysis and quantum chemical computations based on density functional theory (DFT) have been performed on the organic crystal L-prolinium picrate (LPP). The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers of LPP have been investigated using B3LYP method. The calculated molecular geometry has been compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA 4 program. The various intramolecular interactions confirming the biological activity of the compound have been exposed by natural bond orbital analysis. The distribution of Mulliken atomic charges and bending of natural hybrid orbitals associated with hydrogen bonding also reflects the presence of intramolecular hydrogen bonding thereby enhancing bioactivity. The analysis of the electron density of HOMO and LUMO gives an idea of the delocalization and low value of energy gap indicates electron transport in the molecule and thereby bioactivity. Vibrational analysis reveals the presence of strong O-H···O and N-H···O interaction between L-prolinium and picrate ions providing evidence for the charge transfer interaction between the donor and acceptor groups and is responsible for its bioactivity.

  19. Single-domain-like behavior in a 3-mm natural single crystal of magnetite

    NASA Astrophysics Data System (ADS)

    Özdemir, Özden; Dunlop, David J.

    1998-02-01

    We have observed single-domain (SD) like behavior in a 3-mm natural single crystal of magnetite following low-temperature demagnetization (LTD), which consists of zero-field cycling through the Verwey transition to erase remanence carried by pinned domain walls. We compared stepwise alternating field (AF) and thermal demagnetization curves of 1-mT total thermoremanent magnetization (TRM), 1-mT partial TRM (pTRM) acquired between the Curie point (TC = 575°C) and 565°C, and saturation isothermal remanent magnetization (SIRM) measured with and without prior LTD. AF demagnetization curves of untreated TRM and SIRM decreased exponentially with increasing AF. SIRM was more resistant to demagnetization than was TRM, a multidomain (MD) result of the Lowrie-Fuller test. After LTD the TRM and SIRM memories had AF demagnetization curves with sigmoid shapes and initial plateaus below 8 mT in which little or no demagnetization occurred. Both features are reminiscent of SD behavior. During thermal demagnetization, untreated TRM and SIRM decreased almost linearly with increasing temperature up to ≈500°C. Such distributed unblocking temperatures TUB are expected for pinned walls in MD grains. The remaining 60% of TRM and 40% of SIRM were lost over a narrow temperature interval concentrated between 560°C and TC. The TRM memory after LTD was very stable against thermal demagnetization. There was no decrease in remanence below 550°C and very little change until 565°C, only 10°C below TC. This very high TUB fraction of TRM seems to have SD-like character. SIRM has similar behavior. In the case of pTRM, both the untreated remanence and the memory after LTD have almost entirely high TUBs, identical to the range of pTRM blocking temperatures TB, 565°C-TC. TUB = TB is a basic property of SD partial TRM. The pTRM memory fraction is also larger than that of total TRM or SIRM. These observations suggest that pTRM(TC, 565°C) isolates an SD-like fraction of remanence similar to that

  20. Playing with light in diatoms: small water organisms with a natural photonic crystal structure

    NASA Astrophysics Data System (ADS)

    De Stefano, Luca; De Stefano, Mario; Maddalena, Pasqualino; Moretti, Luigi; Rea, Ilaria; Mocella, Vito; Rendina, Ivo

    2007-05-01

    Complex micro- and nano-structured materials for photonic applications are designed and fabricated using top technologies. A completely different approach to engineering systems at the sub-micron-scale consists in recognizing the nanostructures and morphologies that nature has optimized during life's history on earth. In fact, biological organisms could exhibit ordered geometries and complex photonic structures which often overcome the products of the best available fabrication technologies. An example is given by diatoms. They are microalgae with a peculiar cell wall made of amorphous hydrated silica valves, reciprocally interconnected in a structure called the frustule. Valve surfaces exhibit specie-specific patterns of regular arrays of chambers, called areolae, developed into the frustule depth. Areolae range in diameter from few hundreds of nanometers up to few microns, and can be circular, polygonal or elongate. The formation of these patterns can be modeled by self-organised phase separation. Despite of the high level of knowledge on the genesis and morphology of diatom frustules, their functions are not completely understood. In this work, we show that the silica skeletons of marine diatoms, characterized by a photonic crystal-like structure, have surprising optical properties, being capable of filtering and focalizing light, as well as exhibiting optical sensing capabilities.

  1. Rheology of crystal-bearing natural magmas: Torsional deformation experiments at 800 °C and 100 MPa

    NASA Astrophysics Data System (ADS)

    Okumura, Satoshi; Kushnir, Alexandra R. L.; Martel, Caroline; Champallier, Rémi; Thibault, Quentin; Takeuchi, Shingo

    2016-12-01

    Rheological behavior of crystal-bearing magma is a controlling factor of magma flow dynamics and hence the style of volcanic eruptions. In this study, we performed torsional deformation experiments to determine the viscosity of crystal-bearing rhyolitic and dacitic magmas. The experiments were conducted at a temperature of 800 °C and under confining and pore fluid pressures of 100 and 80 MPa, respectively, by using an internally heated gas-medium deformation apparatus. To simulate the rheology of natural magma, we deformed volcanic rocks with 16 and 45 vol% crystallinities and < 4 vol% gas bubbles. These rocks have different crystal and bubble shape and size, which appear to influence magma rheology. By using the mechanical data obtained, we calculated flow indices and viscosities for these magmas. For magma with 16 vol% crystallinity, the flow index showed good agreement with previous data obtained from experiments on synthetic magma analogues and model predictions. In contrast, the flow index was smaller than those obtained from previous experiments and model predictions at 45 vol% crystallinity, which may be explained by considering that natural magma contains crystals with different shapes and sizes. We also found that the apparent viscosity of the magma increased when sample-scale fractures were observed in run products. This means that the heterogeneity of natural magma causes locally stiff regions within the sample owing to crystal interaction. Our data indicate that the viscosity of crystal-rich magma is strongly dependent on the strain rate. This implies that magma ascending in a volcanic conduit shows a plug-type flow because the viscosity decreases near the conduit rim where the strain rate is high. Additionally, if shear localises near the rim, a currently unrecognised mechanism may contribute to outgassing from the central portion of the conduit because outgassing is difficult to facilitate without shear deformation.

  2. The peculiarities of natural plastically deformed diamond crystals from “Internatsionalnaya” pipe (Yakutia)

    NASA Astrophysics Data System (ADS)

    Rylov, G. M.; Fedorova, E. N.; Logvinova, A. M.; Pokhilenko, N. P.; Kulipanov, G. N.; Sobolev, N. V.

    2007-05-01

    An internal structure of a representative collection of plastically deformed diamond crystals from "Internatsionalnaya" kimberlite pipe among which are brown, gray-smoky, purplish-pink crystals has been studied by synchrotron radiation (Laue-SR method). The obtained data made it possible to classify the studied crystals by the degree of deformation and polygonization. The results obtained by Laue-SR method correlate well with IR spectroscopy data.

  3. Pegmatites of the Crystal Mountain district, Larimer County, Colorado

    USGS Publications Warehouse

    Thurston, William R.

    1952-01-01

    The Front Range of Colorado is composed chiefly of schists of the pre-Cambrian Idaho Springs formation which have been intruded by a variety of granitic batholiths. In the Crystal Mountain district the Mount Olympus granite, a satellite of the Longs Peak batholith, forms sills and essentially concordant multiple intrusions in quartz-mica schist that dips southward at moderate to steep angles. A great number of pegmatites accompanied and followed the intrusion of the sills, and formed concordant and discordant bodies in schist and granite. Over 1,300 pegmatites in the Hyatt area north of the Big Thompson River are mapped and individually described. There are 27 pegmatites in the area that are made up of a wall zone and a core, and one, the pegmatite at the Hyatt mine, is composed of five zones. The largest pegmatites in the area are discordant in schist and occupy zones that are interpreted to be tear faults and tension fractures produced by the successive intrusions of granite that formed multiple sills. The majority of pegmatites in the large multiple sills were emplaced along the foliation and fractures. The composition of 96 percent of the pegmatites is granitic, 3.5 percent are quartz-rich pegmatites, and a few are tourmaline-rich. The pegmatites were intruded over a period of time and probably were derived from a granitic magma at different stages during differentiation. Solutions escaping from many of the pegmatites tournalinized and silicified the wall rocks for a few inches to two feet, but chemical and spectrographic analyses fail to show the transport of any other constituents. Perthite, plagioclase, and quartz are the essential minerals of the pegmatites, and muscovite is a minor but widespread constituent. Tourmaline, garnet, beryl, and apatite are common accessory minerals, and lithiophillitite-triphylite, bismuthinite, uraninite, columbite-tantalite, and chrysoberyl are rare constituents. Beryl is found in 250 or 27 percent of the pegmatites and makes

  4. Natural olivine crystal-fabrics in the western Pacific convergent region

    NASA Astrophysics Data System (ADS)

    Michibayashi, K.

    2015-12-01

    Crystallographic preferred orientations (CPOs) within a natural peridotite commonly consist three pole figures for [100], [010] and [001] axes and are categorized into the well-known five olivine fabric types: A, B, C, D and E, which are easily connected with olivine slip systems: A as (010)[100], B as (010)[001], C as (001)[001], D as {0kl}[100] and E as (001)[100]. The five fabric types have been discussed on flow stress, water contents and pressure effect in mantle. In addition, AG type has also been proposed in recognition of its common occurrence in nature. The development of AG-type is not clear and could require some factors such as complex slip systems, non-coaxial strain types or the effect of melt during plastic flow. Here, we present our olivine fabric database mainly for the convergent margin in the western Pacific region. We introduce a new index named fabric-index angle (FIA) related to P-wave property of a single olivine crystal instead of a tentative classification of CPOs into the six fabric types, so that a set of CPOs can be expressed as a single angle in a range between -90° and 180°. The six olivine fabric types can have unique FIA: 63° for A type, -28° for B type, 158° for C type, 90° for D type, 106° for E type and 0° for AG type. We divided our olivine database into five tectonic groups: ophiolites, ridge peridotites, trench peridotites, peridotite xenoliths and peridotites enclosed in high-pressure metamorphic rocks. Our result shows that although our database is not yet large enough except the trench peridotites to define the characteristic of the five tectonic groups, the natural olivine fabrics vary in a range of the FIA: 0° to 150° for the ophiolites, 40° to 80° for the ridge peridotites, -40° to 100° for the trench peridotites, 0° to 100° for the peridotite xenoliths and -40° to 10° for the peridotites enclosed in high-pressure metamorphic rocks. The trench peridotites show statistically bimodal distribution of FIA

  5. Photoinduced chemical reactions on natural single crystals and synthesized crystallites of mercury(II) sulfide in aqueous solution containing naturally occurring amino acids.

    PubMed

    Pal, Bonamali; Ikeda, Shigeru; Ohtani, Bunsho

    2003-03-10

    Photoirradiation at >300 nm of aqueous suspensions of several natural crystal specimens and synthesized crystallites of mercury(II) sulfide (HgS) induced deaminocyclization of optically active or racemic lysine into pipecolinic acid (PCA) under deaerated conditions. This is the first example, to the best of our knowledge, of photoinduced chemical reactions of natural biological compounds over natural minerals. It was found that the natural HgS crystals had activity higher than those of synthesized ones but lower than those of other sulfides of transition metals, e.g., CdS and ZnS, belonging to the same II-IV chalcogenides. In almost all of the photoreactions, decompostion of HgS occurred to liberate hydrogen sulfide (H(2)S) and Hg(2+), and the latter seemed to have undergone in-situ reductive deposition on HgS as Hg(0) after a certain induction period (24-70 h) during the photoirradiation, as indicated by the darkened color of the suspensions. The formation of PCA, presumably through combination of oxidation of lysine and reduction of an intermediate, cyclic Schiff base, could also be seen after a certain induction time of the Hg(0) formation. This was supported by the fact that the addition of small amount of Hg(2+) (0.5 wt % of HgS) increased the PCA yield by almost 2-fold. We also tried to elucidate certain aspects of the plausible stereochemical reactions in relation to the chiral crystal structure of HgS. Although, in some experiments, slight enantiomeric excess of the product PCA was observed, the excess was below or equal to the experimental error and no other supporting analytical data could not be obtained; we cannot conclude the enantiomeric photoproduction of PCA by the natural chiral HgS specimen.

  6. Nanometre-scale crystals formed in the presence of natural organic matter .

    NASA Astrophysics Data System (ADS)

    Frisia, Silvia; Borsato, Andrea; Zhang, Huiming; Meister, Patrick; Della Porta, Giovanna; Marjo, Chris; Cheong, Soshan; Hartland, Adam; Gattolin, Giovanni; Ischia, Gloria; Anderson, Ebony; Rich, Anne

    2017-04-01

    Nanocrystals have been observed to form micrite in several environments where natural organic matter (NOM) is present in dissolved, colloidal and particulate form, in both modern and ancient continental and marine sediments. In ancient (Triassic) marine deposits, we found perfectly preserved nanocrystal aggregates entombed by NOM, which appears to be associated with clay particulate. These nanocrystal, which have been preserved through million of years, bear similarities with nanocrystal observed in diverse, freshwater, modern settings. In modern and Holocene continental environments, micrite is of interest because of its association with archives of past climate, such as stalagmites. Nanocrystal aggregates forming micrite have been observed in association with microbial structures in tufa, thermal spring pisoids and in cave speleothems. We carried out "instant precipitation" experiments in several caves from New Zealand, Australia and and Italy, cut in both limestones and dolomites, with a focus on finding a relationship between NOM and micrite precipitation. Transmission Electron Microscope (TEM) investigations of the experimental precipitates suggest that nanocrystals nucleated already after 30 minutes on NOM colloids (as confirmed by EDS spectra) possibly originated in the soil zone. Some samples were left to "mature" for 24 hours: aggregates began to show some preferred orientation and a few single crystals on micrometer scale were also observed, which do not seem to be associated with NOM. Our preliminary results suggest that NOM, such as soil-derived humid and fulvic acids, aids nanocrystal aggregate nucleation and growth. The cave experiments seem to indicate that it is not necessary to have microbial mats, or EPS to favor formation of micrite. Our experiments did not capture the occurrence of amorphous precursors, but the amorphous phase may have been gone undetected as NOM is amorphous. Our findings have potential implications for the interpretation of

  7. Syntheses, spectroscopic characterization, crystal structure and natural rubber vulcanization activity of new disulfides derived from sulfonyldithiocarbimates

    NASA Astrophysics Data System (ADS)

    Alves, Leandro de Carvalho; Rubinger, Mayura Marques Magalhães; Tavares, Eder do Couto; Janczak, Jan; Pacheco, Elen Beatriz Acordi Vasques; Visconte, Leila Lea Yuan; Oliveira, Marcelo Ribeiro Leite

    2013-09-01

    The compounds (Bu4N)2[(4-RC6H4SO2NCS2)2] [Bu4N = tetrabutylammonium cation; R = H (1), F (2), Cl (3) and Br (4)] and (Ph4P)2[(4-RC6H4SO2NCS2)2]ṡH2O [Ph4P = tetraphenylphosphonium cation and R = I (5)] were synthesized by the reaction of the potassium dithiocarbimates (4-RC6H4SO2NCS2K2ṡ2H2O) with I2 and Bu4NBr or Ph4PCl. The IR data were consistent with the formation of the dithiocarbimatodisulfides anions. The NMR spectra showed the expected signals for the cations and anions in a 2:1 proportion. The structures of compounds 1-5 were determined by the single crystal X-ray diffraction. The compounds 2, 3 and 4 are isostructural and crystallise in the centrosymmetric space group C2/c of the monoclinic system. Compound 1 crystallises in the monoclinic system in the space group of P21/n and the compound 5 crystallises in the centrosymmetric space group P-1 of the triclinic system. The complex anions of compounds 2, 3 and 4 exhibit similar conformations having twofold symmetry, while in 1 and 5 the anions exhibit C1 symmetry. The activity of the new compounds in the vulcanization of the natural rubber was evaluated and compared to the commercial accelerators ZDMC, TBBS and TMTD. These studies confirm that the sulfonyldithiocarbimato disulfides anions are new vulcanization accelerators, being slower than the commercial accelerators, but producing a greater degree of crosslinking, and scorch time values compatible with good processing safety for industrial applications. The mechanical properties, stress and tear resistances were determined and compared to those obtained with the commercial accelerators.

  8. Isotope shifts of natural Sr+ measured by laser fluorescence in a sympathetically cooled Coulomb crystal

    NASA Astrophysics Data System (ADS)

    Dubost, B.; Dubessy, R.; Szymanski, B.; Guibal, S.; Likforman, J.-P.; Guidoni, L.

    2014-03-01

    We measured by laser spectroscopy the isotope shifts between naturally occurring even isotopes of strontium ions for both the 5s2S1/2→5p2P1/2 (violet) and the 4d2D3/2→5p2P1/2 (infrared) dipole-allowed optical transitions. Fluorescence spectra were taken by simultaneous measurements on a two-component Coulomb crystal in a linear Paul trap containing 103-104 laser-cooled Sr+ ions. The isotope shifts are extracted from the experimental spectra by fitting the data with the analytical solution of the optical Bloch equations describing a three-level atom interacting with two laser beams. This technique allowed us to increase the precision with respect to previously reported data obtained by optogalvanic spectroscopy or fast atomic-beam techniques. The results for the 5s2S1/2→5p2P1/2 transition are ν88-ν84=+378(4) MHz and ν88-ν86=+170(3) MHz, in agreement with previously reported measurements. In the case of the previously unexplored 4d2D3/2→5p2P1/2 transition we find ν88-ν84=-828(4) MHz and ν88-ν86=-402(2) MHz. These results provide more data for stringent tests of theoretical calculations of the isotope shifts of alkali-metal-like atoms. Moreover, they simplify the identification and the addressing of Sr+ isotopes for ion frequency standards or quantum-information-processing applications in the case of multi-isotope ion strings.

  9. Natural optical activity of f-f transitions in ErAl3(BO3)4 single crystal

    NASA Astrophysics Data System (ADS)

    Malakhovskii, A. V.; Sokolov, V. V.; Gudim, I. A.

    2017-08-01

    Absorption and natural circular dichroism (NCD) spectra of ErAl3(BO3)4 single crystal were measured at 90 K in the range of 10,000-28,200 cm-1. The spectra were decomposed on the Lorentz shape components and the natural optical activities (NOA) of f-f transitions between Stark components of the ground and excited multiplets were found. The NCD spectra permitted us to find out existence of two non equivalent positions of Er3+ ion in one of its excited states, which are due to the local decrease of the crystal symmetry in this state. Very large NOA of a vibronic line was revealed. This phenomenon was accounted for basing on the new quantum mechanical formula for the NOA of electron transitions. The principle difference of the NOA properties of electric dipole allowed and parity forbidden transitions is discussed.

  10. Optical hyperpolarization and inductive readout of 31P donor nuclei in natural abundance single crystal 29Si

    NASA Astrophysics Data System (ADS)

    Alexander, Thomas; Haas, Holger; Deshpande, Rahul; Gumann, Patryk; Cory, David

    2016-05-01

    We optically polarize and inductively detect 31P donor nuclei in single crystal silicon at high magnetic fields (6 . 7T). Samples include both natural abundance 29Si and an isotopically purified 28Si sample. We observe dipolar order in the 29Si nuclear spins through a spin-locking measurement. This provides a means of characterizing spin transport in the vicinity of the 31P donors.

  11. A comparative study on the crystal structure of bicycle analogues to the natural phytotoxin helminthosporins

    NASA Astrophysics Data System (ADS)

    Barbosa, Luiz Cláudio de Almeida; Teixeira, Robson Ricardo; Nogueira, Leonardo Brandão; Maltha, Celia Regina Alvares; Doriguetto, Antônio Carlos; Martins, Felipe Terra

    2016-02-01

    Herein we described structural insights of a series of analogues to helminthosporin phytotoxins. The key reaction used to prepare the compounds corresponded to the [3 + 4] cycloaddition between the oxyallyl cation generated from 2,4-dibromopentan-3-one and different furans. Their structures were confirmed upon IR, NMR and X-ray diffraction analyses. While bicycles 7, 8 and 9 crystallize in the centrosymmetric monoclinic space group P21/c, compound 10 was solved in the noncentrosymmetric orthorhombic space group P212121. The solid materials obtained were shown to be racemic crystals (7, 8, 9) or racemic conglomerate (10). In all compounds, there is formation of a bicycle featured by fused tetrahydropyranone and 2,5-dihydrofuran rings. They adopt chair and envelope conformations, respectively. Crystal packing of all compounds is stabilized through C-H•••O contacts. Conformational aspects as well as similarities and differences among the crystal structures of the synthesized analogues are discussed.

  12. Nature of the magnetic phase transition in single-crystal LaMnO3+δ

    NASA Astrophysics Data System (ADS)

    Galetich, I. K.; Eremenko, A. V.; Pashchenko, V. A.; Sirenko, V. A.; Brook, V. V.

    2012-06-01

    The isotherms of the field dependences of the magnetic moment M(H) are measured at temperatures above and below the magnetic phase transition (Tc = 125 K) in single-crystal lanthanum manganite with excess oxygen (LaMnO3+δ). An analysis of these magnetic isotherms with Arrott plots and invoking the Banerjee criterion shows that the magnetic phase transition in this single crystal is a second order phase transition.

  13. Calcium and Magnesium Self-Diffusion in Natural Diopside Single Crystals

    NASA Astrophysics Data System (ADS)

    Zhang, X. Y.; Ganguly, J.; Ito, M.; Hervig, R. L.

    2006-12-01

    Clinopyroxenes in slowly cooled igneous rocks in both planetary and terrestrial environments (e.g. lunar basalts, layered igneous intrusives) commonly show exsolution lamellae of augite and pigeonite (which may be inverted to orthopyroxene) normal to the c-axis. The Ca-Mg-Fe zoning and thickness of these lamellae depend on the cooling rate of the host rock. This can be retrieved if the self-diffusion data for these cations are available. We have, thus, been engaged in systematic experimental studies to determine self-diffusion coefficients of divalent cations and report recent results on Ca and Mg. Gem quality diopside single crystals were oriented in a four-circle X ray diffractometer and cut as thin slabs normal to the c, b and a* axial directions. The cut pieces were polished, then the polished slabs were pre- annealed for 1-2 days at or close to experimental temperature and oxygen fugacity conditions. The source materials for Mg and Ca diffusion, which were ^{26}MgO or 44CaO powders, respectively, were deposited on the polished surfaces by thermal evaporation in an evacuated chamber. The diffusion experiments were conducted at 1 bar pressure at 950-1100 °C in a vertical tube-furnace. The oxygen fugacity was imposed by a computer controlled flowing mixture of CO and CO2, with a mixing ratio corresponding to the f (O2) of the wustite-iron buffer. The induced diffusion profiles were measured by Secondary Ion Mass Spectrometry, and modeled by either thin film source or constant surface solutions for one-dimensional diffusion. The choice of the appropriate model was dictated by the criteria of better fit to the experimental data. Our results show that diffusion in diopside is anisotropic with the fastest diffusion parallel to c- and slowest diffusion parallel to a*-axis, with D(//c) ~ 2D(//a*). D(Mg) is slightly faster than D(Ca) but are ~ an order magnitude faster than the D(Ca) determined by Dimanov (1996). The activation energy for diffusion of Ca parallel to

  14. Rare earth element diffusion in a natural pyrope single crystal at 2.8 GPa

    NASA Astrophysics Data System (ADS)

    Van Orman, James; Grove, Timothy; Shimizu, Nobumichi; Layne, Graham

    Volume diffusion rates of Ce, Sm, Dy, and Yb have been measured in a natural pyrope-rich garnet single crystal (Py71Alm16Gr13) at a pressure of 2.8 GPa and temperatures of 1,200-1,450 °C. Pieces of a single gem-quality pyrope megacryst were polished, coated with a thin layer of polycrystalline REE oxide, then annealed in a piston cylinder device for times between 2.6 and 90 h. Diffusion profiles in the annealed samples were measured by SIMS depth profiling. The dependence of diffusion rates on temperature can be described by the following Arrhenius equations (diffusion coefficients in m2/s): log 10 D{ Yb} = ( - 7.73 +/- 0.97) - ( {343 +/- 30;kJ;mol{ - 1} /2.303RT} )} log 10 D{ Dy} = ( - 9.04 +/- 0.97) - ( {302 +/- 30;kJ;mol{ - 1} /2.303RT} )} log 10 D{ Sm} = ( - 9.21 +/- 0.97) - ( {300 +/- 30;kJ;mol{ - 1} /2.303RT} )} log 10 D{ Ce} = ( - 9.74 +/- 2.84) - ( {284 +/- 91;kJ;mol{ - 1} /2.303RT} )} . There is no significant influence of ionic radius on diffusion rates; at each temperature the diffusion coefficients for Ce, Sm, Dy, and Yb are indistinguishable from each other within the measurement uncertainty. However, comparison with other diffusion data suggests that there is a strong influence of ionic charge on diffusion rates in garnet, with REE3+ diffusion rates more than two orders of magnitude slower than divalent cation diffusion rates. This implies that the Sm-Nd isotopic chronometer may close at significantly higher temperatures than thermometers based on divalent cation exchange, such as the garnet-biotite thermometer. REE diffusion rates in pyrope are similar to Yb and Dy diffusion rates in diopside at temperatures near the solidus of garnet lherzolite ( 1,450 °C at 2.8 GPa), and are an order of magnitude faster than Nd, Ce, and La in high-Ca pyroxene at these conditions. At lower temperatures relevant to the lithospheric mantle and crust, REE diffusion rates in garnet are much faster than in high-Ca pyroxene, and closure temperatures for Nd isotopes in

  15. High-pressure behavior of natural single-crystal epidote and clinozoisite up to 40 GPa

    NASA Astrophysics Data System (ADS)

    Qin, Fei; Wu, Xiang; Wang, Ying; Fan, Dawei; Qin, Shan; Yang, Ke; Townsend, Joshua P.; Jacobsen, Steven D.

    2016-10-01

    The comparative compressibility and high-pressure stability of a natural epidote (0.79 Fe-total per formula unit, Fetot pfu) and clinozoisite (0.40 Fetot pfu) were investigated by single-crystal X-ray diffraction and Raman spectroscopy. The lattice parameters of both phases exhibit continuous compression behavior up to 30 GPa without evidence of phase transformation. Pressure-volume data for both phases were fitted to a third-order Birch-Murnaghan equation of state with V 0 = 461.1(1) Å3, K 0 = 115(2) GPa, and K0' = 3.7(2) for epidote and V 0 = 457.8(1) Å3, K 0 = 142(3) GPa, and K0' = 5.2(4) for clinozoisite. In both epidote and clinozoisite, the b-axis is the stiffest direction, and the ratios of axial compressibility are 1.19:1.00:1.15 for epidote and 1.82:1.00:1.19 for clinozoisite. Whereas the compressibility of the a-axis is nearly the same for both phases, the b- and c-axes of the epidote are about 1.5 times more compressible than in clinozoisite, consistent with epidote having a lower bulk modulus. Raman spectra collected up to 40.4 GPa also show no indication of phase transformation and were used to obtain mode Grüneisen parameters ( γ i) for Si-O vibrations, which were found to be 0.5-0.8, typical for hydrous silicate minerals. The average pressure coefficient of Raman frequency shifts for M-O modes in epidote, 2.61(6) cm-1/GPa, is larger than found for clinozoisite, 2.40(6) cm-1/GPa, mainly due to the different compressibility of FeO6 and AlO6 octahedra in M3 sites. Epidote and clinozoisite contain about 2 wt% H2O are thus potentially important carriers of water in subducted slabs.

  16. Dual nature of the orientational effect of ultrasound on liquid crystals

    NASA Astrophysics Data System (ADS)

    Kapustina, O. A.

    2017-09-01

    The new model of thresholdless distortion of the orientational structure in a homeotropic layer of nematic liquid crystal with free ends in ultrasonic field has been experimentally substantiated for the first time. The model is constructed within the concepts of nonequilibrium thermodynamics and statistical hydrodynamics of liquid crystals for the frequency range in which the elastic and viscous wavelengths are, respectively, longer and shorter than the layer thickness. The main regularities of the phenomenon, which relate the conditional effect threshold to the ultrasonic frequency and layer thickness, have been established based on the experimental data for (20-150)-μm-thick layers in the frequency range of 0.1-9 MHz. These data are compared with the results of numerical calculations, performed taking into account two mechanisms of liquid crystal structure distortion (convective and nonlinear relaxation ones).

  17. Preparation of molecular sieve from natural pyrophyllite and characterization of its Al/Si ratio, crystal structure, and Porosity

    NASA Astrophysics Data System (ADS)

    Idiawati, Riris; Fuad, Abdulloh; Mufti, Nandang; Hartatiek; Bahtiar, Syamsul; Subakti; Taufiq, Ahmad

    2017-05-01

    Pyrophyllite is one abundant mineral in Indonesia which has not been optimally processed. Hence, this study further processed natural pyrophyllite to be an advanced material usable for industrial sector as a molecular sieve (MS). Natural pyrophyllitewas chosen due to its ability to filter gas or liquid selectively. The MS made from natural pyrophyllite was prepared by using a simple method, in short time and with less cost via leaching process. NaOH was varied to 10 M (MS1), 15 M (MS2), and 20 M (MS3) of molarity. Such solution was subsequently dissolved in distilled water and followed by decantation and filtration processes to obtain the deposit. Eventually, the deposit was drained to form MS powders. The BET characterization showed that the respective surface areas of MS1, MS2, and MS3 are 0.350 m2/g, 2.869 m2/g, and 1.176 m2/g with the pore sizes of 30Å, 542 Å, and 550 Å, respectively. The XRF characterization results showed that the Al/Si ratio of MS10, MS15, and MS20 are 2.4, 2.2, and 2.3, respectively. Meanwhile, the XRD investigation pointed out that the primary phase of MS10 and MS15 samples wassodalite with cubic crystal system, quartz with hexagonal crystal system, and diaspore with orthorhombic crystal system, while the MS20 phase was pure in the form of sodalite phase. Moreover, the results of FITR characterization showed that the synthesized MS has a functional group of Si-O-Si bending, Si-O-Al, Si-O, Si-O normal to the plane stretching, inner surface Al-OH deformation, Si-O-Si siloxine, H-O-H, -OH, C-H stretching, and H-O-H bending water.

  18. Investigation of X-ray natural circular dichroism in a CsCuCl3 single crystal: Theory and experiment

    NASA Astrophysics Data System (ADS)

    Rogalev, A.; Goulon, J.; Wilhelm, F.; Kozlovskaya, K. A.; Ovchinnikova, E. N.; Soboleva, L. V.; Konstantinova, A. F.; Dmitrienko, V. E.

    2008-05-01

    X-ray natural circular dichroism in the near-Cu K edge in a CsCuCl3 single crystal, caused by dipole-quadrupole ( E1 E2) transitions between electronic states of different parity, has been experimentally and theoretically investigated. Numerical simulation of the experimental X-ray absorption spectrum and circular dichroism has been performed. It is established that a circular dichroism signal is observed in the pre-edge spectral region; therefore, it is mainly due to the localized electronic p-d states.

  19. On the nature of the orientational effect of ultrasound on nematic liquid crystal

    NASA Astrophysics Data System (ADS)

    Kapustina, O. A.; Negazina, E. K.

    2016-07-01

    Experimental substantiation of the validity of the model of orientational distortion in a homeotropic layer of nematic liquid crystal under an ultrasonic beam with a sharp boundary is presented for the first time. The model is constructed within the concepts of nonequilibrium thermodynamics and statistical hydrodynamics, taking into account the processes of structural relaxation of the mesophase. It establishes the relationship between the characteristics specifying the homeotropic structure deformation (layer thickness, ultrasound frequency, parameters of the molecular micromodel of liquid crystal, and its material constants) and the layer transparency for a linearly polarized light beam. The calculation results are compared with the experimental data in the frequency range of 0.1-3 MHz.

  20. Role of Stearic Acid in the Strain-Induced Crystallization of Crosslinked Natural Rubber and Synthetic Cis-1,4-Polyisoprene

    SciTech Connect

    Kohjiya,S.; Tosaka, M.; Furutani, M.; Ikeda, Y.; Toki, S.; Hsiao, B.

    2007-01-01

    Strain-induced crystallization of crosslinked natural rubber (NR) and its synthetic analogue, cis-1,4-polyisoprene (IR), both mixed with various amounts of stearic acid (SA), were investigated by time-resolved X-ray diffraction using a powerful synchrotron radiation source and simultaneous mechanical (tensile) measurement. No acceleration or retardation was observed on NR in spite of the increase of SA amount. Even the SA-free IR crystallized upon stretching, and the overall crystallization behavior of IR shifted to the larger strain ratio with increasing SA content. No difference due to the SA was detected in the deformation of crystal lattice by stress for both NR and IR. These results suggested that the extended network chains are effective for the initiation of crystallization upon stretching, while the role of SA is trivial. These behaviors are much different from their crystallization at low temperature by standing, where SA acts as a nucleating agent.

  1. The nature of photoinduced changes in the magnetostriction of yttrium-iron garnet single crystals

    SciTech Connect

    Vorob'eva, N. V.

    2011-05-15

    A model of the occurrence of photoinduced changes in linear magnetostriction is proposed based on a complex experimental study of magnetostrictive strains in yttrium-iron garnets Y{sub 3}Fe{sub 5}O{sub 12} with low contents of different impurities. Analytical expressions for calculating the magnetostriction in yttrium-iron garnet single crystals with different types of doping are presented. The correlation of the photoinduced change in the magnetostriction with the crystallographic features of the samples is demonstrated. The changes in the magnetostriction constants are analyzed quantitatively for samples prepared in different ways.

  2. New Insights into the Relationship Between Network Structure and Strain Induced Crystallization in Unvolcanized Natural Rubber by Synchrotron X-ray Diffraction

    SciTech Connect

    Toki, S.; Hsiao, B; Amnuaypornsri, S; Sakdapipanich, J

    2009-01-01

    The relationship between the network structure and strain-induced crystallization in un-vulcanized as well as vulcanized natural rubbers (NR) and synthetic poly-isoprene rubbers (IR) was investigated via synchrotron wide-angle X-ray diffraction (WAXD) technique. It was found that the presence of a naturally occurring network structure formed by natural components in un-vulcanized NR significantly facilitates strain-induced crystallization and enhances modulus and tensile strength. The stress-strain relation in vulcanized NR is due to the combined effect of chemical and naturally occurring networks. The weakness of naturally occurring network against stress and temperature suggests that vulcanized NR has additional relaxation mechanism due to naturally occurring network. The superior mechanical properties in NR compared with IR are mainly due to the existence of naturally occurring network structure.

  3. High-temperature single-crystal neutron diffraction study of natural chondrodite

    NASA Astrophysics Data System (ADS)

    Kunz, Martin; Lager, George A.; Bürgi, Hans-Beat; Fernandez-Diaz, Maria Teresa

    2006-03-01

    The H-atom environment in a Tilly Foster chondrodite was analyzed using single-crystal neutron-diffraction data collected at 500, 700 and 900 K and previously published low temperature data collected at 10, 100 and 300 K on the same crystal (Mg4.64Fe0.28Mn0.014Ti0.023(Si1.01O4)2F1.16(OH)0.84; Friedrich et al. in Am Mineral 86:981-989, 2001). The full mean square displacement matrix Σ of the O-H pair was determined from the temperature dependence of the anisotropic displacement parameters, enabling a proper correction of the O-H bond for thermal vibration without assumptions about the correlation of O and H movements. The results show that the perpendicular O-H motions in chondrodite are intermediate between the riding and the independent motion models. The corrected O-H bond lengths do not change with temperature whereas the corrected H···F distances show an increase of ~0.02 Å with temperature, as do the Mg-O distances. This result shows that spectroscopic observations on the strength of the covalent O-H bond cannot be interpreted unambiguously in terms of a corresponding behaviour of the associated H···O/F hydrogen bond.

  4. Rare earth element diffusion in a natural pyrope single crystal at 2.8 GPa

    NASA Astrophysics Data System (ADS)

    Van Orman, James; Grove, Timothy; Shimizu, Nobumichi; Layne, Graham

    2001-09-01

    Volume diffusion rates of Ce, Sm, Dy, and Yb have been measured in a natural pyrope-rich garnet single crystal (Py71Alm16Gr13) at a pressure of 2.8 GPa and temperatures of 1,200-1,450 °C. Pieces of a single gem-quality pyrope megacryst were polished, coated with a thin layer of polycrystalline REE oxide, then annealed in a piston cylinder device for times between 2.6 and 90 h. Diffusion profiles in the annealed samples were measured by SIMS depth profiling. The dependence of diffusion rates on temperature can be described by the following Arrhenius equations (diffusion coefficients in m2/s): % MathType!MTEF!2!1!+- % feaaeaart1ev0aaatCvAUfKttLearuavTnhis1MBaeXatLxBI9gBam % XvP5wqSXMqHnxAJn0BKvguHDwzZbqegm0B1jxALjhiov2DaeHbuLwB % Lnhiov2DGi1BTfMBaebbfv3ySLgzGueE0jxyaibaieYlf9irVeeu0d % Xdh9vqqj-hEeeu0xXdbba9frFj0-OqFfea0dXdd9vqaq-JfrVkFHe9 % pgea0dXdar-Jb9hs0dXdbPYxe9vr0-vr0-vqpWqaaeaabiGaciaaca % qabeaadaabauaaaOqaauaabeqaeeaaaaqaaiGbcYgaSjabc+gaVjab % cEgaNnaaBaaaleaacqaIXaqmcqaIWaamaeqaaOGaemiraq0aaSbaaS % qaaiabbMfazjabbkgaIbqabaGccqGH9aqpcqGGOaakcqGHsislcqaI % 3aWncqGGUaGlcqaI3aWncqaIZaWmcqGHXcqScqaIWaamcqGGUaGlcq % aI5aqocqaI3aWncqGGPaqkcqGHsisldaqadaqaaiabiodaZiabisda % 0iabiodaZiabgglaXkabiodaZiabicdaWiaaysW7cqqGRbWAcqqGkb % GscaaMe8UaeeyBa0Maee4Ba8MaeeiBaW2aaWbaaSqabeaacqqGTaql % cqqGXaqmaaGccqGGVaWlcqaIYaGmcqGGUaGlcqaIZaWmcqaIWaamcq % aIZaWmcqWGsbGucqWGubavaiaawIcacaGLPaaaaeaacyGGSbaBcqGG % VbWBcqGGNbWzdaWgaaWcbaGaeGymaeJaeGimaadabeaakiabdseaen % aaBaaaleaacqqGebarcqqG5bqEaeqaaOGaeyypa0JaeiikaGIaeyOe % I0IaeGyoaKJaeiOla4IaeGimaaJaeGinaqJaeyySaeRaeGimaaJaei % Ola4IaeGyoaKJaeG4naCJaeiykaKIaeyOeI0YaaeWaaeaacqaIZaWm % cqaIWaamcqaIYaGmcqGHXcqScqaIZaWmcqaIWaamcaaMe8Uaee4AaS % MaeeOsaOKaaGjbVlabb2gaTjabb+gaVjabbYgaSnaaCaaaleqabaGa % eeyla0IaeeymaedaaOGaei4la8IaeGOmaiJaeiOla4IaeG4mamJaeG % imaaJaeG4mamJaemOuaiLaemivaqfacaGLOaGaayzkaaaabaGagiiB % aWMaei4Ba8Maei4zaC2aaSbaaSqaaiabigdaXiabicdaWaqabaGccq % WGebardaWgaaWcbaGaee4uamLaeeyBa0gabeaakiabg2da9iabcIca % Oiabgk

  5. Transient creep in natural and synthetic, iron-bearing olivine single crystals: Mechanical results and dislocation microstructures

    NASA Astrophysics Data System (ADS)

    Hanson, David R.; Spetzler, Hartmut A.

    1994-09-01

    This study examines transient creep of single crystals of both natural and synthetic iron-bearing olivine under uniaxial compression (0.1 MPa confining pressure and loads of 25-30 MPa) at high temperature (1650 K) and controlled oxygen fugacity. Natural samples were obtained from San Carlos, Arizona and synthetic crystals were grown at Lawrence Livermore National Laboratory. Samples were deformed in the [110] c and [101] c orientations, corresponding to the softest and intermediate strength orientations, respectively, as determined from steady-state creep tests. Dislocation microstructures were examined for samples unloaded at 0%, 0.1%, 0.5% and 5% strain. At 0% strain the dislocation density and morphology were lower and less complex in the synthetic olivine than in San Carlos samples. Nearly all microstructures initially present in undeformed material were overwritten by 0.1% strain. With further straining, little change in microstructure occurred to the 5% strain limit tested here. Dislocation microstruc- tures in [101] c samples were consistent with the activation of the [100](001) and [001](100) slip systems. Microstruc- tures formed in [110] c samples matched those expected from activation of a single slip system, [100](010). These slip systems are the same as those identified as responsible for steady-state creep under similar temperature, oxygen fugacity and stress conditions. Both natural and synthetic crystals deformed under constant stress in [101] c showed normal strain hardening with initial strain rates about an order of magnitude higher than those at 5% strain. After an initial high strain rate that was roughly equal in both sample types, the synthetic samples deformed at higher rates than the natural crystals. Crystals in the [110] c orientation deformed in a strikingly different manner. San Carlos olivine showed inverse or strain-softening creep in the first 1-2% strain, after which there is weak evidence suggesting a change to strain

  6. A comparison of turbulence models for natural convection in enclosures: Applications to crystal growth processes

    SciTech Connect

    Zhang, T.; Ladeinde, F.; Zhang, H.; Prasad, V.

    1996-12-31

    This study examines the relative performance of four turbulence models for their possible application in simulating turbulent flow and heat transfer in the Czochralski crystal growth process. These are the standard {kappa}-{epsilon} model with wall function, the low-Reynolds-number {kappa}-{epsilon} model proposed by Abe and Kondoh, the renormalization group {kappa}-{epsilon} model of Yakhot et al. and the algebraic stress model by Gatski and Speziale. Attention was given to the renormalization group {kappa}-{epsilon} model (RNG) and particularly the algebraic stress model (ASM) because of its nonlinear and nonisotropic properties. In fact, the latter model has been reported to give comparable results to full-scale second moment closures for complicated systems with rotation, body force and mild inhomogeneity. Some of the comparisons were made with experimental measurements of turbulent, high Rayleigh number flows. The RNG and ASM results agree better with the experimental data of Cheesewright et al. for the vertical velocity distribution.

  7. Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity

    NASA Astrophysics Data System (ADS)

    Moreira, Rafael Y. O.; Brasil, Davi S. B.; Alves, Cláudio N.; Guilhon, Giselle M. S. P.; Santos, Lourivaldo S.; Arruda, Mara S. P.; Müller, Adolfo H.; Barbosa, Patrícia S.; Abreu, Alcicley S.; Silva, Edilene O.; Rumjanek, Victor M.; Souza, Jaime, Jr.; da Silva, Albérico B. F.; Santos, Regina H. De A.

    Julocrotine, N-(2,6-dioxo-1-phenethyl-piperidin-3-yl)-2-methyl-butyramide, is a potent antiproliferative agent against the promastigote and amastigote forms of Leishmania amazonensis (L.). In this work, the crystal structure of Julocrotine was solved by X-ray diffraction, and its geometrical parameters were compared with theoretical calculations at the B3LYP and HF level of theory. IR and NMR spectra also have been obtained and compared with theoretical calculations. IR absorptions calculated with the B3LYP level of theory employed together with the 6-311G+(d,p) basis set, are close to those observed experimentally. Theoretical NMR calculations show little deviation from experimental results. The results show that the theory is in accordance with the experimental data.0

  8. 3D Micro-topography of Transferred Laboratory and Natural Ice Crystal Surfaces Imaged by Cryo and Environmental Scanning Electron Microscopy

    NASA Astrophysics Data System (ADS)

    Magee, N. B.; Boaggio, K.; Bancroft, L.; Bandamede, M.

    2015-12-01

    Recent work has highlighted micro-scale roughness on the surfaces of ice crystals grown and imaged in-situ within the chambers of environmental scanning electron microscopes (ESEM). These observations appear to align with theoretical and satellite observations that suggest a prevalence of rough ice in cirrus clouds. However, the atmospheric application of the lab observations are indeterminate because the observations have been based only on crystals grown on substrates and in pure-water vapor environments. In this work, we present details and results from the development of a transfer technique which allows natural and lab-grown ice and snow crystals to be captured, preserved, and transferred into the ESEM for 3D imaging. Ice crystals were gathered from 1) natural snow, 2) a balloon-borne cirrus particle capture device, and 3) lab-grown ice crystals from a diffusion chamber. Ice crystals were captured in a pre-conditioned small-volume (~1 cm3) cryo-containment cell. The cell was then sealed closed and transferred to a specially-designed cryogenic dewer (filled with liquid nitrogen or crushed dry ice) for transport to a new Hitachi Field Emission, Variable Pressure SEM (SU-5000). The cryo-cell was then removed from the dewer and quickly placed onto the pre-conditioned cryo transfer stage attached to the ESEM (Quorum 3010T). Quantitative 3D topographical digital elevation models of ice surfaces are reported from SEM for the first time, including a variety of objective measures of statistical surface roughness. The surfaces of the transported crystals clearly exhibit signatures of mesoscopic roughening that are similar to examples of roughness seen in ESEM-grown crystals. For most transported crystals, the habits and crystal edges are more intricate that those observed for ice grown directly on substrates within the ESEM chamber. Portions of some crystals do appear smooth even at magnification greater than 1000x, a rare observation in our ESEM-grown crystals. The

  9. Characterization of a Natural Garnet Crystal as a Reference Material for Micro Analytical Determination of Trace Elements

    NASA Astrophysics Data System (ADS)

    Luo, Y.; Pearson, D. G.; Hardman, M. F.; Woodland, S. J.

    2016-12-01

    Garnet has been widely used in igneous and metamorphic studies of a wide variety of rock types. It is particularly important in provenance studies to locate and assess kimberlites and lamproites during diamond exploration (Fedorowich, Jain et al. 1995). However, an international garnet reference material with well-characterized trace element compositions for in situ laser ablation ICPMS is not widely available. This study aims to characterize the concentrations of trace and ultra- trace elements in a natural garnet crystal, PHN1617, using both laser ablation ICP-MS and solution ICP-MS. LA-ICP-MS trace element mapping was used to confirm the homogeneity of the garnet crystal. Inter-laboratory comparison has been performed to obtain a consensus value for the trace element data. We conclude that the PHN1617 garnet can serve as a reference material or secondary reference material for micro-analytical applications. The use of Ni-in-garnet as a geothermometer for diamond exploration necessitates obtaining high quality Ni ICP-MS data. As such we have evaluated the effect of using Pt, Al, and Ni ICP-MS cones on Ni data quality. A variety of LA-ICP-MS standardization strategies, suited to garnet analysis, have also been investigated using NIST612 and other USGS glasses and these results are presented here. Fedorowich, J. S., et al. (1995). "TRACE-ELEMENT ANALYSIS OF GARNET BY LASER-ABLATION MICROPROBE ICP-MS." Canadian Mineralogist 33: 469-480.

  10. New approach for natural products screening by real-time monitoring of hemoglobin hydrolysis using quartz crystal microbalance.

    PubMed

    Cornelio, Vivian E; Pedroso, Mariele M; Afonso, André S; Fernandes, João B; da Silva, M Fátima G F; Faria, Ronaldo C; Vieira, Paulo C

    2015-03-03

    The hemoglobin (Hb) released from erythrocytes is a primary nutritive component for many blood-feeding parasites. The aspartic protease cathepsin D is a hemoglobinase that is involved in the Hb degradation process and is considered an interesting target for chemotherapy intervention. However, traditional enzymatic assays for studying Hb degradation utilize spectrophotometric techniques, which do not allow real-time monitoring and can present serious interference problems. Herein, we describe a biosensor using simple approach for the real-time monitoring of Hb hydrolysis as well as an efficient screening method for natural products as enzymatic inhibitors using a quartz crystal microbalance (QCM) technique. Hemoglobin was anchored on the quartz crystal surface using mixed self-assembled monolayers. The addition of the enzyme caused a mass change (frequency shift) due to Hb hydrolysis, which was monitored in real time. From the frequency change patterns of the Hb-functionalized QCM, we evaluated the enzymatic reaction by determining the kinetic parameters of product formation (k(cat)). The QCM enzymatic assay using immobilized human Hb was shown to be an excellent approach for screening possible inhibitors in complex mixtures, opening up a new avenue for the discovery of novel inhibitors.

  11. On the binary nature of the mechanism of orientational instability in cholesteric liquid crystals in wave fields

    NASA Astrophysics Data System (ADS)

    Kapustina, O. A.

    2014-07-01

    The prediction of a theory developed with allowance for the processes of orientational order parameter relaxation in liquid crystals about two independent acoustic mechanisms of orientational instability in the planar layer of a cholesteric liquid crystal (CLC) in a wave field, manifesting itself in the occurrence of a system of 2D domains, is experimentally substantiated for the first time. The distortions of the layer macrostructure for the mesophase of this type was observed in the field of longitudinal waves in a wide frequency range, including frequencies above the relaxation frequency of the orientational order parameter in CLC. The values of the spatial domain period at the effect threshold and the threshold compression amplitudes are determined for CLC layers 10-100 μm thick with a helix pitch of 2-30 μm in the frequency range of 0.3-45 MHz. It is shown that a complete theoretical description of the phenomenon, consistent with the experimental data, can be obtained only with allowance for the action of the convection and the nonlinear relaxation mechanisms of the mesophase layer structure destabilization, which have different natures.

  12. Buoyancy studies in natural communities of square gas-vacuolate archaea in saltern crystallizer ponds.

    PubMed

    Oren, Aharon; Pri-El, Nuphar; Shapiro, Orr; Siboni, Nachshon

    2006-04-14

    Possession of gas vesicles is generally considered to be advantageous to halophilic archaea: the vesicles are assumed to enable the cells to float, and thus reach high oxygen concentrations at the surface of the brine. We studied the possible ecological advantage of gas vesicles in a dense community of flat square extremely halophilic archaea in the saltern crystallizer ponds of Eilat, Israel. We found that in this environment, the cells' content of gas vesicles was insufficient to provide positive buoyancy. Instead, sinking/floating velocities were too low to permit vertical redistribution. The hypothesis that the gas vesicles enable the square archaea to float to the surface of the brines in which they live was not supported by experimental evidence. Presence of the vesicles, which are mainly located close to the cell periphery, may provide an advantage as they may aid the cells to position themselves parallel to the surface, thereby increasing the efficiency of light harvesting by the retinal pigments in the membrane.

  13. Buoyancy studies in natural communities of square gas-vacuolate archaea in saltern crystallizer ponds

    PubMed Central

    Oren, Aharon; Pri-El, Nuphar; Shapiro, Orr; Siboni, Nachshon

    2006-01-01

    Background Possession of gas vesicles is generally considered to be advantageous to halophilic archaea: the vesicles are assumed to enable the cells to float, and thus reach high oxygen concentrations at the surface of the brine. Results We studied the possible ecological advantage of gas vesicles in a dense community of flat square extremely halophilic archaea in the saltern crystallizer ponds of Eilat, Israel. We found that in this environment, the cells' content of gas vesicles was insufficient to provide positive buoyancy. Instead, sinking/floating velocities were too low to permit vertical redistribution. Conclusion The hypothesis that the gas vesicles enable the square archaea to float to the surface of the brines in which they live was not supported by experimental evidence. Presence of the vesicles, which are mainly located close to the cell periphery, may provide an advantage as they may aid the cells to position themselves parallel to the surface, thereby increasing the efficiency of light harvesting by the retinal pigments in the membrane. PMID:16613609

  14. Radiation dosimetry using decreasing TL intensity in a few variety of silicate crystals.

    PubMed

    Watanabe, Shigueo; Cano, Nilo F; Gundu Rao, T K; Oliveira, Letícia M; Carmo, Lucas S; Chubaci, Jose F D

    2015-11-01

    This study shows that there are some ionic crystals which after irradiation with high gamma dose Dm and subsequent irradiation with low doses ranging up to 500Gy present a decreasing TL intensity as dose increases. This interesting feature can be used as a calibration curve in radiation dosimetry. Such behavior can be found in green quartz, three varieties of beryl and pink tourmaline. In all these silicate crystals it can be shown that irradiation with increasing γ-dose there is a dose Dm for which the TL intensity is maximum. Of course, Dm varies depending on the crystal and irradiated crystal with the dose Dm is stable. If one of these crystals is taken and irradiated with doses from low values up to 400-500Gy, a curve of decreasing TL intensity is obtained; such a curve can be used as a calibration curve. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Use of YB(66) as monochromator crystals for soft-energy EXAFS.

    PubMed

    Smith, A D; Cowie, B C; Sankar, G; Thomas, J M

    1998-05-01

    YB(66)(400) crystals present a new advance in monochromator crystals suitable for use at energies below 2 keV. In this paper a comparison of their performance with that provided by the more usual beryl and quartz crystals, which cover the same energy range, is presented. In general, the YB(66) crystals are much superior; however, they do exhibit a pair of large 'crystal glitch'-type features in the 1380-1440 eV region. These fall in the Mg K-EXAFS region and so can present a serious problem in studies of this edge for a wide range of materials. An important class of materials so afflicted are magnesium-substituted aluminophosphate molecular sieves (zeolites), which are used in many applications, in particular as solid acid catalysts for conversion of methanol to hydrocarbon.

  16. Spontaneous and induced radiation by electrons/positrons in natural and photonic crystals. Volume free electron lasers (VFELs): From microwave and optical to X-ray range

    NASA Astrophysics Data System (ADS)

    Baryshevsky, V. G.

    2015-07-01

    Spontaneous and induced radiation produced by relativistic particles passing through natural and photonic crystals has enhanced capabilities for achieving the radiation sources operating in different wavelength ranges. Use of a non-one-dimensional distributed feedback, arising through Bragg diffraction in spatially periodic systems (natural and artificial (electromagnetic, photonic) crystals), establishes the foundation for the development of volume free electron lasers/masers (VFELs/VFEMs) as well as high-energy charged particle accelerators. The analysis of basic principles of VFEL theory demonstrates the promising potential of VFELs as the basis for the development of high-power microwave and optical sources.

  17. On the nature of the de Vries smectic-A liquid crystal phase

    NASA Astrophysics Data System (ADS)

    Maclennan, Joseph; Zhu, Chenhui; Shen, Yongqiang; Shao, Renfan; Glaser, Matthew; Clark, Noel; Walba, David; Korblova, Eva; Moran, Mark; Yang, Hong; Wang, Lixing; Pindak, Ron; Lemieux, Robert

    2010-03-01

    Recently a new model for the de Vries SmA (``sugar cone' model) has been proposed.footnotetextS. T. Lagerwall, P. Rudquist, F. Giesselmann, ``The orientational order in so-called de Vries materials'', Mol. Cryst. Liq. Cryst. 510, 1282 (2009). We present results from three different x-ray diffraction experiments designed to explore the nature of the de Vries smectic-A phase: (1) comparison of the first- and second-order smectic Bragg reflections across the smectic-A-smectic-C phase transition; (2) resonant scattering to probe anticlinic correlations in the de Vries smectic-A phase, and (3) measurements of the variation of layer spacing in the de Vries SmA and SmC phases with applied electric field. These experiments may help distinguish the well-known ``hollow cone'' modelfootnotetextA. de Vries, Mol. Cryst. Liq. Cryst. 41, 27 (1977). from the ``sugar cone'' model.

  18. Crystal structure of homo-DNA and nature's choice of pentose over hexose in the genetic system

    SciTech Connect

    Egli, Martin; Pallan, Pradeep S.; Pattanayek, Rekha; Wilds, Christopher J.; Lubini, Paolo; Minasov, George; Dobler, Max; Leumann, Christian J.; Eschenmoser, Albert

    2010-03-05

    An experimental rationalization of the structure type encountered in DNA and RNA by systematically investigating the chemical and physical properties of alternative nucleic acids has identified systems with a variety of sugar-phosphate backbones that are capable of Watson-Crick base pairing and in some cases cross-pairing with the natural nucleic acids. The earliest among the model systems tested to date, (4{prime} {yields} 6{prime})-linked oligo(2{prime},3{prime}-dideoxy-{beta}-d-glucopyranosyl)nucleotides or homo-DNA, shows stable self-pairing, but the pairing rules for the four natural bases are not the same as those in DNA. However, a complete interpretation and understanding of the properties of the hexapyranosyl (4{prime} {yields} 6{prime}) family of nucleic acids has been impeded until now by the lack of detailed 3D-structural data. We have determined the crystal structure of a homo-DNA octamer. It reveals a weakly twisted right-handed duplex with a strong inclination between the hexose-phosphate backbones and base-pair axes, and highly irregular values for helical rise and twist at individual base steps. The structure allows a rationalization of the inability of allo-, altro-, and glucopyranosyl-based oligonucleotides to form stable pairing systems.

  19. How Does a Raindrop Grow?: Precipitation in natural clouds may develop from ice crystals or from large hygroscopic aerosols.

    PubMed

    Braham, R R

    1959-01-16

    On the basis of presently available data, combined with present-day knowledge of the physics and chemistry of cloud particle development, it is possible to make the following generalizations about the mode of precipitation in natural clouds. 1) The all-water mechanism begins to operate as soon as a parcel of cloud air is formed and continues to operate throughout the life of the cloud. The ice-crystal mechanism, on the other hand, can begin to operate only after the top of the cloud has reached levels where ice nuclei can be effective (about -15 degrees C). Some clouds never reach this height; any precipitation from them must be through the all-water mechanism. In cold climates and at high levels in the atmosphere, the cloud bases may be very close to this critical temperature. In the tropics, approximately 25,000 feet separate the bases of low clouds from the natural ice level. 2) The number of large hygroscopic nuclei in maritime air over tropical oceans is entirely adequate to rain-out any cloud with a base below about 10,000 feet, provided the cloud duration and cloud depth is sufficient for the precipitation process to operate. Extensive trajectories over land will decrease the number of sea-salt particles, both because of sedimentation and removal in rain. Measurements show an order-of-magnitude decrease in the number of large particles as maritime air moves from the Gulf of Mexico to the vicinity of St. Louis, during the summer months. Measurements in Arizona and New Mexico show even smaller chloride concentrations, presumably because of the long overland trajectories required in reaching these areas. The maritime particles lost in overland trajectories apparently are more than replaced by particles of land origin. The latter are usually of mixed composition and are less favorable for the formation of outsized solution droplets. 3) Ice nuclei, required for the formation of ice crystals and for droplet freezing, are rather rare at temperatures higher than

  20. Stress-induced melting of crystals in natural rubber: a new way to tailor the transition temperature of shape memory polymers.

    PubMed

    Heuwers, Benjamin; Quitmann, Dominik; Katzenberg, Frank; Tiller, Joerg C

    2012-09-26

    Lightly cross-linked natural rubber (NR, cis-1,4-polyisoprene) was found to be an exceptional cold programmable shape memory polymer (SMP) with strain storage of up to 1000%. These networks are stabilized by strain-induced crystals. Here, we explore the influence of mechanical stress applied perpendicular to the elongation direction of the network on the stability of these crystals. We found that the material recovers its original shape at a critical transverse stress. It could be shown that this is due to a disruption of the strain-stabilizing crystals, which represents a completely new trigger for SMPs. The variation of transverse stress allows tuning of the trigger temperature T(trig) (σ) in a range of 45 to 0 °C, which is the first example of manipulating the transition of a crystal-stabilized SMP after programming.

  1. Identification of a possible superconducting transition above room temperature in natural graphite crystals

    NASA Astrophysics Data System (ADS)

    Precker, Christian E.; Esquinazi, Pablo D.; Champi, Ana; Barzola-Quiquia, José; Zoraghi, Mahsa; Muiños-Landin, Santiago; Setzer, Annette; Böhlmann, Winfried; Spemann, Daniel; Meijer, Jan; Muenster, Tom; Baehre, Oliver; Kloess, Gert; Beth, Henning

    2016-11-01

    Measuring with high precision the electrical resistance of highly ordered natural graphite samples from a Brazil mine, we have identified a transition at ∼350 K with ∼40 K transition width. The step-like change in temperature of the resistance, its magnetic irreversibility and time dependence after a field change, consistent with trapped flux and flux creep, and the partial magnetic flux expulsion obtained by magnetization measurements, suggest the existence of granular superconductivity below 350 K. The zero-field virgin state can only be reached again after zero field cooling the sample from above the transition. Paradoxically, the extraordinarily high transition temperature we found for this and several other graphite samples is the reason why this transition remained undetected so far. The existence of well ordered rhombohedral graphite phase in all measured samples has been proved by x-rays diffraction measurements, suggesting its interfaces with the Bernal phase as a possible origin for the high-temperature superconductivity, as theoretical studies predicted. The localization of the granular superconductivity at these two dimensional interfaces prevents the observation of a zero resistance state or of a full Meissner state.

  2. Liquid Crystal Devices.

    ERIC Educational Resources Information Center

    Bradshaw, Madeline J.

    1983-01-01

    The nature of liquid crystals and several important liquid crystal devices are described. Ideas for practical experiments to illustrate the properties of liquid crystals and their operation in devices are also described. (Author/JN)

  3. Overproduction, purification, crystallization and preliminary X-ray analysis of the peroxiredoxin domain of a larger natural hybrid protein from Thermotoga maritima

    SciTech Connect

    Barbey, Carole; Rouhier, Nicolas; Haouz, Ahmed; Navaza, Alda; Jacquot, Jean-Pierre

    2008-01-01

    Crystals of the peroxiredoxin domain of a larger natural hybrid protein from T. maritima were obtained which diffracted to 2.9 Å resolution on a synchrotron source. Thermotoga maritima contains a natural hybrid protein constituted of two moieties: a peroxiredoxin domain at the N-terminus and a nitroreductase domain at the C-terminus. The peroxiredoxin (Prx) domain has been overproduced and purified from Escherichia coli cells. The recombinant Prx domain, which is homologous to bacterial Prx BCP and plant Prx Q, folds properly into a stable protein that possesses biological activity. The recombinant protein was crystallized and synchrotron data were collected to 2.9 Å resolution. The crystals belonged to the tetragonal space group I422, with unit-cell parameters a = b = 176.67, c = 141.20 Å.

  4. Structure analysis on synthetic emerald crystals

    NASA Astrophysics Data System (ADS)

    Lee, Pei-Lun; Lee, Jiann-Shing; Huang, Eugene; Liao, Ju-Hsiou

    2013-05-01

    Single crystals of emerald synthesized by means of the flux method were adopted for crystallographic analyses. Emerald crystals with a wide range of Cr3+-doping content up to 3.16 wt% Cr2O3 were examined by X-ray single crystal diffraction refinement method. The crystal structures of the emerald crystals were refined to R 1 (all data) of 0.019-0.024 and w R 2 (all data) of 0.061-0.073. When Cr3+ substitutes for Al3+, the main adjustment takes place in the Al-octahedron and Be-tetrahedron. The effect of substitution of Cr3+ for Al3+ in the beryl structure results in progressively lengthening of the Al-O distance, while the length of the other bonds remains nearly unchanged. The substitution of Cr3+ for Al3+ may have caused the expansion of a axis, while keeping the c axis unchanged in the emerald lattice. As a consequence, the Al-O-Si and Al-O-Be bonding angles are found to decrease, while the angle of Si-O-Be increases as the Al-O distance increases during the Cr replacement.

  5. Effects of Cr 3+ impurity concentration on the crystallography of synthetic emerald crystals

    NASA Astrophysics Data System (ADS)

    Lee, Pei-Lun; Huang, Eugene; Lee, Jan-Shing; Yu, Shu-Cheng

    2011-06-01

    Flux method has been adopted for the synthesis of emerald crystals using PbO-V 2O 5 as a flux in order to study the crystallography of the synthetic crystals. In general, the hue of green color of emerald deepens with the addition of Cr 3+. The molar volume of the synthesized crystals was found to increase with the incorporation of Cr 2O 3 dopant. The substitution of Cr 3+ for Al 3+ in the octahedral sites of beryl results in the expansion of a-axis, while c-axis remains nearly unchanged. The maximum Cr 2O 3-content allowed in the crystal lattice of emerald has been found to be about 3.5 wt%. When the doping Cr 2O 3-content exceeds 3.5 wt%, a significant anomaly in lattice parameters starts to take place, accompanying the precipitation of an unknown phase in the emerald matrix.

  6. 57Fe Mössbauer spectroscopy, X-ray single-crystal diffractometry, and electronic structure calculations on natural alexandrite

    NASA Astrophysics Data System (ADS)

    Weber, Sven-Ulf; Grodzicki, Michael; Lottermoser, Werner; Redhammer, Günther J.; Tippelt, Gerold; Ponahlo, Johann; Amthauer, Georg

    2007-09-01

    Natural alexandrite Al2BeO4:Cr from Malyshevo near Terem Tschanka, Sverdlovsk, Ural, Russia, has been characterized by 57Fe Mössbauer spectroscopy, electron microprobe, X-ray single-crystal diffractometry and by electronic structure calculations in order to determine oxidation state and location of iron. The sample contains 0.3 wt% of total iron oxide. The 57Fe Mössbauer spectrum can be resolved into three doublets. Two of them with hyperfine parameters typical for octahedrally coordinated high-spin Fe3+ and Fe2+, respectively, are assigned to iron substituting for Al in the octahedral M2-site. The third doublet is attributed to Fe3+ in hematite. Electronic structure calculations in the local spin density approximation are in reasonable agreement with experimental data provided that expansion and/or distortion of the coordination octahedra are presumed upon iron substitution. The calculated hyperfine parameters of Fe3+ are almost identical for the M1 and M2 positions, but the calculated ligand-field splitting is by far too large for high-spin Fe3+ on M1.

  7. Natural olivine crystal-fabrics in the western Pacific convergence region: A new method to identify fabric type

    NASA Astrophysics Data System (ADS)

    Michibayashi, Katsuyoshi; Mainprice, David; Fujii, Ayano; Uehara, Shigeki; Shinkai, Yuri; Kondo, Yusuke; Ohara, Yasuhiko; Ishii, Teruaki; Fryer, Patricia; Bloomer, Sherman H.; Ishiwatari, Akira; Hawkins, James W.; Ji, Shaocheng

    2016-06-01

    Crystallographic preferred orientations (CPOs) of olivine within natural peridotites are commonly depicted by pole figures for the [100], [010], and [001] axes, and they can be categorized into five well-known fabric types: A, B, C, D, and E. These fabric types can be related to olivine slip systems: A with (010)[100], B with (010)[001], C with (001)[001], D with {0kl}[100], and E with (001)[100]. In addition, an AG type is commonly found in nature, but its origin is controversial, and could involve several contributing factors such as complex slip systems, non-coaxial strain types, or the effects of melt during plastic flow. In this paper we present all of our olivine fabric database published previously as well as new data mostly from ocean floor, mainly for the convergent margin of the western Pacific region, and we introduce a new index named Fabric-Index Angle (FIA), which is related to the P-wave property of a single olivine crystal. The FIA can be used as an alternative to classifying the CPOs into the six fabric types, and it allows a set of CPOs to be expressed as a single angle in a range between -90° and 180°. The six olivine fabric types have unique values of FIA: 63° for A type, -28° for B type, 158° for C type, 90° for D type, 106° for E type, and 0° for AG type. We divided our olivine database into five tectonic groups: ophiolites, ridge peridotites, trench peridotites, peridotite xenoliths, and peridotites enclosed in high-pressure metamorphic rocks. Our results show that although our database is not yet large enough (except for trench peridotites) to define the characteristics of the five tectonic groups, the natural olivine fabrics vary in their range of FIA: 0° to 150° for the ophiolites, 40° to 80° for the ridge peridotites, -40° to 100° for the trench peridotites, 0° to 100° for the peridotite xenoliths, and -40° to 10° for the peridotites enclosed in high-pressure metamorphic rocks. The trench peridotites show a statistically

  8. Crystal clear

    NASA Astrophysics Data System (ADS)

    2012-02-01

    A semiconductor is usually opaque to any light whose photon energy is larger than the semiconductor bandgap. Nature Photonics spoke to Stephen Durbin about how to render GaAs semiconductor crystals transparent using intense X-ray pulses.

  9. Raman spectroscopic investigations on natural samples from the Integrated Ocean Drilling Program (IODP) Expedition 311: indications for heterogeneous compositions in hydrate crystals.

    PubMed

    Schicks, J M; Ziemann, M A; Lu, H; Ripmeester, J A

    2010-12-01

    Natural gas hydrates usually are found in the form of structure I, encasing predominantly methane in the hydrate lattices as guest molecules, sometimes also minor amount of higher hydrocarbons, CO2 or H2S. Raman spectroscopy is an approved tool to determine the composition of the hydrate phase. Thus, in this study Raman spectroscopic analyses have been applied to hydrate samples obtained from Integrated Ocean Drilling Program (IODP) Expedition 311 in two different approaches: studying the samples randomly taken from the hydrate core, and--as a new application--mapping small areas on the surface of clear hydrate crystals. The results obtained imply that the gas composition of hydrate, in terms of relative concentrations of CH4 and H2S, is not homogeneous over a core or even within a crystal. The mapping method yielded results with very high lateral resolution, indicating the coexistence of different phases with the same structure but different compositions within a hydrate crystal.

  10. Exploring the salt-cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering.

    PubMed

    Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R

    2017-07-01

    There has been significant recent interest in differentiating multicomponent solid forms, such as salts and cocrystals, and, where appropriate, in determining the position of the proton in the X-H⋯A-YX(-)⋯H-A(+)-Y continuum in these systems, owing to the direct relationship of this property to the clinical, regulatory and legal requirements for an active pharmaceutical ingredient (API). In the present study, solid forms of simple cocrystals/salts were investigated by high-field (700 MHz) solid-state NMR (ssNMR) using samples with naturally abundant (15)N nuclei. Four model compounds in a series of prototypical salt/cocrystal/continuum systems exhibiting {PyN⋯H-O-}/{PyN(+)-H⋯O(-)} hydrogen bonds (Py is pyridine) were selected and prepared. The crystal structures were determined at both low and room temperature using X-ray diffraction. The H-atom positions were determined by measuring the (15)N-(1)H distances through (15)N-(1)H dipolar interactions using two-dimensional inversely proton-detected cross polarization with variable contact-time (invCP-VC) (1)H→(15)N→(1)H experiments at ultrafast (νR ≥ 60-70 kHz) magic angle spinning (MAS) frequency. It is observed that this method is sensitive enough to determine the proton position even in a continuum where an ambiguity of terminology for the solid form often arises. This work, while carried out on simple systems, has implications in the pharmaceutical industry where the salt/cocrystal/continuum condition of APIs is considered seriously.

  11. Effect of Fe2O3 on the crystallization behavior of glass-ceramics produced from naturally cooled yellow phosphorus furnace slag

    NASA Astrophysics Data System (ADS)

    Liu, Hong-pan; Huang, Xiao-feng; Ma, Li-ping; Chen, Dan-li; Shang, Zhi-biao; Jiang, Ming

    2017-03-01

    CaO-Al2O3-SiO2 (CAS) glass-ceramics were prepared via a melting method using naturally cooled yellow phosphorus furnace slag as the main raw material. The effects of the addition of Fe2O3 on the crystallization behavior and properties of the prepared glass-ceramics were studied by differential thermal analysis, X-ray diffraction, and scanning electron microscopy. The crystallization activation energy was calculated using the modified Johnson-Mehl-Avrami equation. The results show that the intrinsic nucleating agent in the yellow phosphorus furnace slag could effectively promote the crystallization of CAS. The crystallization activation energy first increased and then decreased with increasing amount of added Fe2O3. At 4wt% of added Fe2O3, the crystallization activation energy reached a maximum of 676.374 kJ·mol-1. The type of the main crystalline phase did not change with the amount of added Fe2O3. The primary and secondary crystalline phases were identified as wollastonite (CaSiO3) and hedenbergite (CaFe(Si2O6)), respectively.

  12. Nature

    NASA Astrophysics Data System (ADS)

    Heinhorst, Sabine; Cannon, Gordon

    1997-01-01

    The fact that two of the original articles by this year's Nobel laureates were published in Nature bears witness to the pivotal role of this journal in documenting pioneering discoveries in all areas of science. The prize for Physiology or Medicine was awarded to immunologists Peter C. Doherty (University of Tennessee) and Rolf M. Zinkernagel (University of Zurich, Switzerland), honoring work that, in the 1970s, laid the foundation for our current understanding of the way in which our immune system differentiates between healthy cells and virus-infected ones that are targeted for destruction (p 465 in the October 10 issue of vol. 383). Three researchers share the Chemistry award for their discovery of C60 buckminsterfullerenes. The work by Robert Curl, Richard Smalley (both at Rice University), and Harry Kroto (University of Sussex, UK) has led to a burst of new approaches to materials development and in carbon chemistry (p 561 of the October 17 issue of vol. 383). This year's Nobel prize in physics went to three U.S. researchers, Douglas Osheroff (Stanford University) and David M. Lee and Robert C. Richardson (Cornell University), who were honored for their work on superfluidity, a frictionless liquid state, of supercooled 3He (p 562 of the October 17 issue of vol. 383).

  13. The nature of splitting of fullerene C{sub 70} polarized absorption bands in liquid-crystal matrices

    SciTech Connect

    Aver`yanov, E.M.

    1994-06-01

    The recently discovered splitting of polarized electronic absorption bands of fullerene C{sub 70} in uniaxial liquid-crystal matrices is shown to result from the spectral dependence of the polarization of these bands relative to the molecular coordinate system. 9 refs.

  14. The mechanism of self-reversal of thermoremanence in natural hemoilmenite crystals: new experimental data and model

    NASA Astrophysics Data System (ADS)

    Prévot, Michel; Hoffman, Kenneth A.; Goguitchaichvili, Avto; Doukhan, Jean-Claude; Shcherbakov, Valera; Bina, Mansour

    2001-10-01

    New magnetic and mineralogical findings on self-reversing hemoilmenite (Fe 2- y Ti yO 3) grains from Pinatubo lavas (1991 eruption) provide important clues regarding the acquisition process of reverse thermoremanent magnetization (rTRM) in this solid solution series. Magnetic force microscopy indicates the presence of multidomain magnetic structures in coexisting strongly and weakly magnetic crystallographic regions having compositions of y≅0.54 and 0.53, respectively. Continuous thermal demagnetization of natural and laboratory TRM carried out on both whole rock samples and single hemoilmenite crystals shows that the magnitude of a normal TRM (nTRM) component, observed at temperatures above the Curie point of the self-reversing phase, is much too large to be carried by a phase that is entirely cation-disordered. Consistent with this observation are findings using transmission electron microscopy (TEM) which, in contrast to that what is commonly assumed, reveals the weakly magnetic regions to be magnetically heterogeneous. Specifically, these regions are found to contain tiny (20-40 nm) domains that are cation-ordered and evidently ferrimagnetic dispersed within the cation-disordered, presumably spin-canted antiferromagnetic matrix. Given these findings, we argue that the so-called nTRM-carrying x-phase is itself partially cation-ordered, and, thus, ferrimagnetic, as postulated first by Ishikawa and Syono (J. Phys. Soc., Jpn. 17 (1962) 714). We propose a "nanophase" self-reversal model for the ilmenite-hematite solid solution series in which the rTRM and nTRM components are carried by the cores and margins, respectively, of the tiny, partially cation-ordered nano-sized domains observed by TEM. Due to the partial cation order, both the core and the margin of each domain are expected to behave in a ferrimagnetic fashion at temperatures below their respective Curie points. However, given the kinetics of the ordering process, their cation distributions need be

  15. Preparation and crystallization kinetics of new structurally well-defined star-shaped biodegradable poly(L-lactide)s initiated with diverse natural sugar alcohols.

    PubMed

    Hao, Qinghui; Li, Faxue; Li, Qiaobo; Li, Yang; Jia, Lin; Yang, Jing; Fang, Qiang; Cao, Amin

    2005-01-01

    This study presents syntheses, structural characterization, and crystallization kinetic investigation of new structurally well-defined star-shaped poly(l-lactide)s (PLLAs). First, a series of new 3- to 6-arm star-shaped PLLAs were synthesized through SnOct(2) catalyzed ring-opening polymerization of (l)-lactide with natural sugar alcohols of glycerol, erythritol, xylitol, and sorbitol as the favorable initiators. Subsequently, their chemical structures were characterized by means of GPC, NMR, and viscometer with respect to the star-shaped structures, demonstrating the well-defined arm structures as evidenced on the g(1/2)/g' values, where g and g' denote the ratios of mean-square radius of gyration and intrinsic viscosity of a star-shaped polymer to those of a linear structural reference with similar absolute molecular weight. Furthermore, spherulite morphologies and growth rates were studied by a polarized microscopy (POM) for the synthesized star-shaped PLLAs with different molecular weights, and it was found that the more arms of a star-shaped PLLA finally resulted in a lower spherulite growth rate. With regard to the crystallization kinetics of these star-shaped PLLAs, isothermal and nonisothermal crystallization were examined by differential scanning calorimeter (DSC). It was found that Avrami exponent n values of isothermal crystallization were almost independent of the isothermal crystallization temperature T(c) for different series of star-shaped PLLAs. In contrast, the values of Avrami exponent n were observed to strongly depend on the star-shaped structures with different arms, implying their distinct nucleation mechanisms, and the more arms of a star-shaped PLLA led to a slower isothermal crystallization rate. On the basis of a modified Avrami equation, new light was shed on the nonisothermal crystallization kinetics for the star-shaped PLLAs, and the activation energies were found to vary from 146.86 kJ/mol for the linear PLLA EG-3 to 221.23 kJ/mol of

  16. Crystal structure of extracellular domain of human lectin-like transcript 1 (LLT1), the ligand for natural killer receptor-P1A.

    PubMed

    Kita, Shunsuke; Matsubara, Haruki; Kasai, Yoshiyuki; Tamaoki, Takaharu; Okabe, Yuki; Fukuhara, Hideo; Kamishikiryo, Jun; Krayukhina, Elena; Uchiyama, Susumu; Ose, Toyoyuki; Kuroki, Kimiko; Maenaka, Katsumi

    2015-06-01

    Emerging evidence has revealed the pivotal roles of C-type lectin-like receptors (CTLRs) in the regulation of a wide range of immune responses. Human natural killer cell receptor-P1A (NKRP1A) is one of the CTLRs and recognizes another CTLR, lectin-like transcript 1 (LLT1) on target cells to control NK, NKT and Th17 cells. The structural basis for the NKRP1A-LLT1 interaction was limitedly understood. Here, we report the crystal structure of the ectodomain of LLT1. The plausible receptor-binding face of the C-type lectin-like domain is flat, and forms an extended β-sheet. The residues of this face are relatively conserved with another CTLR, keratinocyte-associated C-type lectin, which binds to the CTLR member, NKp65. A LLT1-NKRP1A complex model, prepared using the crystal structures of LLT1 and the keratinocyte-associated C-type lectin-NKp65 complex, reasonably satisfies the charge consistency and the conformational complementarity to explain a previous mutagenesis study. Furthermore, crystal packing and analytical ultracentrifugation revealed dimer formation, which supports a complex model. Our results provide structural insights for understanding the binding modes and signal transduction mechanisms, which are likely to be conserved in the CTLR family, and for further rational drug design towards regulating the LLT1 function. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Synchrotron X-ray Scattering; Sensile Strength and Strain-Induced Crystallization in Carbon Black Filled Natural Rubber

    SciTech Connect

    Toki,S.; Minouchi, N.; Sics, I.; Hsiao, B.; Kohjiya, S.

    2008-01-01

    The tensile strength of rubber depends on a combination of contributions, in particular on the finite extensibility of chain segments between network points and on strain-induced crystallization. In order to achieve high tensile strength at high strain at break, we optimized the composition and processing parameters to gain high molecular flexibility by the cure conditions, to acquire high flexibility of sulfur bridges by the accelerator, and to increase the modulus level without losing rubber molecule flexibility by carbon black. As a result, our formula performed a tensile strength of 42.5 MPa at 25 C under ISO-37, as officially measured by the Society of Rubber Industry, Japan, in 2004.

  18. Analysis of the nature of electrical conductivity in nominally undoped LiNbO{sub 3} crystals

    SciTech Connect

    Pritulenko, A. S. Yatsenko, A. V.; Yevdokimov, S. V.

    2015-03-15

    The temperature dependence of electrical conductivity and admittance of two nominally undoped lithium niobate crystals of congruent composition has been investigated in the temperature range of 293–450 K and simulated in the range of 350–700 K. It is shown that the ion conductivity at T < 450 K is mainly determined by OH{sup −} groups; however, some other mechanisms may manifest themselves at higher temperatures; a likely one is diffusion of oxygen vacancies, which leads to an increase in the “averaged” conductivity activation energy.

  19. The features of structure and isomorphic substitutions in flux-synthesized V-containing beryls and V-containing beryllian indialite

    SciTech Connect

    Mikhailov, M. A.; Rozhdestvenskaya, I. V.; Bannova, I. I.

    2011-11-15

    An X-ray diffraction study of isostructural V-containing beryl (V-Iz) and V-containing beryllian indialite (V-BI) (the general formula M{sub 2}{sup VI}T2{sub 3}{sup IV}T1{sub 6}{sup IV}O{sub 18}){sup 1} synthesized in the Al{sub 2}Be{sub 3}Si{sub 6}O{sub 18}-Mg,Ca/F,Cl flux system with V{sub 2}O{sub 5} impurity has been performed. It is shown for V-Iz that the isomorphic replacement of some part of Al{sup 3+} in the octahedron with larger V{sup 3+} and Mg{sup 2+} cations and a small fraction of Be{sup 2+} ions with Al{sup 3+} in the interring tetrahedron T2, as well as the introduction of alkaline ions into R voids, leads to an increase in the average bonds lengths in the M position and increases the unit-cell parameter a at an insignificant increase in the parameter c. In V-Bi, the heterovalent replacement of some part of Mg{sup 2+} ions by V{sup 3+} ions, with complex isomorphism in all structural positions, is accompanied by the isovalent Mg{sup 2+} {yields} Fe{sup 2+} scheme. These substitutions cause some decrease in the parameter c of V-Bi with the preservation of its parameter a. It is found that T1 tetrahedra in V-BI are much closer to ideal than in V-Iz, T2 tetrahedra are distorted much more weakly, and M octahedra are distorted somewhat more strongly. However, the degree of distortion of the ring tetrahedron T1 in V-BI reaches 0.9 rel. %. This fact indicates that V-BI and Cr-BI have a similar disposition to congruent melting, which significantly inferior that of 'pure' species.

  20. Nature of the magnetic ground state in the mixed valence compound CeRuSn: a single-crystal study.

    PubMed

    Fikáček, J; Prokleška, J; Prchal, J; Custers, J; Sechovský, V

    2013-10-16

    We report on detailed low-temperature measurements of the magnetization, the specific heat and the electrical resistivity on high-quality CeRuSn single crystals. The compound orders antiferromagnetically at T(N) = 2.8 K with the Ce(3+) ions locked within the a-c plane of the monoclinic structure. Magnetization shows that below T(N) CeRuSn undergoes a metamagnetic transition when applying a magnetic field of 1.5 and 0.8 T along the a- and c-axis, respectively. This transition manifests in a tremendous negative jump of ~25% in the magnetoresistance. The value of the saturated magnetization along the easy magnetization direction (c-axis) and the magnetic entropy above T(N) derived from specific heat data correspond to the scenario of only one third of the Ce ions in the compound being trivalent and carrying a stable Ce(3+) magnetic moment, whereas the other two thirds of the Ce ions are in a nonmagnetic tetravalent and/or mixed valence state. This is consistent with the low-temperature CeRuSn crystal structure i.e., a superstructure consisting of three unit cells of the CeCoAl type piled up along the c-axis, and in which the Ce(3+) ions are characterized by large distances from the Ru ligands while the Ce-Ru distances of the other Ce ions are much shorter causing a strong 4f-ligand hybridization and hence leading to tetravalent and/or mixed valence Ce ions.

  1. The Cloudy Crystal Ball: A Projection of the Nature of the University Counseling Center in the Year 2000.

    ERIC Educational Resources Information Center

    Maes, John L.

    The nature of counseling in the year 2000 will be determined more by developing social needs than by existing programs. Since the direction of social development is toward increasingly dynamic, complex, and potentially stressful times, counseling services must be responsive to such conditions. The university counselor of the future will need to be…

  2. A compact low cost "master-slave" double crystal monochromator for x-ray cameras calibration of the Laser MégaJoule Facility

    NASA Astrophysics Data System (ADS)

    Hubert, S.; Prévot, V.

    2014-12-01

    The Alternative Energies and Atomic Energy Commission (CEA-CESTA, France) built a specific double crystal monochromator (DCM) to perform calibration of x-ray cameras (CCD, streak and gated cameras) by means of a multiple anode diode type x-ray source for the MégaJoule Laser Facility. This DCM, based on pantograph geometry, was specifically modeled to respond to relevant engineering constraints and requirements. The major benefits are mechanical drive of the second crystal on the first one, through a single drive motor, as well as compactness of the entire device. Designed for flat beryl or Ge crystals, this DCM covers the 0.9-10 keV range of our High Energy X-ray Source. In this paper we present the mechanical design of the DCM, its features quantitatively measured and its calibration to finally provide monochromatized spectra displaying spectral purities better than 98%.

  3. At last! The single-crystal X-ray structure of a naturally occurring sample of the ilmenite-type oxide FeCrO3.

    PubMed

    Pérez-Cruz, María Ana; Elizalde-González, María de la Paz; Escudero, Roberto; Bernès, Sylvain; Silva-González, Rutilo; Reyes-Ortega, Yasmi

    2015-10-01

    A natural single crystal of the ferrimagnetic oxide FeCrO3, which was found in an opencast mine situated in the San Luis Potosí State in Mexico, has been characterized in order to elucidate some outstanding issues about the actual structure of this material. The single-crystal X-ray analysis unambiguously shows that transition metal cations are segregated in alternating layers normal to the threefold crystallographic axis, affording a structure isomorphous to that of ilmenite (FeTiO3), in the space group R3̅. The possible occurrence of cation antisite and vacancy defects is below the limit of detection available from X-ray data. Structural and magnetic results are in agreement with the coherent slow intergrowth of magnetic phases provided by the two antiferromagnetic corundum-type parent oxides Fe2O3 (hematite) and Cr2O3 (eskolaite). Our results are consistent with the most recent density functional theory (DFT) studies carried out on digital FeCrO3 [Sadat Nabi & Pentcheva (2011). Phys. Rev. B, 83, 214424], and suggest that synthetic samples of FeCrO3 might present a cation distribution different to that of the ilmenite structural type.

  4. Insight into solvent nature on coordination polymerization: Crystal structures of cadmium(II) chloride containing diallylbis(pyridin-4-yl)silane

    NASA Astrophysics Data System (ADS)

    Ryu, Minjoo; Lee, Young-A.; Jung, Ok-Sang

    2017-09-01

    A close insight into a systematic solvent-template effect on self-assembly of cadmium(II) chloride with new diallylbis(pyridin-4-yl)silane ligand (L) has been achieved. Each reaction gives rise to the 1: 2 composition of Cd(II): L, but shows significant solvent template effects on the formation of topology. The reaction in MeOH and in MeCN yields 1D loop chain, [CdCl2L2]·4MeOH and [CdCl2L2]·2MeCN, respectively, containing the solvate molecules whereas the same treatment in the relatively bulky solvents such as EtOH, n-PrOH, and i-PrOH yields interpenetrated 2D sheet, [CdCl2L2]. Their packing structures are also strongly depending on the nature of each solvent. Thus, construction and packing of each structure are determined by solvent templates rather than synthetic methodology. Solvate MeOH molecules of [CdCl2L2]·4MeOH crystals in MeCN media are perfectly exchanged to MeCN molecules and the solvate MeCN molecules of [CdCl2L2]·2MeCN crystals in MeOH media are exchanged into MeOH molecules as solvate, indicating that the solvate molecules do not interact significantly with the skeletal structures.

  5. Influence of non steady gravity on natural convection during micro-gravity solidification of semiconductors. I - Time scale analysis. II - Implications for crystal growth experiments

    NASA Technical Reports Server (NTRS)

    Griffin, P. R.; Motakef, S.

    1989-01-01

    Consideration is given to the influence of temporal variations in the magnitude of gravity on natural convection during unidirectional solidification of semiconductors. It is shown that the response time to step changes in g at low Rayleigh numbers is controlled by the momentum diffusive time scale. At higher Rayleigh numbers, the response time to increases in g is reduced because of inertial effects. The degree of perturbation of flow fields by transients in the gravitational acceleration on the Space Shuttle and the Space Station is determined. The analysis is used to derive the requirements for crystal growth experiments conducted on low duration low-g vehicles. Also, the effectiveness of sounding rockets and KC-135 aircraft for microgravity experiments is examined.

  6. Influence of non steady gravity on natural convection during micro-gravity solidification of semiconductors. I - Time scale analysis. II - Implications for crystal growth experiments

    NASA Technical Reports Server (NTRS)

    Griffin, P. R.; Motakef, S.

    1989-01-01

    Consideration is given to the influence of temporal variations in the magnitude of gravity on natural convection during unidirectional solidification of semiconductors. It is shown that the response time to step changes in g at low Rayleigh numbers is controlled by the momentum diffusive time scale. At higher Rayleigh numbers, the response time to increases in g is reduced because of inertial effects. The degree of perturbation of flow fields by transients in the gravitational acceleration on the Space Shuttle and the Space Station is determined. The analysis is used to derive the requirements for crystal growth experiments conducted on low duration low-g vehicles. Also, the effectiveness of sounding rockets and KC-135 aircraft for microgravity experiments is examined.

  7. Single-crystal elasticity of natural Fe-bearing orthoenstatite across a high-pressure phase transition

    NASA Astrophysics Data System (ADS)

    Zhang, Jin S.; Bass, Jay D.

    2016-08-01

    Sound velocities and elastic moduli have been measured on Fe-bearing orthoenstatite (OEN) single crystals up to 12 GPa by Brillouin spectroscopy. The ambient adiabatic bulk modulus (Ks0) and shear modulus (G0) are determined to be 113(1) GPa and 75.9(7) GPa, respectively. A fourth-order finite strain fit to the data yields pressure derivatives of Ks0' = 8.8(1), Ks0″ = -0.68(6), G0' = 2.9(1), and G0″ = -0.40(2). These values are significantly higher than those for other major mantle minerals up to 10.5 GPa but lower than some previous measurements on OEN. A pronounced increase of shear anisotropy was observed at a pressure of 12.06(9) GPa, coinciding with a phase transition from orthoenstatite to a recently discovered high-pressure phase with space group P21/c. A high-pressure phase transition in OEN is unlikely to be the cause of the X discontinuity in the 250-325 km depth range. Rather, a change in seismic anisotropy would be expected to accompany the orthoenstatite-to-P21/c phase transition in the upper mantle at greater depths.

  8. ESR study of p-type natural 2H-polytype MoS2 crystals: The As acceptor activity

    NASA Astrophysics Data System (ADS)

    Stesmans, A.; Iacovo, S.; Afanas'ev, V. V.

    2016-10-01

    Low-temperature (T = 1.7-77 K) multi frequency electron spin resonance (ESR) study on p-type 2H-polytype geological MoS2 crystals reveals p-type doping predominantly originating from As atoms substituting for S sites in densities of (2.4 ± 0.2) × 1017 cm-3. Observation of a "half field"(g ˜ 3.88) signal firmly correlating with the central Zeeman As accepter signal indicates the presence of spin S > ½ As agglomerates, which together with the distinct multicomponent makeup of the Zeeman signal points to manifest non-uniform As doping; only ˜13% of the total As response originates from individual decoupled As dopants. From ESR monitoring the latter vs. T, an activation energy Ea = (0.7 ± 0.2) meV is obtained. This unveils As as a noticeable shallow acceptor dopant, appropriate for realization of effective p-type doping in targeted 2D MoS2-based switching devices.

  9. The Growth of Naturally-Generated Small Fatigue Cracks in a Nickel-Base Single-Crystal Superalloy

    NASA Astrophysics Data System (ADS)

    Yandt, Scott A.

    An experimental and analytical study on the formation and growth small fatigue cracks embedded in a notch in single-crystal superalloy has been investigated. The experimental program consisted of 12 constant amplitude fatigue tests performed on single-edge notch (SEN) fatigue specimens oriented with the loading axis along [010] and with a notch factor of 2.7. The fatigue tests concentrated on one temperature (650°C) and loading condition with the secondary crystallographic orientation---the notch orientation---being the primary variable. Two secondary crystallographic orientations were considered in the present study, [101] and [100]. In the analytical study, the distribution of stresses and strains in the notch region and the stress-intensity factors and the elastic-plastic J-integral for Mode-I semi-elliptical surface cracks embedded at the notch root were investigated using the finite element method (FEM). The anisotropic material properties were shown to have a significant effect on both the stress and strain distribution in the notch region and the crack-tip parameters. The results of the experimental study have shown that fatigue cracks formation occurs via expansion of elliptical subsurface interdendritic pores located at high stress regions in the notch. Once the subsurface crack intersected the notch surface, subsequent crack growth occurred as semi-elliptical surface cracks. The secondary crystallographic orientation had a marked effect on crack-initiation life (the number of cycles to form a crack with a surface length of 760 mum) but no effect on small crack propagation behaviour. Crack initiation life predictions were made using a holistic lifing approach that considers the size, distribution and local stresses acting at the subsurface pores and utilizes the small fatigue crack growth data obtained from the experimental study. The predictions were found to agree reasonably well with the experimental test results and to account for the crack initiation

  10. Natural age dispersion arising from the analysis of broken crystals: Part II. Practical application to apatite (U-Th)/He thermochronometry

    NASA Astrophysics Data System (ADS)

    Beucher, Romain; Brown, Roderick W.; Roper, Steven; Stuart, Fin; Persano, Cristina

    2013-11-01

    We describe a new numerical inversion approach to deriving thermal history information from a range of naturally dispersed single grain apatite (U-Th)/He ages. The approach explicitly exploits the information about the shape of the 4He diffusion profile within individual grains that is inherent in the pattern of dispersion that arises from the common and routine practice of analysing broken crystals. Additional dispersion arising from differences in grain size and in U and Th concentration of grains, and the resultant changes to helium diffusivity caused by differential accumulation and annealing of radiation damage, is explicitly included. In this approach we calculate the ingrowth and loss, due to both thermal diffusion and the effects of α-ejection, of helium over time using a finite cylinder geometry. Broken grains are treated explicitly as fragments of an initially larger crystal. The initial grain lengths, L0, can be treated as unknown parameters to be estimated, although this is computationally demanding. A practical solution to the problem of solving for the unknown initial grain lengths is to simply apply a constant and sufficiently long L0 value to each fragment. We found that a good value for L0 was given by the maximum fragment length plus two times the maximum radius of a given set of fragments. Currently whole crystals and fragments with one termination are taken into account. A set of numerical experiments using synthetic fragment ages generated for increasingly complex thermal histories, and including realistic amounts of random noise (5-15%), are presented and show that useful thermal history information can be extracted from datasets showing very large dispersion. These include experiments where dispersion arises only from fragmentation of a single grain (length 400 μm and radius 75 μm, c. 6-50% dispersion), including the effects of grain size variation (for spherical equivalent grain radii between 74 and 122 μm, c. 10-70% dispersion) and the

  11. Effects of the amino acid sequence on thermal conduction through β-sheet crystals of natural silk protein.

    PubMed

    Zhang, Lin; Bai, Zhitong; Ban, Heng; Liu, Ling

    2015-11-21

    Recent experiments have discovered very different thermal conductivities between the spider silk and the silkworm silk. Decoding the molecular mechanisms underpinning the distinct thermal properties may guide the rational design of synthetic silk materials and other biomaterials for multifunctionality and tunable properties. However, such an understanding is lacking, mainly due to the complex structure and phonon physics associated with the silk materials. Here, using non-equilibrium molecular dynamics, we demonstrate that the amino acid sequence plays a key role in the thermal conduction process through β-sheets, essential building blocks of natural silks and a variety of other biomaterials. Three representative β-sheet types, i.e. poly-A, poly-(GA), and poly-G, are shown to have distinct structural features and phonon dynamics leading to different thermal conductivities. A fundamental understanding of the sequence effects may stimulate the design and engineering of polymers and biopolymers for desired thermal properties.

  12. Natural age dispersion arising from the analysis of broken crystals. Part I: Theoretical basis and implications for the apatite (U-Th)/He thermochronometer

    NASA Astrophysics Data System (ADS)

    Brown, Roderick W.; Beucher, Romain; Roper, Steven; Persano, Cristina; Stuart, Fin; Fitzgerald, Paul

    2013-12-01

    Over the last decade major progress has been made in developing both the theoretical and practical aspects of apatite (U-Th)/He thermochronometry and it is now standard practice, and generally seen as best practice, to analyse single grain aliquots. These individual prismatic crystals are often broken and are fragments of larger crystals that have broken during mineral separation along the weak basal cleavage in apatite. This is clearly indicated by the common occurrence of only 1 or no clear crystal terminations present on separated apatite grains, and evidence of freshly broken ends when grains are viewed using a scanning electron microscope. This matters because if the 4He distribution within the whole grain is not homogeneous, because of partial loss due to thermal diffusion for example, then the fragments will all yield ages different from each other and from the whole grain age. Here we use a numerical model with a finite cylinder geometry to approximate 4He ingrowth and thermal diffusion within hexagonal prismatic apatite crystals. This is used to quantify the amount and patterns of inherent, natural age dispersion that arises from analysing broken crystals. A series of systematic numerical experiments were conducted to explore and quantify the pattern and behaviour of this source of dispersion using a set of 5 simple thermal histories that represent a range of plausible geological scenarios. In addition some more complex numerical experiments were run to investigate the pattern and behaviour of grain dispersion seen in several real data sets. The results indicate that natural dispersion of a set of single fragment ages (defined as the range divided by the mean) arising from fragmentation alone varies from c. 7% even for rapid (c. 10 °C/Ma), monotonic cooling to over 50% for protracted, complex histories that cause significant diffusional loss of 4He. The magnitude of dispersion arising from fragmentation scales with the grain cylindrical radius, and is of

  13. Crystal structure of a glycosylated Fab from an IgM cryoglobulin with properties of a natural proteolytic antibody.

    PubMed

    Ramsland, Paul A; Terzyan, Simon S; Cloud, Gwendolyn; Bourne, Christina R; Farrugia, William; Tribbick, Gordon; Geysen, H Mario; Moomaw, Carolyn R; Slaughter, Clive A; Edmundson, Allen B

    2006-05-01

    The 2.6 A (1 A=0.1 nm) resolution structure has been determined for the glycosylated Fab (fragment antigen binding) of an IgM (Yvo) obtained from a subject with Waldenström's macroglobulinaemia. Dynamic light scattering was used to estimate the gel point and monitor the formation of an ordered hydroscopic gel of Yvo IgM upon cooling. If a cryoglobulin forms gels in peripheral tissues and organs, the associated swelling and damage to microvasculature can result in considerable morbidity and mortality. The three-dimensional structure of the branched N-linked oligosaccharide associated with the CH1 domain (first constant domain of heavy chain) is reported. The carbohydrate may act to shield part of the lateral surface of the CH1 domain and crowd the junction between the CH1 and CH2 domains, thereby limiting the segmental flexibility of the Fab arms in intact Yvo IgM, especially at low temperatures. Recently, Yvo IgM was shown to have the properties of a naturally occurring proteolytic antibody [Paul, Karle, Planque, Taguchi, Salas, Nishiyama, Handy, Hunter, Edmundson and Hanson (2004) J. Biol. Chem. 279, 39611-39619; Planque, Bangale, Song, Karle, Taguchi, Poindexter, Bick, Edmundson, Nishiyama and Paul (2004) J. Biol Chem. 279, 14024-14032]. The Yvo protein displayed the ability to cleave, by a nucleophilic mechanism, the amide bonds of a variety of serine protease substrates and the gp120 coat protein of HIV. An atypical serine, arginine and glutamate motif is located in the middle of the Yvo antigen-binding site and displays an overall geometry that mimics the classical serine, histidine and aspartate catalytic triad of serine proteases. Our present findings indicate that pre-existing or natural antibodies can utilize at least one novel strategy for the cleavage of peptide bonds.

  14. Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2

    PubMed Central

    Oberthür, Dominik; Achenbach, John; Gabdulkhakov, Azat; Buchner, Klaus; Maasch, Christian; Falke, Sven; Rehders, Dirk; Klussmann, Sven; Betzel, Christian

    2015-01-01

    We report the crystal structure of a 40mer mirror-image RNA oligonucleotide completely built from nucleotides of the non-natural L-chirality in complex with the pro-inflammatory chemokine L-CLL2 (monocyte chemoattractant protein-1), a natural protein composed of regular L-amino acids. The L-oligonucleotide is an L-aptamer (a Spiegelmer) identified to bind L-CCL2 with high affinity, thereby neutralizing the chemokine's activity. CCL2 plays a key role in attracting and positioning monocytes; its overexpression in several inflammatory diseases makes CCL2 an interesting pharmacological target. The PEGylated form of the L-aptamer, NOX-E36 (emapticap pegol), already showed promising efficacy in clinical Phase II studies conducted in diabetic nephropathy patients. The structure of the L-oligonucleotide·L-protein complex was solved and refined to 2.05 Å. It unveils the L-aptamer's intramolecular contacts and permits a detailed analysis of its structure–function relationship. Furthermore, the analysis of the intermolecular drug–target interactions reveals insight into the selectivity of the L-aptamer for certain related chemokines. PMID:25901662

  15. Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2

    NASA Astrophysics Data System (ADS)

    Oberthür, Dominik; Achenbach, John; Gabdulkhakov, Azat; Buchner, Klaus; Maasch, Christian; Falke, Sven; Rehders, Dirk; Klussmann, Sven; Betzel, Christian

    2015-04-01

    We report the crystal structure of a 40mer mirror-image RNA oligonucleotide completely built from nucleotides of the non-natural L-chirality in complex with the pro-inflammatory chemokine L-CLL2 (monocyte chemoattractant protein-1), a natural protein composed of regular L-amino acids. The L-oligonucleotide is an L-aptamer (a Spiegelmer) identified to bind L-CCL2 with high affinity, thereby neutralizing the chemokine's activity. CCL2 plays a key role in attracting and positioning monocytes; its overexpression in several inflammatory diseases makes CCL2 an interesting pharmacological target. The PEGylated form of the L-aptamer, NOX-E36 (emapticap pegol), already showed promising efficacy in clinical Phase II studies conducted in diabetic nephropathy patients. The structure of the L-oligonucleotide.L-protein complex was solved and refined to 2.05 Å. It unveils the L-aptamer's intramolecular contacts and permits a detailed analysis of its structure-function relationship. Furthermore, the analysis of the intermolecular drug-target interactions reveals insight into the selectivity of the L-aptamer for certain related chemokines.

  16. Anisotropy in the thermal hysteresis of resistivity and charge density wave nature of single crystal SrFeO3-δ: X-ray absorption and photoemission studies.

    PubMed

    Hsieh, S H; Solanki, R S; Wang, Y F; Shao, Y C; Lee, S H; Yao, C H; Du, C H; Wang, H T; Chiou, J W; Chin, Y Y; Tsai, H M; Chen, J-L; Pao, C W; Cheng, C-M; Chen, W-C; Lin, H J; Lee, J F; Chou, F C; Pong, W F

    2017-12-01

    The local electronic and atomic structures of the high-quality single crystal of SrFeO3-δ (δ~0.19) were studied using temperature-dependent x-ray absorption and valence-band photoemission spectroscopy (VB-PES) to investigate the origin of anisotropic resistivity in the ab-plane and along the c-axis close to the region of thermal hysteresis (near temperature for susceptibility maximum, Tm~78 K). All experiments herein were conducted during warming and cooling processes. The Fe L 3,2-edge X-ray linear dichroism results show that during cooling from room temperature to below the transition temperature, the unoccupied Fe 3d e g states remain in persistently out-of-plane 3d 3z(2)-r(2) orbitals. In contrast, in the warming process below the transition temperature, they change from 3d 3z(2)-r(2) to in-plane 3d x(2)-y(2) orbitals. The nearest-neighbor (NN) Fe-O bond lengths also exhibit anisotropic behavior in the ab-plane and along the c-axis below Tm. The anisotropic NN Fe-O bond lengths and Debye-Waller factors stabilize the in-plane Fe 3d x(2)-y(2) and out-of-plane 3d 3z(2)-r(2) orbitals during warming and cooling, respectively. Additionally, a VB-PES study further confirms that a relative band gap opens at low temperature in both the ab-plane and along the c-axis, providing the clear evidence of the charge-density-wave nature of SrFeO3-δ (δ~0.19) single crystal.

  17. Characterisation of a natural quartz crystal as a reference material for microanalytical determination of Ti, Al, Li, Fe, Mn, Ga and Ge

    USGS Publications Warehouse

    Audetat, Andreas; Garbe-Schonberg, Dieter; Kronz, Andreas; Pettke, Thomas; Rusk, Brian G.; Donovan, John J.; Lowers, Heather

    2015-01-01

    A natural smoky quartz crystal from Shandong province, China, was characterised by laser ablation ICP-MS, electron probe microanalysis (EPMA) and solution ICP-MS to determine the concentration of twenty-four trace and ultra trace elements. Our main focus was on Ti quantification because of the increased use of this element for titanium-in-quartz (TitaniQ) thermobarometry. Pieces of a uniform growth zone of 9 mm thickness within the quartz crystal were analysed in four different LA-ICP-MS laboratories, three EPMA laboratories and one solution-ICP-MS laboratory. The results reveal reproducible concentrations of Ti (57 ± 4 μg g-1), Al (154 ± 15 μg g-1), Li (30 ± 2 μg g-1), Fe (2.2 ± 0.3 μg g-1), Mn (0.34 ± 0.04 μg g-1), Ge (1.7 ± 0.2 μg g-1) and Ga (0.020 ± 0.002 μg g-1) and detectable, but less reproducible, concentrations of Be, B, Na, Cu, Zr, Sn and Pb. Concentrations of K, Ca, Sr, Mo, Ag, Sb, Ba and Au were below the limits of detection of all three techniques. The uncertainties on the average concentration determinations by multiple techniques and laboratories for Ti, Al, Li, Fe, Mn, Ga and Ge are low; hence, this quartz can serve as a reference material or a secondary reference material for microanalytical applications involving the quantification of trace elements in quartz.

  18. Crystal structure and theoretical study of IR and 1H and 13C NMR spectra of cordatin, a natural product with antiulcerogenic activity

    NASA Astrophysics Data System (ADS)

    Brasil, Davi S. B.; Alves, Cláudio N.; Guilhon, Giselle M. S. P.; Muller, Adolfo H.; Secco, Ricardo De S.; Peris, Gabriel; Llusar, Rosa

    Cordatin is a furan diterpenoid with a clerodane skeleton isolated from Croton palanostigma Klotzsch (Euphorbiaceae). This natural product shows significant antiulcerogenic activity, similar to cimetidine (Tagamet®), a compound used for the treatment of peptic ulcers. The crystal structure of cordatin was obtained by X-ray diffraction and its geometrical parameters were compared with theoretical calculations at the B3LYP theory level. The IR and NMR (1H and 13C chemical shifts and coupling constants) spectra were obtained and compared with the theoretical calculations. The B3LYP theory level, with the 6-31G(d,p) and 6-311G(d,p) basis set, provided IR absorption values close to the experimental data. Moreover, theoretical NMR parameters obtained in both gas phase and chloroform solvent at the B3PW91/DGDZVP, B3LYP/6-311+G(2d,p), and B3PW91/6-311+G(2d,p) levels showed good correlations with the experimental results.

  19. On the use of laser induced breakdown spectroscopy to characterize the naturally existing crystal in Pakistan and its optical emission spectrum

    NASA Astrophysics Data System (ADS)

    Iqbal, Javed; Mahmood, S.; Tufail, Iram; Asghar, H.; Ahmed, R.; Baig, M. A.

    2015-09-01

    We have used the Laser Induced Breakdown Spectroscopic (LIBS) technique to qualitatively identify the naturally existing transparent crystal as a pure quartz (SiO2) by observing its optical emission spectra using a Q-switched Nd:YAG laser, fundamental wavelength at 1064 nm and second harmonic at 532 nm. The spectra were registered using a set of five miniature spectrometers covering the spectral range from 200 nm to 720 nm. The plasma temperature has been calculated in the range from 8500 K to 10,200 K and the electron densities determined from the Stark broadened spectral lines in the range of 1.0 × 1017 cm- 3 to 6.0 × 1017 cm- 3. We report here the full widths at maximum of the spectral lines associated with the 3p4s 3P0,1,2 → 3p23P0,1,2, 1S0, 1D2 transitions in Si and four multiplets of singly ionized silicon.

  20. The lead acceptor in p-type natural 2H-polytype MoS2 crystals evidenced by electron paramagnetic resonance

    NASA Astrophysics Data System (ADS)

    Iacovo, S.; Stesmans, A.; Houssa, M.; Afanas'ev, V. V.

    2017-03-01

    A low-temperature (T  =  1.5-8 K) electron paramagnetic resonance study of p-type 2H-polytype natural MoS2 crystals reveals a previously unreported anisotropic signal of corresponding defect density (spin S  =  ½) ~5  ×  1014 cm-3. For the applied magnetic field B//c-axis, the response is comprised of a single central asymmetric Zeeman peak at zero-crossing g  =  2.102(1), amid a symmetrically positioned hyperfine doublet of splitting 6.6(2) G. Field angular observations reveal a two-branch g pattern, indicative of a defect of lower than axial symmetry, likely orthorhombic (C 2v). Based on the signal specifics, it is ascribed to a system of decoupled Pb impurities substituting for Mo, the defect operating as an acceptor, with estimated thermal activation energy  >10 meV. Supporting theoretical anticipation, the results pinpoint the conduct of the Pb impurity in layered MoS2.

  1. Crystal Creations.

    ERIC Educational Resources Information Center

    Whipple, Nona; Whitmore, Sherry

    1989-01-01

    Presents a many-faceted learning approach to the study of crystals. Provides instructions for performing activities including crystal growth and patterns, creating miniature simulations of crystal-containing rock formations, charcoal and sponge gardens, and snowflakes. (RT)

  2. Crystal Creations.

    ERIC Educational Resources Information Center

    Whipple, Nona; Whitmore, Sherry

    1989-01-01

    Presents a many-faceted learning approach to the study of crystals. Provides instructions for performing activities including crystal growth and patterns, creating miniature simulations of crystal-containing rock formations, charcoal and sponge gardens, and snowflakes. (RT)

  3. Crystal Meth

    MedlinePlus

    ... from Other Parents Stories of Hope Crystal meth Crystal meth Story of Hope by giovanni January 3, ... about my drug addiction having to deal with Crystal meth. I am now in recovery and fighting ...

  4. Crystal Meth

    MedlinePlus

    ... Navigation Home / Stories of Hope / Crystal meth Crystal meth Story Of Hope By giovanni January 3rd, 2013 ... my drug addiction having to deal with Crystal meth. I am now in recovery and fighting my ...

  5. Comparison of the inhibitory capacity of two groups of pure natural extract on the crystallization of two types of material compound urinary stones in vitro study

    NASA Astrophysics Data System (ADS)

    Beghalia, Mohamed; Ghalem, Said; Allali, Hocine

    2015-10-01

    Urolithiasis is defined as the result of an abnormal precipitation within the urinary tract. This precipitation is most often from the normal constituents of the urine. This is a fairly common condition in the population. She is happy and recurrent etiology is often unknown if hypothetical. In Algeria, as in many countries, a large number of patients use herbal medicines in the treatment of their diseases including urolithiasis. Thus the aim of this study is the most widely used to evaluate the effectiveness of aqueous extracts of medicinal plants, in the treatment of calcium urolithiasis oxalo-and magnesium-amoniaco in vitro. The study also examines the effect of these extracts on the states of crystallization (nucleation, crystal growth, crystal aggregation), followed by photography on polarized light microscope.In this regard, we are devoted to studying the crystallization steps from oxalo-calcium and phospho-calcic prepared as artificial urine and supersaturated aqueous solutions, maintained at 37 °C to remain close to biological conditions. Extracts of the first group of herbs: Ammodaucus leucotrichus, Ajuga iva, Globularia alypum, Atriplex halimus are studied on the crystallization calcium oxalate, we cite the Ammodaucus leucotrichus which acts on the stages of nucleation, growth and the aggregation with a total inhibition. The second group of extracts plants tested on calcium phosphate crystallization : Acacia raddiana, Citrullus colocynthis, Rhus tripartita, Pistacia lentiscu, Warionia saharae, are able to significantly reduce phosphate crystallization in vitro. It is easily proved by FTIR and optical microscope. In conclusion the results of our work allows us to confirm the use of these plants as an aqueous decoction, in the field of urolithiasis. These activities may help to strengthen the body in depressed situations.

  6. Inferring the effects of compositional boundary layers on crystal nucleation, growth textures, and mineral chemistry in natural volcanic tephras through submicron-resolution imaging

    NASA Astrophysics Data System (ADS)

    Zellmer, Georg; Sakamoto, Naoya; Hwang, Shyh-Lung; Matsuda, Nozomi; Iizuka, Yoshiyuki; Moebis, Anja; Yurimoto, Hisayoshi

    2016-09-01

    Crystal nucleation and growth are first order processes captured in volcanic rocks and record important information about the rates of magmatic processes and chemical evolution of magmas during their ascent and eruption. We have studied glass-rich andesitic tephras from the Central Plateau of the Southern Taupo Volcanic Zone by electron- and ion-microbeam imaging techniques to investigate down to sub-micrometre scale the potential effects of compositional boundary layers (CBLs) of melt around crystals on the nucleation and growth of mineral phases and the chemistry of crystal growth zones. We find that CBLs may influence the types of mineral phases nucleating and growing, and growth textures such as the development of swallowtails. The chemistry of the CBLs also has the capacity to trigger intermittent overgrowths of nanometre-scale bands of different phases in rapidly growing crystals, resulting in what we refer to as cryptic phase zoning. The existence of cryptic phase zoning has implications for the interpretation of microprobe compositional data, and the resulting inferences made on the conditions of magmatic evolution. Identification of cryptic phase zoning may in future lead to more accurate thermobarometric estimates and thus geospeedometric constraints. In future, a more quantitative characterization of CBL formation and its effects on crystal nucleation and growth may contribute to a better understanding of melt rheology and magma ascent processes at the onset of explosive volcanic eruptions, and will likely be of benefit to hazard mitigation efforts.

  7. Axion crystals

    NASA Astrophysics Data System (ADS)

    Ozaki, Sho; Yamamoto, Naoki

    2017-08-01

    The low-energy effective theories for gapped insulators are classified by three parameters: permittivity ɛ, permeability μ, and theta angle θ. Crystals with periodic ɛ are known as photonic crystals. We here study the band structure of photons in a new type of crystals with periodic θ (modulo 2 π) in space, which we call the axion crystals. We find that the axion crystals have a number of new properties that the usual photonic crystals do not possess, such as the helicity-dependent mass gap and nonrelativistic gapless dispersion relation at small momentum. We briefly discuss possible realizations of axion crystals in condensed matter systems and high-energy physics.

  8. Determining Magma Mixing Duration Prior to the 1915 Eruption of Lassen Peak, California by Comparing Experimental Growth of Reaction Rims and Natural Olivine Crystals in Black Dacite

    NASA Astrophysics Data System (ADS)

    Graham, N. A.; Schwab, B. E.; Castro, J. M.; Clynne, M. A.

    2015-12-01

    Lassen Peak, located in northern California, last erupted in 1915 producing hybrid black dacite containing xenocrystic olivine grains with morphologically complex reaction rims of orthopyroxene. These rims are interpreted to have grown during magma mixing/mingling of admixed basaltic andesite and dacite reservoir magma prior to eruption. Reaction rim growth rates were determined from a series of hydrothermal experiments performed on starting materials consisting of powdered natural dacite pumice from the 1915 eruption and ~5 wt. % of Fo85 olivine separated from a spinel lherzolite xenolith (UM-5) from Kilbourne Hole, NM to constrain the length of time between magma recharge and eruption. Time series experiments were performed with run durations of 50, 100, 200, 400, and 600 hours at 50 and 100 MPa, 825oC and 875oC. The experiments produced a range in reaction rim growth rates where rim thickness generally increased with time. Average rim growth rate for each series is as follows: 0.031 μm²h-1 for 50 MPa at 825oC, 0.010 μm²h-1 for 50 MPa at 875oC, 0.158 μm²h-1 for 100 MPa at 825oC, and 0.088 μm²h-1 for 100 MPa at 875oC. Overall, the 100 MPa experiments resulted in faster growth rates and thicker reaction rims than the 50 MPa experiments. At a given pressure, the higher temperature (875 oC) experiments show slower average growth rates, but thicker reaction rims than the 825oC equivalents. This suggests that growth rate is not constant over time, but likely is more rapid at the early stages of the experiments/heating event, and then slows over time. Reaction rim widths on 100 olivine grains from samples of black dacite were determined by analysis of SEM BSE images and average 26.1 ± 21.7 μm. This average rim width corresponds to a range of mixing durations of 5.8 months (100 MPa, 825oC) to 93 months (50 MPa, 875oC). Average reaction duration of 10.6 months (at 100 MPa, 875oC) is most consistent with our previous experimental work on the 1915 dacite. Reaction

  9. X-ray calibration of the time resolved crystal spectrometer SXDHR-1t of the Ligne d'Integration Laser

    SciTech Connect

    Reverdin, C.; Morlens, A.S.; Angelier, B.; Bourgade, J.L.; Boutin, J.Y.; Briat, M.; Charles, G.; Duval, A.; Estadieu, A.; Cholet, C.; Gontier, D.; Husson, D.; Jacquet, H.P.; LeBreton, J. P.; Lidove, G.; Marchet, B.; Marmoret, R.; Maroni, R.; Millier, P.; Raimbourg, J.

    2004-10-01

    The time resolved crystal x-ray spectrometers called SXDHR-lt of the Ligne d'Integration laser is presented. It is necessary to calibrate all x-ray sensitive elements of diagnostics before using them in laser matter interaction experiments. In particular, crystals need to be calibrated. Measurements of the integrated coefficient of reflection of a beryl cylindrical crystal used in this spectrometer were performed with synchrotron radiation and with an x-ray tube and are presented. A test of the homogeneity of the reflection of the crystal was also performed. Aging or accidental pollution of x-ray diagnostics installed around target chambers is always possible. This happened to the DMX broadband spectrometer installed on the OMEGA Laser Facility at the University of Rochester (Laboratory for Laser Energetics) and this changed the spectral sensitivity of its channels. The evolution over time of the x-ray sensitivity needs to be critically assessed and if necessary x-ray sensitive elements will need to be recalibrated.

  10. Bioengineered magnetic crystals

    NASA Astrophysics Data System (ADS)

    Kasyutich, O.; Sarua, A.; Schwarzacher, W.

    2008-07-01

    In this paper we report on the successful application of a protein crystallization technique to fabricate a three-dimensionally ordered array of magnetic nanoparticles, i.e. a novel type of metamaterial with unique magnetic properties. We utilize ferritin protein cages for the template-constrained growth of superparamagnetic nanoparticles of magnetite/maghemite Fe3O4-γ-Fe2O3 (magnetoferritin), followed by thorough nanoparticle bioprocessing and purification, and finally by protein crystallization. Protein crystallization is driven by the natural response of proteins to the supersaturation of the electrolyte, which leads to spontaneous nucleation and 3D crystal growth. Within a short period of time (hours to days) we were able to grow functional crystals on the meso-scale, with sizes of the order of tens, up to a few hundred micrometres. We present initial magnetic and Raman spectroscopy characterization results for the obtained 3D arrays of magnetic nanoparticles.

  11. Hypersonic phononic crystals.

    PubMed

    Gorishnyy, T; Ullal, C K; Maldovan, M; Fytas, G; Thomas, E L

    2005-03-25

    In this Letter we propose the use of hypersonic phononic crystals to control the emission and propagation of high frequency phonons. We report the fabrication of high quality, single crystalline hypersonic crystals using interference lithography and show that direct measurement of their phononic band structure is possible with Brillouin light scattering. Numerical calculations are employed to explain the nature of the observed propagation modes. This work lays the foundation for experimental studies of hypersonic crystals and, more generally, phonon-dependent processes in nanostructures.

  12. Heat capacities and thermodynamic functions for beryl, Be3Al2Si6O18, phenakite, Be2SiO4, euclase, BeAlSiO4(OH), bertrandite, Be4Si2O7(OH)2, and chrysoberyl, BeAl2O4.

    USGS Publications Warehouse

    Hemingway, B.S.; Barton, M.D.; Robie, R.A.; Haselton, H.T.

    1986-01-01

    The heat capacities of beryl, phenakite, euclase and bertrandite have been measured between approx 5 and 800 K by combined quasi-adiabatic cryogenic calorimetry and differential scanning calorimetry. The heat capacities of chrysoberyl have been measured from 340 to 800 K. The resulting data have been combined with solution and phase-equilibrium experimental data and simultaneously adjusted using the programme PHAS20 to provide an internally consistent set of thermodynamic properties for several important beryllium phases. The experimental heat capacities and tables of derived thermodynamic properties are presented.-J.A.Z.

  13. Virtual Crystallizer

    SciTech Connect

    Land, T A; Dylla-Spears, R; Thorsness, C B

    2006-08-29

    Large dihydrogen phosphate (KDP) crystals are grown in large crystallizers to provide raw material for the manufacture of optical components for large laser systems. It is a challenge to grow crystal with sufficient mass and geometric properties to allow large optical plates to be cut from them. In addition, KDP has long been the canonical solution crystal for study of growth processes. To assist in the production of the crystals and the understanding of crystal growth phenomena, analysis of growth habits of large KDP crystals has been studied, small scale kinetic experiments have been performed, mass transfer rates in model systems have been measured, and computational-fluid-mechanics tools have been used to develop an engineering model of the crystal growth process. The model has been tested by looking at its ability to simulate the growth of nine KDP boules that all weighed more than 200 kg.

  14. Mass spectrometry and photoelectron spectroscopy of tetracene cluster anions, (tetracene)n- (n = 1-100): evidence for the highly localized nature of polarization in a cluster analogue of oligoacene crystals.

    PubMed

    Mitsui, Masaaki; Ando, Naoto; Nakajima, Atsushi

    2007-10-04

    Photoelectron spectroscopy of tetracene cluster anions, (tetracene)n- (n = 1-100), reveals the coexistence of two types of isomers, designated as isomers I and II-1 (n = 10-50) or isomers I and II-2 (n > 60), in a wide size range. The vertical detachment energies (VDEs) of isomer I increase persistently due to polarization and structural relaxation effects, where a monomeric anion core is encompassed with geometrically reorganized neutral molecules. Conversely, a characteristic ion distribution in the mass spectrum of (tetracene)n-ensues from the two-dimensional (2D) herringbone-type ordering of isomer II-1, whose VDEs remain constant at 1.80 eV for n >/= 14. Also, isomer II-2, presumably adopting multilayered structural motifs, exhibits invariable VDEs of 2.0 eV, a manifestation of significant charge screening effects in these isomers. The invariable nature of the VDEs of isomers II-1 and II-2 unambiguously demonstrates a largely localized nature of polarization induced by the excess charge residing in microscopic crystal-like environments. Surprisingly, only 14 tetracene molecules within a 2D herringbone-type layer including an excess charge can provide the charge stabilization energy corresponding to approximately 80% of that of the crystal, and the rest of the energy is provided by polarization of neutral molecules in adjacent layers.

  15. Crystal growing

    NASA Technical Reports Server (NTRS)

    Neville, J. P.

    1990-01-01

    One objective is to demonstrate the way crystals grow and how they affect the behavior of material. Another objective is to compare the growth of crystals in metals and nonmetals. The procedures, which involve a supersaturated solution of a salt that will separate into crystals on cooling and the pouring off of an eutectic solution to expose the crystals formed by a solid solution when an alloy of two metals forms a solid and eutectic solution on cooling, are described.

  16. Unifying the crystallization behavior of hexagonal and square crystals with the phase-field-crystal model

    NASA Astrophysics Data System (ADS)

    Tao, Yang; Zheng, Chen; Jing, Zhang; Yongxin, Wang; Yanli, Lu

    2016-03-01

    By employing the phase-field-crystal models, the atomic crystallization process of hexagonal and square crystals is investigated with the emphasis on the growth mechanism and morphological change. A unified regime describing the crystallization behavior of both crystals is obtained with the thermodynamic driving force varying. By increasing the driving force, both crystals (in the steady-state) transform from a faceted polygon to an apex-bulged polygon, and then into a symmetric dendrite. For the faceted polygon, the interface advances by a layer-by-layer (LL) mode while for the apex-bulged polygonal and the dendritic crystals, it first adopts the LL mode and then transits into the multi-layer (ML) mode in the later stage. In particular, a shift of the nucleation sites from the face center to the area around the crystal tips is detected in the early growth stage of both crystals and is rationalized in terms of the relation between the crystal size and the driving force distribution. Finally, a parameter characterizing the complex shape change of square crystal is introduced. Project supported by the National Natural Science Foundation of China (Grant Nos. 54175378, 51474176, and 51274167), the Natural Science Foundation of Shaanxi Province, China (Grant No. 2014JM7261), and the Doctoral Foundation Program of Ministry of China (Grant No. 20136102120021).

  17. Orientation-dependent x-ray Raman scattering from cubic crystals: Natural linear dichroism in MnO and CeO2

    NASA Astrophysics Data System (ADS)

    Gordon, R. A.; Haverkort, M. W.; Gupta, Subhra Sen; Sawatzky, G. A.

    2009-11-01

    Information on valence orbitals and electronic interactions in single crystal systems can be obtained through orientation-dependent x-ray measurements, but this can be problematic for a cubic system. Polarisation-dependent x-ray absorption measurements are common, but are dominated by dipole transitions which, for a cubic system, are isotropic even though a cubic system is not. Many edges, particularly for transition metals, do have electric quadrupole features that could lead to dichroism but proximity to the dipole transition can make interpretation challenging. X-ray Raman Spectroscopy (XRS) can also be used to perform orientation-dependent near-edge measurements - not only dependent on the direction of the momentum transfer but also its magnitude, q. Previous XRS measurements on polycrystalline materials revealed that multipole (higher order than dipole) transitions are readily observable in the pre-threshold region of rare earth N4,5 edges, actually replacing the dipole at high-q. We have extended these studies to examine orientation-dependent XRS for CeO2 and MnO single crystals, as prototype systems for theoretical treatment. Dichroism is observed at both the Ce N4,5 and Mn M2,3 edges in these cubic materials.

  18. Crystallization behavior of anorthite

    NASA Technical Reports Server (NTRS)

    Klein, L.; Uhlmann, D. R.

    1974-01-01

    The growth rate of anorthite crystals from the melt is studied as a function of temperature with undercooling in the ranges 52-152 and 402-652 degrees C. The triclinic form is invariably observed as the crystallization product, growth is preferentially in the c direction, and the interface morphology is faceted. Significant growth rate anisotropy is indicated. The maximum growth rate of anorthite from the melt is higher than for anorthite-rich lunar compositions. Recent computer studies are combined with experimental data to estimate the heat of fusion of anorthite as 28000-45000 cal/mol; the corresponding range for entropy of fusion is (7.8-12)R (where R is the gas constant). The observations and kinetic data support Jackson's predictions concerning materials with large entropies of fusion and his suggestion that entropy of fusion is an important parameter for characterizing the crystal-liquid interface and the nature of the crystallization process.

  19. Apoferritin crystals

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Dr. Alexander Chernov, of the Universities Space Research Association (USRA) and based at Marshall Space Flight Center, is investigating why protein crystals grown in space are, in about 20 percent of cases, better-ordered than those grown on the ground. They are testing the idea that the amount of impurities trapped by space-grown crystals may be different than the amount trapped by crystals grown on Earth because convection is negligible in microgravity. The concentrations or impurities in many space-grown crystals turned out to be several times lower than that in the terrestrial ones, sometimes below the detection limit. The ground-based experiment also showed that the amount of impurities per unit volume of the crystals was usually higher than the amount per unit volume of the solution. This means that a growing crystal actually purifies the solution in its immediate vicinity. Here, an impurity depletion zone is created around apoferritin crystals grown in gel, imitating microgravity conditions.

  20. Apoferritin crystals

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Dr. Alexander Chernov, of the Universities Space Research Association (USRA) and based at Marshall Space Flight Center, is investigating why protein crystals grown in space are, in about 20 percent of cases, better-ordered than those grown on the ground. They are testing the idea that the amount of impurities trapped by space-grown crystals may be different than the amount trapped by crystals grown on Earth because convection is negligible in microgravity. The concentrations or impurities in many space-grown crystals turned out to be several times lower than that in the terrestrial ones, sometimes below the detection limit. The ground-based experiment also showed that the amount of impurities per unit volume of the crystals was usually higher than the amount per unit volume of the solution. This means that a growing crystal actually purifies the solution in its immediate vicinity. Here, an impurity depletion zone is created around apoferritin crystals grown in gel, imitating microgravity conditions.

  1. Exploring the nature of low-lying excited-states in molecular crystals from many-body perturbation theory beyond the Tamm-Dancoff Approximation

    NASA Astrophysics Data System (ADS)

    Rangel, Tonatiuh; Sharifzadeh, Sahar; Rinn, Andre; da Jornada, Felipe H.; Shao, Meiyue; Witte, Gregor; Yang, Chao; Louie, Steven G.; Chatterjee, Sangaam; Kronik, Leeor; Neaton, Jeffrey B.

    Organic semiconductors have attracted attention due to their potential for optoelectronics and novel phenomena, such as singlet fission. Here, we use many-body perturbation theory to simulate neutral excitations in acene and perylene crystals. By diagonalizing the full Bethe-Salpether (BSE) Hamiltonian beyond the Tamm Dancoff approximation (TDA), we find that both low-lying excitation energies and oscillator strengths are in improved agreement with experiments relative to the TDA. We characterize the low-lying excitons, focusing in the degree of charge-transfer and spatial delocalization, connecting their relevance to singlet fission. For perylene, we find overall good agreement with absorption measurements, and we see evidence for the formation of an ``exciton-polariton'' band in β-perylene. This work is supported by the DOE.

  2. Crystal structure of hereditary vitamin D-resistant rickets--associated mutant H305Q of vitamin D nuclear receptor bound to its natural ligand.

    PubMed

    Rochel, Natacha; Hourai, Shinji; Moras, Dino

    2010-07-01

    In the nuclear receptor of vitamin D (VDR) histidine 305 participates to the anchoring of the ligand. The VDR H305Q mutation was identified in a patient who exhibited the hereditary vitamin D-resistant rickets (HVDRR). We report the crystal structure of human VDR H305Q-ligand binding domain bound to 1alpha,25(OH)2D3 solved at 1.8A resolution. The protein adopts the active conformation of the wild-type liganded VDR. A local conformational flexibility at the mutation site weakens the hydrogen bond between the 25-OH with Gln305, thus explaining the lower affinity of the mutant proteins for calcitriol. The structure provides the basis for a rational approach to the design of more potent ligands for the treatment of HVDRR.

  3. Soliton assisted control of source to drain electron transport along natural channels - crystallographic axes - in two-dimensional triangular crystal lattices

    NASA Astrophysics Data System (ADS)

    Chetverikov, A. P.; Ebeling, W.; Velarde, M. G.

    2016-09-01

    We present computational evidence of the possibility of fast, supersonic or subsonic, nearly loss-free ballistic-like transport of electrons bound to lattice solitons (a form of electron surfing on acoustic waves) along crystallographic axes in two-dimensional anharmonic crystal lattices. First we study the structural changes a soliton creates in the lattice and the time lapse of recovery of the lattice. Then we study the behavior of one electron in the polarization field of one and two solitons with crossing pathways with suitably monitored delay. We show how an electron surfing on a lattice soliton may switch to surf on the second soliton and hence changing accordingly the direction of its path. Finally we discuss the possibility to control the way an excess electron proceeds from a source at a border of the lattice to a selected drain at another border by following appropriate straight pathways on crystallographic axes.

  4. Ferroindialite (Fe2+,Mg)2Al4Si5O18, a new beryl-group mineral from the Eifel volcanic region, Germany

    NASA Astrophysics Data System (ADS)

    Chukanov, N. V.; Aksenov, S. M.; Pekov, I. V.; Ternes, B.; Schüller, W.; Belakovskiy, D. I.; Van, K. V.; Blass, G.

    2014-12-01

    A new mineral, ferroindialite, a Fe2+-dominant analog of indialite, has been found in a pyrometamorphosed xenolith of pelitic rock hosted in alkaline basalts. Associated minerals are phlogopite, sanidine, sillimanite, pyroxenes of the enstatite-ferrosilite series, wagnerite, fluorapatite, tridymite, zircon and almandine. Ferroindialite forms brown-purple to gray with a violet-blue tint short prismatic or thick tabular hexagonal crystals up to 1.5 mm in size. The new mineral is brittle, with a Mohs' hardness of 7. Cleavage is not observed. D meas = 2.66(1), D calc = 2.667 g/cm3. IR spectrum shows neither H2O nor OH groups. Ferroindialite is anomalously biaxial (-), α = 1.539(2), β = 1.552(2), γ = 1.554(2), 2 V meas = 30(10)°. The mineral is weakly pleochroic, ranging from colorless on X to pale violet on Z. Dispersion is weak, r < v. The chemical composition (electron microprobe, mean of five point analyses, wt %) is as follows: 0.14 Na2O, 0.46 K2O, 4.95 MgO, 1.13 MnO, 12.66 FeO, 2.64 Fe2O3, 30.45 Al2O3, 47.22 SiO2, total is 99.65. The distribution of total iron content between Fe2+ and Fe3+ was carried out according to structural data. The empirical formula of ferroindialite is: (K0.06Na0.03)(Fe{1.12/2+}Mg0.78Mn0.10)Σ2.00(Al3.79Fe{0.21/3+})Σ4.00Si4.98O18. The simplified formula is: (Fe2+,Mg)2Al4Si5O18. The crystal structure has been refined on a single crystal, R = 0.049. Ferroindialite is hexagonal, space group P6/ mcc; a = 9.8759(3), c = 9.3102(3) Å, V = 786.40(3) Å3, Z = 2. The strongest lines in the X-ray powder diffraction pattern [ d, Å ( I, %) ( hkl)] are: 8.59 (100) (100), 4.094 (27) (102), 3.390 (35) (112), 3.147 (19) (202), 3.055 (31) (211), 2.657 (12) (212), 1.695 (9) (224). The type specimen of ferroindialite is deposited in the Fersman Mineralogical Museum, Russian Academy of Sciences, Moscow, registration number 4400/1.

  5. Lysozyme Crystal

    NASA Technical Reports Server (NTRS)

    2004-01-01

    To the crystallographer, this may not be a diamond but it is just as priceless. A Lysozyme crystal grown in orbit looks great under a microscope, but the real test is X-ray crystallography. The colors are caused by polarizing filters. Proteins can form crystals generated by rows and columns of molecules that form up like soldiers on a parade ground. Shining X-rays through a crystal will produce a pattern of dots that can be decoded to reveal the arrangement of the atoms in the molecules making up the crystal. Like the troops in formation, uniformity and order are everything in X-ray crystallography. X-rays have much shorter wavelengths than visible light, so the best looking crystals under the microscope won't necessarily pass muster under the X-rays. In order to have crystals to use for X-ray diffraction studies, crystals need to be fairly large and well ordered. Scientists also need lots of crystals since exposure to air, the process of X-raying them, and other factors destroy them. Growing protein crystals in space has yielded striking results. Lysozyme's structure is well known and it has become a standard in many crystallization studies on Earth and in space.

  6. Dispersion in photonic crystals

    NASA Astrophysics Data System (ADS)

    Witzens, Jeremy

    2005-11-01

    Investigations on the dispersive properties of photonic crystals, modified scattering in ring-resonators, monolithic integration of vertical-cavity surface-emitting lasers and advanced data processing techniques for the finite-difference time-domain method are presented. Photonic crystals are periodic mesoscopic arrays of scatterers that modify the propagation properties of electromagnetic waves in a similar way as "natural" crystals modify the properties of electrons in solid-state physics. In this thesis photonic crystals are implemented as planar photonic crystals, i.e., optically thin semiconductor films with periodic arrays of holes etched into them, with a hole-to-hole spacing of the order of the wavelength of light in the dielectric media. Photonic crystals can feature forbidden frequency ranges (the band-gaps) in which light cannot propagate. Even though most work on photonic crystals has focused on these band-gaps for application such as confinement and guiding of light, this thesis focuses on the allowed frequency regions (the photonic bands) and investigates how the propagation of light is modified by the crystal lattice. In particular the guiding of light in bulk photonic crystals in the absence of lattice defects (the self-collimation effect) and the angular steering of light in photonic crystals (the superprism effect) are investigated. The latter is used to design a planar lightwave circuit for frequency domain demultiplexion. Difficulties such as efficient insertion of light into the crystal are resolved and previously predicted limitations on the resolution are circumvented. The demultiplexer is also fabricated and characterized. Monolithic integration of vertical-cavity surface-emitting lasers by means of resonantly enhanced grating couplers is investigated. The grating coupler is designed to bend light through a ninety-degree angle and is characterized with the finite-difference time-domain method. The vertical-cavity surface-emitting lasers are

  7. RNA Crystallization

    NASA Technical Reports Server (NTRS)

    Golden, Barbara L.; Kundrot, Craig E.

    2003-01-01

    RNA molecules may be crystallized using variations of the methods developed for protein crystallography. As the technology has become available to syntheisize and purify RNA molecules in the quantities and with the quality that is required for crystallography, the field of RNA structure has exploded. The first consideration when crystallizing an RNA is the sequence, which may be varied in a rational way to enhance crystallizability or prevent formation of alternate structures. Once a sequence has been designed, the RNA may be synthesized chemically by solid-state synthesis, or it may be produced enzymatically using RNA polymerase and an appropriate DNA template. Purification of milligram quantities of RNA can be accomplished by HPLC or gel electrophoresis. As with proteins, crystallization of RNA is usually accomplished by vapor diffusion techniques. There are several considerations that are either unique to RNA crystallization or more important for RNA crystallization. Techniques for design, synthesis, purification, and crystallization of RNAs will be reviewed here.

  8. RNA Crystallization

    NASA Technical Reports Server (NTRS)

    Golden, Barbara L.; Kundrot, Craig E.

    2003-01-01

    RNA molecules may be crystallized using variations of the methods developed for protein crystallography. As the technology has become available to syntheisize and purify RNA molecules in the quantities and with the quality that is required for crystallography, the field of RNA structure has exploded. The first consideration when crystallizing an RNA is the sequence, which may be varied in a rational way to enhance crystallizability or prevent formation of alternate structures. Once a sequence has been designed, the RNA may be synthesized chemically by solid-state synthesis, or it may be produced enzymatically using RNA polymerase and an appropriate DNA template. Purification of milligram quantities of RNA can be accomplished by HPLC or gel electrophoresis. As with proteins, crystallization of RNA is usually accomplished by vapor diffusion techniques. There are several considerations that are either unique to RNA crystallization or more important for RNA crystallization. Techniques for design, synthesis, purification, and crystallization of RNAs will be reviewed here.

  9. Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Chernov, Alexander A.

    2005-01-01

    Nucleation, growth and perfection of protein crystals will be overviewed along with crystal mechanical properties. The knowledge is based on experiments using optical and force crystals behave similar to inorganic crystals, though with a difference in orders of magnitude in growing parameters. For example, the low incorporation rate of large biomolecules requires up to 100 times larger supersaturation to grow protein, rather than inorganic crystals. Nucleation is often poorly reproducible, partly because of turbulence accompanying the mixing of precipitant with protein solution. Light scattering reveals fluctuations of molecular cluster size, its growth, surface energies and increased clustering as protein ages. Growth most often occurs layer-by-layer resulting in faceted crystals. New molecular layer on crystal face is terminated by a step where molecular incorporation occurs. Quantitative data on the incorporation rate will be discussed. Rounded crystals with molecularly disordered interfaces will be explained. Defects in crystals compromise the x-ray diffraction resolution crucially needed to find the 3D atomic structure of biomolecules. The defects are immobile so that birth defects stay forever. All lattice defects known for inorganics are revealed in protein crystals. Contribution of molecular conformations to lattice disorder is important, but not studied. This contribution may be enhanced by stress field from other defects. Homologous impurities (e.g., dimers, acetylated molecules) are trapped more willingly by a growing crystal than foreign protein impurities. The trapped impurities induce internal stress eliminated in crystals exceeding a critical size (part of mni for ferritin, lysozyme). Lesser impurities are trapped from stagnant, as compared to the flowing, solution. Freezing may induce much more defects unless quickly amorphysizing intracrystalline water.

  10. Nature of red luminescence band in research-grade ZnO single crystals: A “self-activated” configurational transition

    SciTech Connect

    Chen, Y. N.; Xu, S. J. Zheng, C. C.; Ning, J. Q.; Ling, F. C. C.; Anwand, W.; Brauer, G.; Skorupa, W.

    2014-07-28

    By implanting Zn{sup +} ions into research-grade intentionally undoped ZnO single crystal for facilitating Zn interstitials (Zn{sub i}) and O vacancies (V{sub O}) which is revealed by precise X-Ray diffraction rocking curves, we observe an apparent broad red luminescence band with a nearly perfect Gaussian lineshape. This red luminescence band has the zero phonon line at ∼2.4 eV and shows distinctive lattice temperature dependence which is well interpreted with the configurational coordinate model. It also shows a low “kick out” thermal energy and small thermal quenching energy. A “self-activated” optical transition between a shallow donor and the defect center of Zn{sub i}-V{sub O} complex or V{sub Zn}V{sub O} di-vacancies is proposed to be responsible for the red luminescence band. Accompanied with the optical transition, large lattice relaxation simultaneously occurs around the center, as indicated by the generation of multiphonons.

  11. Crystal structure of the UvrB dimer: insights into the nature and functioning of the UvrAB damage engagement and UvrB–DNA complexes

    PubMed Central

    Webster, Matthew P. J.; Jukes, Rachael; Zamfir, Vlad S.; Kay, Christopher W. M.; Bagnéris, Claire; Barrett, Tracey

    2012-01-01

    UvrB has a central role in the highly conserved UvrABC pathway functioning not only as a damage recognition element but also as an essential component of the lesion tracking machinery. While it has been recently confirmed that the tracking assembly comprises a UvrA2B2 heterotetramer, the configurations of the damage engagement and UvrB–DNA handover complexes remain obscure. Here, we present the first crystal structure of a UvrB dimer whose biological significance has been verified using both chemical cross-linking and electron paramagnetic resonance spectroscopy. We demonstrate that this dimeric species stably associates with UvrA and forms a UvrA2B2–DNA complex. Our studies also illustrate how signals are transduced between the ATP and DNA binding sites to generate the helicase activity pivotal to handover and formation of the UvrB2–DNA complex, providing key insights into the configurations of these important repair intermediates. PMID:22753105

  12. Structural basis for the inhibition of M1 family aminopeptidases by the natural product actinonin: Crystal structure in complex with E. coli aminopeptidase N

    PubMed Central

    Ganji, Roopa Jones; Reddi, Ravikumar; Gumpena, Rajesh; Marapaka, Anil Kumar; Arya, Tarun; Sankoju, Priyanka; Bhukya, Supriya; Addlagatta, Anthony

    2015-01-01

    Actinonin is a pseudotripeptide that displays a high affinity towards metalloproteases including peptide deformylases (PDFs) and M1 family aminopeptidases. PDF and M1 family aminopeptidases belong to thermolysin-metzincin superfamily. One of the major differences in terms of substrate binding pockets between these families is presence (in M1 aminopeptidases) or absence (in PDFs) of an S1 substrate pocket. The binding mode of actinonin to PDFs has been established previously; however, it is not clear how the actinonin, without a P1 residue, would bind to the M1 aminopeptidases. Here we describe the crystal structure of Escherichia coli aminopeptidase N (ePepN), a model protein of the M1 family aminopeptidases in complex with actinonin. For comparison we have also determined the structure of ePepN in complex with a well-known tetrapeptide inhibitor, amastatin. From the comparison of the actinonin and amastatin ePepN complexes, it is clear that the P1 residue is not critical as long as strong metal chelating head groups, like hydroxamic acid or α-hydroxy ketone, are present. Results from this study will be useful for the design of selective and efficient hydroxamate inhibitors against M1 family aminopeptidases. PMID:25644575

  13. Structural basis for the inhibition of M1 family aminopeptidases by the natural product actinonin: Crystal structure in complex with E. coli aminopeptidase N.

    PubMed

    Ganji, Roopa Jones; Reddi, Ravikumar; Gumpena, Rajesh; Marapaka, Anil Kumar; Arya, Tarun; Sankoju, Priyanka; Bhukya, Supriya; Addlagatta, Anthony

    2015-05-01

    Actinonin is a pseudotripeptide that displays a high affinity towards metalloproteases including peptide deformylases (PDFs) and M1 family aminopeptidases. PDF and M1 family aminopeptidases belong to thermolysin-metzincin superfamily. One of the major differences in terms of substrate binding pockets between these families is presence (in M1 aminopeptidases) or absence (in PDFs) of an S1 substrate pocket. The binding mode of actinonin to PDFs has been established previously; however, it is not clear how the actinonin, without a P1 residue, would bind to the M1 aminopeptidases. Here we describe the crystal structure of Escherichia coli aminopeptidase N (ePepN), a model protein of the M1 family aminopeptidases in complex with actinonin. For comparison we have also determined the structure of ePepN in complex with a well-known tetrapeptide inhibitor, amastatin. From the comparison of the actinonin and amastatin ePepN complexes, it is clear that the P1 residue is not critical as long as strong metal chelating head groups, like hydroxamic acid or α-hydroxy ketone, are present. Results from this study will be useful for the design of selective and efficient hydroxamate inhibitors against M1 family aminopeptidases.

  14. Synchrotron X-ray topographic study on nature of threading mixed dislocations in 4H-SiC crystals grown by PVT method

    NASA Astrophysics Data System (ADS)

    Guo, Jianqiu; Yang, Yu; Wu, Fangzhen; Sumakeris, Joe; Leonard, Robert; Goue, Ouloide; Raghothamachar, Balaji; Dudley, Michael

    2016-10-01

    Synchrotron X-ray Topography is a powerful technique to study defects structures particularly dislocation configurations in single crystals. Complementing this technique with geometrical and contrast analysis can enhance the efficiency of quantitatively characterizing defects. In this study, the use of Synchrotron White Beam X-ray Topography (SWBXT) to determine the line directions of threading dislocations in 4H-SiC axial slices (sample cut parallel to the growth axis from the boule) is demonstrated. This technique is based on the fact that the projected line directions of dislocations on different reflections are different. Another technique also discussed is the determination of the absolute Burgers vectors of threading mixed dislocations (TMDs) using Synchrotron Monochromatic Beam X-ray Topography (SMBXT). This technique utilizes the fact that the contrast from TMDs varies on SMBXT images as their Burgers vectors change. By comparing observed contrast with the contrast from threading dislocations provided by Ray Tracing Simulations, the Burgers vectors can be determined. Thereafter the distribution of TMDs with different Burgers vectors across the wafer is mapped and investigated.

  15. Synchrotron X-ray topographic study on nature of threading mixed dislocations in 4H–SiC crystals grown by PVT method

    SciTech Connect

    Guo, Jianqiu; Yang, Yu; Wu, Fangzhen; Sumakeris, Joe; Leonard, Robert; Goue, Ouloide; Raghothamachar, Balaji; Dudley, Michael

    2016-10-01

    Synchrotron X-ray Topography is a powerful technique to study defects structures particularly dislocation configurations in single crystals. Complementing this technique with geometrical and contrast analysis can enhance the efficiency of quantitatively characterizing defects. In this study, the use of Synchrotron White Beam X-ray Topography (SWBXT) to determine the line directions of threading dislocations in 4H–SiC axial slices (sample cut parallel to the growth axis from the boule) is demonstrated. This technique is based on the fact that the projected line directions of dislocations on different reflections are different. Another technique also discussed is the determination of the absolute Burgers vectors of threading mixed dislocations (TMDs) using Synchrotron Monochromatic Beam X-ray Topography (SMBXT). This technique utilizes the fact that the contrast from TMDs varies on SMBXT images as their Burgers vectors change. By comparing observed contrast with the contrast from threading dislocations provided by Ray Tracing Simulations, the Burgers vectors can be determined. Thereafter the distribution of TMDs with different Burgers vectors across the wafer is mapped and investigated.

  16. Computational crystallization

    PubMed Central

    Altan, Irem; Charbonneau, Patrick; Snell, Edward H.

    2016-01-01

    Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed. PMID:26792536

  17. Computational crystallization.

    PubMed

    Altan, Irem; Charbonneau, Patrick; Snell, Edward H

    2016-07-15

    Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed.

  18. Crystallization mechanisms of acicular crystals

    NASA Astrophysics Data System (ADS)

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

    2008-01-01

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

  19. 1α,25(OH)2-3-Epi-Vitamin D3, a Natural Physiological Metabolite of Vitamin D3: Its Synthesis, Biological Activity and Crystal Structure with Its Receptor

    PubMed Central

    Molnár, Ferdinand; Sigüeiro, Rita; Sato, Yoshiteru; Araujo, Clarisse; Schuster, Inge; Antony, Pierre; Peluso, Jean; Muller, Christian; Mouriño, Antonio; Moras, Dino; Rochel, Natacha

    2011-01-01

    Background The 1α,25-dihydroxy-3-epi-vitamin-D3 (1α,25(OH)2-3-epi-D3), a natural metabolite of the seco-steroid vitamin D3, exerts its biological activity through binding to its cognate vitamin D nuclear receptor (VDR), a ligand dependent transcription regulator. In vivo action of 1α,25(OH)2-3-epi-D3 is tissue-specific and exhibits lowest calcemic effect compared to that induced by 1α,25(OH)2D3. To further unveil the structural mechanism and structure-activity relationships of 1α,25(OH)2-3-epi-D3 and its receptor complex, we characterized some of its in vitro biological properties and solved its crystal structure complexed with human VDR ligand-binding domain (LBD). Methodology/Principal Findings In the present study, we report the more effective synthesis with fewer steps that provides higher yield of the 3-epimer of the 1α,25(OH)2D3. We solved the crystal structure of its complex with the human VDR-LBD and found that this natural metabolite displays specific adaptation of the ligand-binding pocket, as the 3-epimer maintains the number of hydrogen bonds by an alternative water-mediated interaction to compensate the abolished interaction with Ser278. In addition, the biological activity of the 1α,25(OH)2-3-epi-D3 in primary human keratinocytes and biochemical properties are comparable to 1α,25(OH)2D3. Conclusions/Significance The physiological role of this pathway as the specific biological action of the 3-epimer remains unclear. However, its high metabolic stability together with its significant biologic activity makes this natural metabolite an interesting ligand for clinical applications. Our new findings contribute to a better understanding at molecular level how natural metabolites of 1α,25(OH)2D3 lead to significant activity in biological systems and we conclude that the C3-epimerization pathway produces an active metabolite with similar biochemical and biological properties to those of the 1α,25(OH)2D3. PMID:21483824

  20. The discovery of X-rays diffraction: From crystals to DNA. A case study to promote understanding of the nature of science and of its interdisciplinary character

    NASA Astrophysics Data System (ADS)

    Guerra, Francesco; Leone, Matteo; Robotti, Nadia

    2016-05-01

    The advantages of introducing history of science topics into the teaching of science has been advocated by a large number of scholars within the science education community. One of the main reasons given for using history of science in teaching is its power to promote understanding of the nature of science (NOS). In this respect, the historical case of X-rays diffraction, from the discovery of Max von Laue (1912) to the first X-rays diffraction photographs of DNA (1953), is a case in point for showing that a correct experimental strategy and a favourable theoretical context are not enough to make a scientific discovery.

  1. Crystal Data

    National Institute of Standards and Technology Data Gateway

    SRD 3 NIST Crystal Data (PC database for purchase)   NIST Crystal Data contains chemical, physical, and crystallographic information useful to characterize more than 237,671 inorganic and organic crystalline materials. The data include the standard cell parameters, cell volume, space group number and symbol, calculated density, chemical formula, chemical name, and classification by chemical type.

  2. Chemical Analysis of Reaction Rims on Olivine Crystals in Natural Samples of Black Dacite Using Energy-Dispersive X-Ray Spectroscopy, Lassen Peak, CA.

    NASA Astrophysics Data System (ADS)

    Graham, N. A.

    2014-12-01

    Lassen Volcanic Center is the southernmost volcanic region in the Cascade volcanic arc formed by the Cascadia Subduction Zone. Lassen Peak last erupted in 1915 in an arc related event producing a black dacite material containing xenocrystic olivine grains with apparent orthopyroxene reaction rims. The reaction rims on these olivine grains are believed to have formed by reactions that ensued from a mixing/mingling event that occurred prior to eruption between the admixed mafic andesitic magma and a silicic dacite host material. Natural samples of the 1915 black dacite from Lassen Peak, CA were prepared into 15 polished thin sections and carbon coated for analysis using a FEI Quanta 250 Scanning Electron Microscope (SEM) to identify and measure mineral textures and disequilibrium reaction rims. Observed mineralogical textures related to magma mixing include biotite and amphibole grains with apparent dehydration/breakdown rims, pyroxene-rimmed quartz grains, high concentration of microlites in glass matrix, and pyroxene/amphibole reaction rims on olivine grains. Olivine dissolution is evidenced as increased iron concentration toward convolute edges of olivine grains as observed by Backscatter Electron (BSE) imagery and elemental mapping using NSS spectral imaging software. In an attempt to quantify the area of reaction rim growth on olivine grains within these samples, high-resolution BSE images of 30 different olivine grains were collected along with Energy-Dispersive X-Ray Spectroscopy (EDS) of different phases. Olivine cores and rims were extracted from BSE images using Photoshop and saved as separate image files. ImageJ software was used to calculate the area (μm2) of the core and rim of these grains. Average pyroxene reaction rim width for 30 grains was determined to be 11.68+/-1.65 μm. Rim widths of all 30 grains were averaged together to produce an overall average rim width for the Lassen Peak black dacite. By quantifying the reaction rims on olivine grains

  3. Molecular Crystals

    NASA Astrophysics Data System (ADS)

    Wright, John D.

    1995-02-01

    This book describes the chemical and physical structure of molecular crystals, their optical and electronic properties, and the reactions between neighboring molecules in crystals. In the second edition, the author has taken into account research that has undergone extremely rapid development since the first edition was published in 1987. For instance, he gives extensive coverage to the applications of molecular materials in high-technology devices (e.g. optical communications, laser printers, photocopiers, liquid crystal displays, solar cells, and more). There is also an entirely new chapter on the recently discovered Buckminsterfullerene carbon molecule (C60) and organic non-linear optic materials.

  4. Non-Destructive Study of Bulk Crystallinity and Elemental Composition of Natural Gold Single Crystal Samples by Energy-Resolved Neutron Imaging

    PubMed Central

    Tremsin, Anton S.; Rakovan, John; Shinohara, Takenao; Kockelmann, Winfried; Losko, Adrian S.; Vogel, Sven C.

    2017-01-01

    Energy-resolved neutron imaging enables non-destructive analyses of bulk structure and elemental composition, which can be resolved with high spatial resolution at bright pulsed spallation neutron sources due to recent developments and improvements of neutron counting detectors. This technique, suitable for many applications, is demonstrated here with a specific study of ~5–10 mm thick natural gold samples. Through the analysis of neutron absorption resonances the spatial distribution of palladium (with average elemental concentration of ~0.4 atom% and ~5 atom%) is mapped within the gold samples. At the same time, the analysis of coherent neutron scattering in the thermal and cold energy regimes reveals which samples have a single-crystalline bulk structure through the entire sample volume. A spatially resolved analysis is possible because neutron transmission spectra are measured simultaneously on each detector pixel in the epithermal, thermal and cold energy ranges. With a pixel size of 55 μm and a detector-area of 512 by 512 pixels, a total of 262,144 neutron transmission spectra are measured concurrently. The results of our experiments indicate that high resolution energy-resolved neutron imaging is a very attractive analytical technique in cases where other conventional non-destructive methods are ineffective due to sample opacity. PMID:28102285

  5. Non-Destructive Study of Bulk Crystallinity and Elemental Composition of Natural Gold Single Crystal Samples by Energy-Resolved Neutron Imaging

    NASA Astrophysics Data System (ADS)

    Tremsin, Anton S.; Rakovan, John; Shinohara, Takenao; Kockelmann, Winfried; Losko, Adrian S.; Vogel, Sven C.

    2017-01-01

    Energy-resolved neutron imaging enables non-destructive analyses of bulk structure and elemental composition, which can be resolved with high spatial resolution at bright pulsed spallation neutron sources due to recent developments and improvements of neutron counting detectors. This technique, suitable for many applications, is demonstrated here with a specific study of ~5–10 mm thick natural gold samples. Through the analysis of neutron absorption resonances the spatial distribution of palladium (with average elemental concentration of ~0.4 atom% and ~5 atom%) is mapped within the gold samples. At the same time, the analysis of coherent neutron scattering in the thermal and cold energy regimes reveals which samples have a single-crystalline bulk structure through the entire sample volume. A spatially resolved analysis is possible because neutron transmission spectra are measured simultaneously on each detector pixel in the epithermal, thermal and cold energy ranges. With a pixel size of 55 μm and a detector-area of 512 by 512 pixels, a total of 262,144 neutron transmission spectra are measured concurrently. The results of our experiments indicate that high resolution energy-resolved neutron imaging is a very attractive analytical technique in cases where other conventional non-destructive methods are ineffective due to sample opacity.

  6. Non-Destructive Study of Bulk Crystallinity and Elemental Composition of Natural Gold Single Crystal Samples by Energy-Resolved Neutron Imaging.

    PubMed

    Tremsin, Anton S; Rakovan, John; Shinohara, Takenao; Kockelmann, Winfried; Losko, Adrian S; Vogel, Sven C

    2017-01-19

    Energy-resolved neutron imaging enables non-destructive analyses of bulk structure and elemental composition, which can be resolved with high spatial resolution at bright pulsed spallation neutron sources due to recent developments and improvements of neutron counting detectors. This technique, suitable for many applications, is demonstrated here with a specific study of ~5-10 mm thick natural gold samples. Through the analysis of neutron absorption resonances the spatial distribution of palladium (with average elemental concentration of ~0.4 atom% and ~5 atom%) is mapped within the gold samples. At the same time, the analysis of coherent neutron scattering in the thermal and cold energy regimes reveals which samples have a single-crystalline bulk structure through the entire sample volume. A spatially resolved analysis is possible because neutron transmission spectra are measured simultaneously on each detector pixel in the epithermal, thermal and cold energy ranges. With a pixel size of 55 μm and a detector-area of 512 by 512 pixels, a total of 262,144 neutron transmission spectra are measured concurrently. The results of our experiments indicate that high resolution energy-resolved neutron imaging is a very attractive analytical technique in cases where other conventional non-destructive methods are ineffective due to sample opacity.

  7. Development of a rubber elongation factor, surface-imprinted polymer-quartz crystal microbalance sensor, for quantitative determination of Hev b1 rubber latex allergens present in natural rubber latex products.

    PubMed

    Sontimuang, Chonlatid; Suedee, Roongnapa; Canyuk, Bhutorn; Phadoongsombut, Narubodee; Dickert, Franz L

    2011-02-21

    Molecularly imprinted polymers (MIPs) for screening to detect rubber latex allergens (Hev b1) in natural rubber based products were designed as artificial recognition polymeric materials coated onto a quartz crystal microbalance (QCM). The polymers were prepared using a stamp imprinting procedure after mixing optimum amounts of methacrylic acid-vinylpyrrolidone-dihydroxyethylene bisacrylamide and Hev b1 latex allergen proteins, obtained from rubber gloves. QCM measurements showed that the resulting polymer layers after removal of the proteins used in their preparation could incorporate structures and features down to nanometer scale of protein templates into the imprinted polymer much better than a non-specific control polymer under controlled sensor conditions and an optimized polymerization process. This selective polymer but not the non-selective polymer clearly distinguished between the latex allergen Hev b1 and proteins such as lysozyme, ovalbumin and bovine serum albumin, with a selectivity factor of from 2 to 4, and the response of the rubber elongation factors by an astonishing factor of 12. The imprinted cavities recognized specific binding sites and could distinguish among related hevein latex allergenic proteins isolated from fresh natural rubber latex; Hev b1, Hev b2, and Hev b3 with a selectivity factor of from 4 to 6. The different QCM measurements obtained presumably reflected slightly different conformations and affinities to the MIP binding sites. The sensor layers selectively adsorbed Hev b1 within minutes in amounts ranging from 10 to 1500 μg L⁻¹ and with a detection limit of 1 μg L⁻¹. This work has demonstrated that this new sensor provides a fast and reliable response to natural rubber latex protein, even after being extracted from the matrix of rubber gloves.

  8. Crystal chemistry of a Ba-dominant analogue of hydrodelhayelite and natural ion-exchange transformations in double- and triple-layer phyllosilicates in post-volcanic systems of the Eifel region, Germany

    NASA Astrophysics Data System (ADS)

    Zubkova, N. V.; Chukanov, N. V.; Pekov, I. V.; Turchkova, A. G.; Lykova, I. S.; Schüller, W.; Ternes, B.; Pushcharovsky, D. Yu.

    2016-12-01

    A Ba-dominant (Ba > K) analogue of hydrodelhayelite (BDAH) from Löhley (Eifel Mts., Rhineland-Palatinate, Germany) and Ba-enriched varieties of related double- and triple-layer phyllosilicates from Eifel are studied. The crystal structure of BDAH was solved by direct methods and refined to R = 0.0698 [1483 unique reflections with I > 2σ( I)]. It is orthorhombic, Pmmn, a = 23.9532(9), b = 7.0522(3), c = 6.6064(3) Å, V = 1115.97(8) Å3, Z = 2. The structure is based upon delhayelite-type double-layer tetrahedral blocks [(Al,Si)4Si12O34(OH,O)4] connected by chains of (Ca,Fe)-centered octahedra. Ba2+ and subordinate K+ occur at partially vacant sites in zeolitic channels within the tetrahedral blocks. The crystal-chemical formula of BDAH is: (Ba0.42K0.34□0.24)(Ca0.88Fe0.12)2(□0.90Mg0.10)2[Si6(Al0.5Si0.5)2O17(OH0.71O0.29)2]ṡ6H2O. The formation of BDAH and Ba-rich varieties of altered delhayelite/fivegite, günterblassite and hillesheimite is considered as a result of leaching of Na, Cl, F and, partially, K and Ca accompanied with hydration and the capture of Ba as a result of natural ion exchange. These minerals are structurally a "bridge" between single-layer phyllosilicates and zeolites having the open three-dimensional tetrahedral Al-Si-O frameworks.

  9. Introduction to protein crystallization.

    PubMed

    McPherson, Alexander; Gavira, Jose A

    2014-01-01

    Protein crystallization was discovered by chance about 150 years ago and was developed in the late 19th century as a powerful purification tool and as a demonstration of chemical purity. The crystallization of proteins, nucleic acids and large biological complexes, such as viruses, depends on the creation of a solution that is supersaturated in the macromolecule but exhibits conditions that do not significantly perturb its natural state. Supersaturation is produced through the addition of mild precipitating agents such as neutral salts or polymers, and by the manipulation of various parameters that include temperature, ionic strength and pH. Also important in the crystallization process are factors that can affect the structural state of the macromolecule, such as metal ions, inhibitors, cofactors or other conventional small molecules. A variety of approaches have been developed that combine the spectrum of factors that effect and promote crystallization, and among the most widely used are vapor diffusion, dialysis, batch and liquid-liquid diffusion. Successes in macromolecular crystallization have multiplied rapidly in recent years owing to the advent of practical, easy-to-use screening kits and the application of laboratory robotics. A brief review will be given here of the most popular methods, some guiding principles and an overview of current technologies.

  10. Introduction to protein crystallization

    PubMed Central

    McPherson, Alexander; Gavira, Jose A.

    2014-01-01

    Protein crystallization was discovered by chance about 150 years ago and was developed in the late 19th century as a powerful purification tool and as a demonstration of chemical purity. The crystallization of proteins, nucleic acids and large biological complexes, such as viruses, depends on the creation of a solution that is supersaturated in the macromolecule but exhibits conditions that do not significantly perturb its natural state. Supersaturation is produced through the addition of mild precipitating agents such as neutral salts or polymers, and by the manipulation of various parameters that include temperature, ionic strength and pH. Also important in the crystallization process are factors that can affect the structural state of the macromolecule, such as metal ions, inhibitors, cofactors or other conventional small molecules. A variety of approaches have been developed that combine the spectrum of factors that effect and promote crystallization, and among the most widely used are vapor diffusion, dialysis, batch and liquid–liquid diffusion. Successes in macromolecular crystallization have multiplied rapidly in recent years owing to the advent of practical, easy-to-use screening kits and the application of laboratory robotics. A brief review will be given here of the most popular methods, some guiding principles and an overview of current technologies. PMID:24419610

  11. Crystal Chemistry of Melanite Garnet

    NASA Technical Reports Server (NTRS)

    Nguyen, Dawn Marie

    1999-01-01

    This original project resulted in a detailed crystal chemical data map of a titanium rich garnet (melanite) suite that originates from the Crowsnest Volcanics of Alberta Canada. Garnet is typically present during the partial melting of the earth's mantle to produce basalt. Prior studies conducted at Youngstown State University have yielded questions as to the crystal structure of the melanite. In the Studies conducted at Youngstown State University, through the use of single crystal x-ray diffraction, the c-axis appears to be distorted creating a tetragonal crystal instead of the typical cubic crystal of garnets. The micro probe was used on the same suite of titanium rich garnets as used in the single crystal x-ray diffraction. The combination of the single crystal x-ray research and the detailed microprobe research will allow us to determine the exact crystal chemical structure of the melanite garnet. The crystal chemical data was gathered through the utilization of the SX100 Electron Probe Micro Analyzer. Determination of the exact chemical nature may prove useful in modeling the ultramafic source rock responsible for the formation of the titanium rich lunar basalts.

  12. Liquid Crystals

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Thermochromic liquid crystals, or TLCs, are a type of liquid crystals that react to changes in temperature by changing color. The Hallcrest/NASA collaboration involved development of a new way to visualize boundary layer transition in flight and in wind tunnel testing of aircraft wing and body surfaces. TLCs offered a new and potentially better method of visualizing the boundary layer transition in flight. Hallcrest provided a liquid crystal formulation technique that afforded great control over the sensitivity of the liquid crystals to varying conditions. Method is of great use to industry, government and universities for aerodynamic and hydrodynamic testing. Company's principal line is temperature indicating devices for industrial use, such as non-destructive testing and flaw detection in electric/electronic systems, medical application, such as diagnostic systems, for retail sale, such as room, refrigerator, baby bath and aquarium thermometers, and for advertising and promotion specials. Additionally, Hallcrest manufactures TLC mixtures for cosmetic applications, and liquid crystal battery tester for Duracell batteries.

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

    PubMed

    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.

  14. SYMMETRICAL LASER CRYSTALS.

    DTIC Science & Technology

    CRYSTAL GROWTH , SYMMETRY(CRYSTALLOGRAPHY), LASERS, SYNTHESIS, FERROELECTRIC CRYSTALS , FLUORESCENCE, IMPURITIES, BARIUM COMPOUNDS, ZIRCONATES...STRONTIUM COMPOUNDS, TITANATES, STANNATES, SAMARIUM, MANGANESE, REFRACTORY MATERIALS, OXIDES, SINGLE CRYSTALS .

  15. Pyrrolidinium ionic liquid crystals.

    PubMed

    Goossens, Karel; Lava, Kathleen; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Driesen, Kris; Görller-Walrand, Christiane; Binnemans, Koen; Cardinaels, Thomas

    2009-01-01

    N-alkyl-N-methylpyrrolidinium cations have been used for the design of ionic liquid crystals, including a new type of uranium-containing metallomesogen. Pyrrolidinium salts with bromide, bis(trifluoromethylsulfonyl)imide, tetrafluoroborate, hexafluorophosphate, thiocyanate, tetrakis(2- thenoyltrifluoroacetonato)europate(III) and tetrabromouranyl counteranions were prepared. For the bromide salts and tetrabromouranyl compounds, the chain length of the alkyl group C(n)H(2n+1) was varied from eight to twenty carbon atoms (n = 8, 10-20). The compounds show rich mesomorphic behaviour: highly ordered smectic phases (the crystal smectic E phase and the uncommon crystal smectic T phase), smectic A phases, and hexagonal columnar phases were observed, depending on chain length and anion. This work gives better insight into the nature and formation of the crystal smectic T phase, and the molecular requirements for the appearance of this highly ordered phase. This uncommon tetragonal mesophase is thoroughly discussed on the basis of detailed powder X-ray diffraction experiments and in relation to the existing literature. Structural models are proposed for self-assembly of the molecules within the smectic layers. In addition, the photophysical properties of the compounds containing a metal complex anion were investigated. For the uranium-containing mesogens, luminescence can be induced by dissolving them in an ionic liquid matrix. The europium-containing compound shows intense red photoluminescence with high colour purity.

  16. Therapeutic Crystals

    ERIC Educational Resources Information Center

    Bond, Charles S.

    2014-01-01

    Some readers might not fully know what the difference is between crystallography, and the "new age" practice of dangling crystals around the body to capitalise on their healing energy. The latter is often considered to be superstition, while ironically, the former has actually resulted in real rationally-based healing of human diseases…

  17. Optical Crystals

    ERIC Educational Resources Information Center

    Bergsten, Ronald

    1974-01-01

    Discusses the production and structure of a sequence of optical crystals which can serve as one-, two-, and three-dimensional diffraction plates to illustrate diffraction patterns by using light rather than x-rays or particles. Applications to qualitative presentations of Laue theory at the secondary and college levels are recommended. (CC)

  18. Therapeutic Crystals

    ERIC Educational Resources Information Center

    Bond, Charles S.

    2014-01-01

    Some readers might not fully know what the difference is between crystallography, and the "new age" practice of dangling crystals around the body to capitalise on their healing energy. The latter is often considered to be superstition, while ironically, the former has actually resulted in real rationally-based healing of human diseases…

  19. Comparing Crystals

    ERIC Educational Resources Information Center

    Sharp, Janet; Hoiberg, Karen; Chumbley, Scott

    2003-01-01

    This standard lesson on identifying salt and sugar crystals expands into an opportunity for students to develop their observation, questioning, and modeling skills. Although sugar and salt may look similar, students discovered that they looked very different under a magnifying glass and behaved differently when dissolved in water. In addition,…

  20. Optical Crystals

    ERIC Educational Resources Information Center

    Bergsten, Ronald

    1974-01-01

    Discusses the production and structure of a sequence of optical crystals which can serve as one-, two-, and three-dimensional diffraction plates to illustrate diffraction patterns by using light rather than x-rays or particles. Applications to qualitative presentations of Laue theory at the secondary and college levels are recommended. (CC)

  1. Butterfly wing color: A photonic crystal demonstration

    NASA Astrophysics Data System (ADS)

    Proietti Zaccaria, Remo

    2016-01-01

    We have theoretically modeled the optical behavior of a natural occurring photonic crystal, as defined by the geometrical characteristics of the Teinopalpus Imperialis butterfly. In particular, following a genetic algorithm approach, we demonstrate how its wings follow a triclinic crystal geometry with a tetrahedron unit base. By performing both photonic band analysis and transmission/reflection simulations, we are able to explain the characteristic colors emerging by the butterfly wings, thus confirming their crystal form.

  2. Crystal structures of the apo form and a complex of human LMW-PTP with a phosphonic acid provide new evidence of a secondary site potentially related to the anchorage of natural substrates.

    PubMed

    Fonseca, Emanuella M B; Trivella, Daniela B B; Scorsato, Valéria; Dias, Mariana P; Bazzo, Natália L; Mandapati, Kishore R; de Oliveira, Fábio L; Ferreira-Halder, Carmen V; Pilli, Ronaldo A; Miranda, Paulo C M L; Aparicio, Ricardo

    2015-08-01

    Low molecular weight protein tyrosine phosphatases (LMW-PTP, EC 3.1.3.48) are a family of single-domain enzymes with molecular weight up to 18 kDa, expressed in different tissues and considered attractive pharmacological targets for cancer chemotherapy. Despite this, few LMW-PTP inhibitors have been described to date, and the structural information on LMW-PTP druggable binding sites is scarce. In this study, a small series of phosphonic acids were designed based on a new crystallographic structure of LMW-PTP complexed with benzylsulfonic acid, determined at 2.1Å. In silico docking was used as a tool to interpret the structural and enzyme kinetics data, as well as to design new analogs. From the synthesized series, two compounds were found to act as competitive inhibitors, with inhibition constants of 0.124 and 0.047 mM. We also report the 2.4Å structure of another complex in which LMW-PTP is bound to benzylphosphonic acid, and a structure of apo LMW-PTP determined at 2.3Å resolution. Although no appreciable conformation changes were observed, in the latter structures, amino acid residues from an expression tag were found bound to a hydrophobic region at the protein surface. This regions is neighbored by positively charged residues, adjacent to the active site pocket, suggesting that this region might be not a mere artefact of crystal contacts but an indication of a possible anchoring region for the natural substrate-which is a phosphorylated protein.

  3. Partitioning behavior and stabilization of hydrophobically coated HfO2, ZrO2 and Hfx Zr 1-x O2 nanoparticles with natural organic matter reveal differences dependent on crystal structure.

    PubMed

    Navarro, Divina A; Depner, Sean W; Watson, David F; Aga, Diana S; Banerjee, Sarbajit

    2011-11-30

    The interactions of engineered nanomaterials with natural organic matter (NOM) exert a profound influence on the mobilities of the former in the environment. However, the influence of specific nanomaterial structural characteristics on the partitioning and colloidal stabilization of engineered nanomaterials in various ecological compartments remains underexplored. Herein, we present a systematic study of the interactions of humic acid (HA, as a model for NOM) with monodisperse, well-characterized, ligand-passivated HfO(2), ZrO(2), and solid-solution Hf(x)Zr(1-x)O(2) nanoparticles (NPs). We note that mixing with HA induces the almost complete phase transfer of hydrophobically coated monoclinic metal oxide (MO) NPs from hexane to water. Furthermore, HA is seen to impart appreciable colloidal stabilization to the NPs in the aqueous phase. In contrast, phase transfer and aqueous-phase colloidal stabilization has not been observed for tetragonal MO-NPs. A mechanistic model for the phase transfer and aqueous dispersal of MO-NPs is proposed on the basis of evidence from transmission electron microscopy, ζ-potential measurements, dynamic light scattering, Raman and infrared spectroscopies, elemental analysis, and systematic experiments on a closely related set of MO-NPs with varying composition and crystal structure. The data indicate the synergistic role of over-coating (micellar), ligand substitution (coordinative), and electrostatic processes wherein HA acts both as an amphiphilic molecule and a charged chelating ligand. The strong observed preference for the phase transfer of monoclinic instead of tetragonal NPs indicates the importance of the preferential binding of HA to specific crystallographic facets and suggests the possibility of being able to design NPs to minimize their mobilities in the aquatic environment.

  4. Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi14O16(SO4)5 and Bi30O33(SO4)9(AsO4)2.

    PubMed

    Pinto, Daniela; Garavelli, Anna; Bindi, Luca

    2015-10-01

    The crystal structures of two new natural Bi oxysulfates with the formula Bi14O16(SO4)5 [labelled new phase I; monoclinic, space group C2, a = 21.658 (4), b = 5.6648 (9), c = 15.092 (3) Å, β = 119.433 (11)° and Z = 2] and Bi30O33(SO4)9(AsO4)2 [labelled new phase II; triclinic, space group P1, a = 5.670 (3), b = 13.9408 (9), c = 22.7908 (18) Å, α = 80.903 (5), β = 82.854 (14), γ = 78.27 (2)° and Z = 1] from the high-temperature fumarole deposit of the La Fossa crater at Vulcano (Aeolian Islands, Italy) are reported. The structures are built up by a combination of fluorite-related Bi-O units and isolated (SO4)(2-) tetrahedra (new phase I) or both (SO4)(2-) and (AsO4)(3-) tetrahedra (new phase II). Owing to the effect of stereoactive lone pairs of Bi(3+), Bi-O units in both the structures can be suitably described in terms of oxo-centered OBi4 tetrahedra. The structure of Bi14O16(SO4)5 is based upon one-dimensional [O16Bi14](10+) ribbons formed by six chains of edge-sharing OBi4 tetrahedra extending along [010]. In the structure of Bi30O33(SO4)9(AsO4)2 the same ribbon type coexists with another one-dimensional ribbon formed by seven chains of edge-sharing OBi4 tetrahedra and with the composition [O17Bi16](14+). Ribbons of the same type are joined by (SO4)(2-) and (AsO4)(3-) tetrahedra along [010] – if a reduced triclinic unit-cell setting is considered – so forming two different (001) slabs which alternate to each other along [001] and are joined by additional (SO4)(2-) tetrahedra. New phase I represents the natural analogues of synthetic Bi14O16(SO4)5, but with an ordered structure model.

  5. Radiating dipoles in photonic crystals

    PubMed

    Busch; Vats; John; Sanders

    2000-09-01

    The radiation dynamics of a dipole antenna embedded in a photonic crystal are modeled by an initially excited harmonic oscillator coupled to a non-Markovian bath of harmonic oscillators representing the colored electromagnetic vacuum within the crystal. Realistic coupling constants based on the natural modes of the photonic crystal, i.e., Bloch waves and their associated dispersion relation, are derived. For simple model systems, well-known results such as decay times and emission spectra are reproduced. This approach enables direct incorporation of realistic band structure computations into studies of radiative emission from atoms and molecules within photonic crystals. We therefore provide a predictive and interpretative tool for experiments in both the microwave and optical regimes.

  6. Ionic crystals

    SciTech Connect

    Mahan, G.D.

    1985-03-01

    The theme of the second Petra School of Physics was the optical properties of solids. The author's lectures will discuss the theory of ionic crystals such as the alkali halides. The general topics will include a discussion of: the local electric fields, multipole polarizability, core level spectra, and electron energy levels. The subject of alkali halides is today regarded as unfashionable. They were quite popular years ago, but fashions and fancies in science have moved elsewhere. One should not think they are well understood. The author's impression of this field is that activity stopped, not because the problems were solved, but rather because the workers got tired of not being able to solve them. For example, we still do not have a good theory of crystal structure, since microscopic forces are not well characterized. One concludes that other quantities which depend upon forces, such as the elastic constants, are also not well understood, although theories of them are published all of the time. As another example, we still do not have a good theory of bonding. Here there are two camps: one which regards the bonding as ionic, while the other advocates significant amounts of covalency. Recently we have shown that both the elastic constants, and the amount of covalent bonding, depend significantly upon the higher multipole polarizabilities. In summary, the subject of ionic crystals is a field where there are still many unresolved issues awaiting good research. 21 refs., 5 figs., 4 tabs.

  7. Viewing Ice Crystals Using Polarized Light.

    ERIC Educational Resources Information Center

    Kinsman, E. M.

    1992-01-01

    Describes a method for identifying and examining single ice crystals by photographing a thin sheet of ice placed between two inexpensive polarizing filters. Suggests various natural and prepared sources for ice that promote students' insight into crystal structures, and yield colorful optical displays. Includes directions, precautions, and sample…

  8. Viewing Ice Crystals Using Polarized Light.

    ERIC Educational Resources Information Center

    Kinsman, E. M.

    1992-01-01

    Describes a method for identifying and examining single ice crystals by photographing a thin sheet of ice placed between two inexpensive polarizing filters. Suggests various natural and prepared sources for ice that promote students' insight into crystal structures, and yield colorful optical displays. Includes directions, precautions, and sample…

  9. Crystal growth in porous materials—I: The crystallization pressure of large crystals

    NASA Astrophysics Data System (ADS)

    Steiger, Michael

    2005-09-01

    A critical review of the existing literature on the pressure exerted by growing crystals in porous materials reveals that a number of different equations are in use. A derivation of an equation for the crystallization pressure based on the chemical potentials of the loaded and the unloaded faces of a growing crystal is provided. The equation obtained is compared to other equations available in the literature and the different approaches are discussed in detail. The treatment also includes the non-ideal behavior of the liquid phase using the ion interaction approach (Pitzer equations) which is well-established in solution thermodynamics. Incorporating the ion interaction equations in the crystallization pressure equation yields a quite simple expression that appears to be more convenient than previous treatments. The equation is applied to calculate crystallization pressures for supersaturated solutions of aqueous NaCl, NaNO 3, Na 2SO 4, and MgSO 4 including the various hydrated forms of these salts. Depending on the nature of the salt, neglecting the non-ideal behavior may cause considerable error in crystallization pressure calculations. Finally, it is emphasized that the basic assumption of non-uniform pressure is fundamental to understand the dynamics of crystallization pressure evolving in porous materials.

  10. The chemists behind the crystals

    NASA Astrophysics Data System (ADS)

    2014-09-01

    Benjamin King and Dieter Schlüter, the corresponding authors of two Articles in this issue that describe single-crystal characterization of two-dimensional polymers, talk to Nature Chemistry about the background, challenges and prospects of their work.

  11. Current trends in protein crystallization.

    PubMed

    Gavira, José A

    2016-07-15

    Proteins belong to the most complex colloidal system in terms of their physicochemical properties, size and conformational-flexibility. This complexity contributes to their great sensitivity to any external change and dictate the uncertainty of crystallization. The need of 3D models to understand their functionality and interaction mechanisms with other neighbouring (macro)molecules has driven the tremendous effort put into the field of crystallography that has also permeated other fields trying to shed some light into reluctant-to-crystallize proteins. This review is aimed at revising protein crystallization from a regular-laboratory point of view. It is also devoted to highlight the latest developments and achievements to produce, identify and deliver high-quality protein crystals for XFEL, Micro-ED or neutron diffraction. The low likelihood of protein crystallization is rationalized by considering the intrinsic polypeptide nature (folded state, surface charge, etc) followed by a description of the standard crystallization methods (batch, vapour diffusion and counter-diffusion), including high throughput advances. Other methodologies aimed at determining protein features in solution (NMR, SAS, DLS) or to gather structural information from single particles such as Cryo-EM are also discussed. Finally, current approaches showing the convergence of different structural biology techniques and the cross-methodologies adaptation to tackle the most difficult problems, are presented. Current advances in biomacromolecules crystallization, from nano crystals for XFEL and Micro-ED to large crystals for neutron diffraction, are covered with special emphasis in methodologies applicable at laboratory scale. Copyright © 2015 Elsevier Inc. All rights reserved.

  12. Bulk modulus for polar covalent crystals

    PubMed Central

    Xu, Bo; Wang, Qianqian; Tian, Yongjun

    2013-01-01

    A microscopic empirical model of bulk modulus based on atomic-scale parameters is proposed. These parameters include the bond length, the effective bonded valence electron (EBVE) number, and the coordination number product of two bonded atoms, etc. The estimated bulk moduli from our model are in good agreement with experimental values for various polar covalent crystals including ionic crystals. Our current work sheds lights on the nature of bulk modulus, provides useful clues for design of crystals with low compressibility, and is applicable to complex crystals such as minerals of geophysical importance. PMID:24166098

  13. Mechanical and thermal studies of metronidazole crystals

    NASA Astrophysics Data System (ADS)

    Ramukutty, S.; Jeyasudha, R.; Ramachandran, E.

    2013-10-01

    Single crystals of metronidazole have been synthesized natural evaporation method. The grown crystal has been confirmed using single crystal X-ray diffraction analysis. Mechanical behavior has been determined using Vickers hardness measurement. Work-hardening coefficient and Newtonian resistance pressure of the crystal have been estimated. Kinetic analysis of the thermogravimetric data has been carried out by using Coats-Redfern relation. Activation energy, frequency factor and order of reaction have been also calculated. The Arrhenius equation for metronidazole is k = 0.38 × 108 e-76.679/ RT mol-1 s-1. Thermodynamic parameters have been also determined.

  14. Stishovite: Thermal Dependence of the Crystal Habit.

    PubMed

    Sclar, C B; Carrison, L C; Cocks, G G

    1964-05-15

    The crystal habit of stishovite changes with the temperature of crystallization at a pressure of about 120 kb. Below 600 degrees C it is bipyramidal; between 600 degrees and 900 degrees C it is granular; and above 900 degrees C it is acicular. This temperature dependence of the crystal habit of stishovite may constitute a highpressure geological thermometer which could indicate limiting values for the peak temperatures that prevailed at craters of meteoritic origin in highly siliceous rocks. It suggests that natural acicular stishovite from the rim sandstone at Meteor Crater, Arizona, crystallized at temperatures above 900 degrees C.

  15. Bulletlike light pulses in photonic crystals

    NASA Astrophysics Data System (ADS)

    Zhou, Chuanhong; Gong, Qian; Yao, Peijun; Zhao, Deyin; Jiang, Xunya

    2008-08-01

    We report the bulletlike propagation of light pulse in a particularly designed two-dimensional (2D) photonic crystal. Unlike traditional light bullet supported by nonlinear materials, this bulletlike propagation is achieved only by 2D photonic crystal, where the diffraction and the group velocity dispersion of a light pulse are eliminated naturally by combining two distinct properties of photonic crystal, i.e., self-collimation and zero group velocity dispersion. Moreover, we studied the influence of third order dispersion on the propagation of light bullet and found that it can be greatly suppressed by an improved structure of photonic crystal.

  16. Computer Modeling of Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Hashim, Rauzah

    This chapter outlines the methodologies and models which are commonly used in the simulation of liquid crystals. The approach in the simulation of liquid crystals has always been to understand the nature of the phase and to relate this to fundamental molecular features such as geometry and intermolecular forces, before important properties related to certain applications are elucidated. Hence, preceding the description of the main "molecular-based" models for liquid crystals, a general but brief outline of the nature of liquid crystals and their historical development is given. Three main model classes, namely the coarse-grained single-site lattice and Gay-Berne models and the full atomistic model will be described here where for each a brief review will be given followed by assessment of its application in describing the phase phenomena with an emphasis on understanding the molecular organization in liquid crystal phases and the prediction of their bulk properties. Variants and hybrid models derived from these classes and their applications are given.

  17. Crystal engineering: a holistic view.

    PubMed

    Desiraju, Gautam R

    2007-01-01

    Crystal engineering, the design of molecular solids, is the synthesis of functional solid-state structures from neutral or ionic building blocks, using intermolecular interactions in the design strategy. Hydrogen bonds, coordination bonds, and other less directed interactions define substructural patterns, referred to in the literature as supramolecular synthons and secondary building units. Crystal engineering has considerable overlap with supramolecular chemistry, X-ray crystallography, materials science, and solid-state chemistry and yet it is a distinct discipline in itself. The subject goes beyond the traditional divisions of organic, inorganic, and physical chemistry, and this makes for a very eclectic blend of ideas and techniques. The purpose of this Review is to highlight some current challenges in this rapidly evolving subject. Among the topics discussed are the nature of intermolecular interactions and their role in crystal design, the sometimes diverging perceptions of the geometrical and chemical models for a molecular crystal, the relationship of these models to polymorphism, knowledge-based computational prediction of crystal structures, and efforts at mapping the pathway of the crystallization reaction.

  18. Biological Macromolecule Crystallization Database

    National Institute of Standards and Technology Data Gateway

    SRD 21 Biological Macromolecule Crystallization Database (Web, free access)   The Biological Macromolecule Crystallization Database and NASA Archive for Protein Crystal Growth Data (BMCD) contains the conditions reported for the crystallization of proteins and nucleic acids used in X-ray structure determinations and archives the results of microgravity macromolecule crystallization studies.

  19. Sponge-like nanoporous single crystals of gold

    PubMed Central

    Khristosov, Maria Koifman; Bloch, Leonid; Burghammer, Manfred; Kauffmann, Yaron; Katsman, Alex; Pokroy, Boaz

    2015-01-01

    Single crystals in nature often demonstrate fascinating intricate porous morphologies rather than classical faceted surfaces. We attempt to grow such crystals, drawing inspiration from biogenic porous single crystals. Here we show that nanoporous single crystals of gold can be grown with no need for any elaborate fabrication steps. These crystals are found to grow following solidification of a eutectic composition melt that forms as a result of the dewetting of nanometric thin films. We also present a kinetic model that shows how this nano-porous single-crystalline structure can be obtained, and which allows the potential size of the porous single crystal to be predicted. Retaining their single-crystalline nature is due to the fact that the full crystallization process is faster than the average period between two subsequent nucleation events. Our findings clearly demonstrate that it is possible to form single-crystalline nano porous metal crystals in a controlled manner. PMID:26554856

  20. Crystals and Crystals: On the Mythology of Magmatic Processes

    NASA Astrophysics Data System (ADS)

    Marsh, B.

    2008-12-01

    The intimate records of the deep functioning of magmatic systems reside in the temporal and spatial records of magma flux, composition and crystal load. The records for a single system are piecemeal: Plutons show good spatial records, but poor temporal records. Volcanoes give through lava sequences good temporal records, but no spatial context. Because of this dichotomy, two, almost mutually exclusive, branches of magmatology have developed, whereas in Nature there is only a single process. The processes envisioned in these schools necessary to deliver the end rock record are distinct. It is our tools and historic perspectives that have steered the science, not the subject itself. Due to this approach an almost mythical conception of how magmas function has become commonplace. The circumvention of this dilemma rests in carefully evaluating the records on hand in the light of a broad understanding of the fundamental mechanics of how magma lives and dies. It is these basic principles that promise to unify plutonic and volcanic evidence to reveal the full nature of magmatism on all scales. The two most basic features of all magmatic processes are the universal presence of solidification fronts and the presence or absence of a crystal cargo. Almost without exception (e.g., shallow pressure quenching) all first generation crystals grow in marginal solidification fronts (SFs) bordering all magmas. The package of isotherms bounded by the liquidus and solidus define SFs, which propagate in response to the rate of cooling. All physical and chemical processes occurring within SFs compete with the advancement or retreat of solidification. SFs are governed by crystallinity regimes: Suspension Zone (<25 % xtals), Capture Front (~25 %), Mush Zone (25-55%), Rigidity Front (~55%; Critical Crystallinity), and Rigid Crust Zone (>55% xtals). Magmas are laced with nuclei that multiply and grow when overtaken. Crystal growth rates are bounded; tiny crystals reside at the front of SFs

  1. Liquid crystal Fresnel lens display

    NASA Astrophysics Data System (ADS)

    Wang, Xiao-Qian; Abhishek Kumar, Srivastava; Alwin Tam, Ming-Wai; Zheng, Zhi-Gang; Shen, Dong; Vladimir, Chigrinov G.; Kwok, Hoi-Sing

    2016-09-01

    A novel see-through display with a liquid crystal lens array was proposed. A liquid crystal Fresnel lens display (LCFLD) with a holographic screen was demonstrated. The proposed display system has high efficiency, simple fabrication, and low manufacturing cost due to the absence of a polarizer and color filter. Project supported by Partner State Key Laboratory on Advanced Displays and Optoelectronics Technologies HKUST, China, the National Natural Science Foundation of China (Grant Nos. 61435008 and 61575063), and the Fundamental Research Funds for the Central Universities, China (Grant No. WM1514036).

  2. Vapor Crystal Growth International Microgravity Laboratory (IML-1)

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Vapor Crystal Growth System developed in IML-1, Mercuric Iodide Crystal grown in microgravity FES/VCGS (Fluids Experiment System/Vapor Crystal Growth Facility). During the mission, mercury iodide source material was heated, vaporized, and transported to a seed crystal where the vapor condensed. Mercury iodide crystals have practical uses as sensitive X-ray and gamma-ray detectors. In addition to their excellent optical properties, these crystals can operate at room temperature, which makes them useful for portable detector devices for nuclear power plant monitoring, natural resource prospecting, biomedical applications, and astronomical observing.

  3. Crystallization process

    DOEpatents

    Adler, Robert J.; Brown, William R.; Auyang, Lun; Liu, Yin-Chang; Cook, W. Jeffrey

    1986-01-01

    An improved crystallization process is disclosed for separating a crystallizable material and an excluded material which is at least partially excluded from the solid phase of the crystallizable material obtained upon freezing a liquid phase of the materials. The solid phase is more dense than the liquid phase, and it is separated therefrom by relative movement with the formation of a packed bed of solid phase. The packed bed is continuously formed adjacent its lower end and passed from the liquid phase into a countercurrent flow of backwash liquid. The packed bed extends through the level of the backwash liquid to provide a drained bed of solid phase adjacent its upper end which is melted by a condensing vapor.

  4. Liquid Crystal Inquiries.

    ERIC Educational Resources Information Center

    Marroum, Renata-Maria

    1996-01-01

    Discusses the properties and classification of liquid crystals. Presents a simple experiment that illustrates the structure of liquid crystals and the differences between the various phases liquid crystals can assume. (JRH)

  5. X-ray Microscopic Characterization of Protein Crystals

    NASA Technical Reports Server (NTRS)

    Hu, Z. W.; Holmes, A.; Thomas, B.R.; Chernov, a. A.; Chu, Y. S.; Lai, B.

    2004-01-01

    The microscopic mapping of the variation in degree of perfection and in type of defects in entire protein crystals by x-rays may well be a prerequisite for better understanding causes of lattice imperfections, the growth history, and properties of protein crystals. However, x-ray microscopic characterization of bulk protein crystals, in the as-grown state, is frequently more challenging than that of small molecular crystals due to the experimental difficulties arising largely from the unique features possessed by protein crystals. In this presentation, we will illustrate ssme recent activities in employing coherence-based phase contrast x-ray imaging and high-angular-resolution diffraction techniques for mapping microdefects and the degree of perfection of protein crystals, and demonstrate a correlation between crystal perfection, diffraction phenomena., and crystallization conditions. The observed features and phenomena will be discussed in context to gain insight into the nature of defects, nucleation and growth, and the properties of protein crystals.

  6. X-ray Microscopic Characterization of Protein Crystals

    NASA Technical Reports Server (NTRS)

    Hu, Z. W.; Holmes, A.; Thomas, B.R.; Chernov, a. A.; Chu, Y. S.; Lai, B.

    2004-01-01

    The microscopic mapping of the variation in degree of perfection and in type of defects in entire protein crystals by x-rays may well be a prerequisite for better understanding causes of lattice imperfections, the growth history, and properties of protein crystals. However, x-ray microscopic characterization of bulk protein crystals, in the as-grown state, is frequently more challenging than that of small molecular crystals due to the experimental difficulties arising largely from the unique features possessed by protein crystals. In this presentation, we will illustrate ssme recent activities in employing coherence-based phase contrast x-ray imaging and high-angular-resolution diffraction techniques for mapping microdefects and the degree of perfection of protein crystals, and demonstrate a correlation between crystal perfection, diffraction phenomena., and crystallization conditions. The observed features and phenomena will be discussed in context to gain insight into the nature of defects, nucleation and growth, and the properties of protein crystals.

  7. PARAMAGNETIC RELAXATION IN CRYSTALS.

    DTIC Science & Technology

    CRYSTALS, PARAMAGNETIC RESONANCE, RELAXATION TIME , CRYSTAL DEFECTS, QUARTZ, GLASS, STRAIN(MECHANICS), TEMPERATURE, NUCLEAR SPINS, HYDROGEN, CALCIUM COMPOUNDS, FLUORIDES, COLOR CENTERS, PHONONS, OXYGEN.

  8. Surface adsorption of Cs137 ions on quartz crystals

    USGS Publications Warehouse

    Antkiw, Stephen; Waesche, H.; Senftle, F.

    1954-01-01

    Adsorption tests were made on four large synthetic and three natural quartz crystals to see if surface defects might be detected by subsequent autoradiography techniques. The adsorbent used was radioactive Cs137 in a solution of Cs 137Cl. Natural quartz crystals adsorbed more cesium than the synthetic crystals. Certain surface defects were made evident by this method, but twinning features could not be detected.

  9. Using Inorganic Crystals To Grow Protein Crystals

    NASA Technical Reports Server (NTRS)

    Shlichta, Paul J.; Mcpherson, Alexander A.

    1989-01-01

    Solid materials serve as nucleating agents. Protein crystals induced by heterogeneous nucleation and in some cases by epitaxy to grow at lower supersaturations than needed for spontaneous nucleation. Heterogeneous nucleation makes possible to grow large, defect-free single crystals of protein more readily. Such protein crystals benefits research in biochemistry and pharmacology.

  10. Using Inorganic Crystals To Grow Protein Crystals

    NASA Technical Reports Server (NTRS)

    Shlichta, Paul J.; Mcpherson, Alexander A.

    1989-01-01

    Solid materials serve as nucleating agents. Protein crystals induced by heterogeneous nucleation and in some cases by epitaxy to grow at lower supersaturations than needed for spontaneous nucleation. Heterogeneous nucleation makes possible to grow large, defect-free single crystals of protein more readily. Such protein crystals benefits research in biochemistry and pharmacology.

  11. Laser-induced crystallization and crystal growth.

    PubMed

    Sugiyama, Teruki; Masuhara, Hiroshi

    2011-11-04

    Recent streams of laser studies on crystallization and crystal growth are summarized and reviewed. Femtosecond multiphoton excitation of solutions leads to their ablation at the focal point, inducing local bubble formation, shockwave propagation, and convection flow. This phenomenon, called "laser micro tsunami" makes it possible to trigger crystallization of molecules and proteins from their supersaturated solutions. Femtosecond laser ablation of a urea crystal in solution triggers the additional growth of a single daughter crystal. Intense continuous wave (CW) near infrared laser irradiation at the air/solution interface of heavy-water amino acid solutions results in trapping of the clusters and evolves to crystallization. A single crystal is always prepared in a spatially and temporally controlled manner, and the crystal polymorph of glycine depends on laser power, polarization, and solution concentration. Upon irradiation at the glass/solution interface, a millimeter-sized droplet is formed, and a single crystal is formed by shifting the irradiation position to the surface. Directional and selective crystal growth is also possible with laser trapping. Finally, characteristics of laser-induced crystallization and crystal growth are summarized.

  12. Nanosized microporous crystals: emerging applications.

    PubMed

    Mintova, Svetlana; Jaber, Maguy; Valtchev, Valentin

    2015-10-21

    This review highlights recent developments in the synthesis and unconventional applications of nanosized microporous crystals including framework (zeolites) and layered (clays) type materials. Owing to their microporous nature nanosized zeolites and clays exhibit novel properties, different from those of bulk materials. The factors controlling the formation of nanosized microporous crystals are first revised. The most promising approaches from the viewpoint of large-scale production of nanosized zeolites and clays are discussed in depth. The preparation and advanced applications of nanosized zeolites and clays in free (suspension and powder forms) and fixed (films) forms are summarized. Further the review emphasises the non-conventional applications of new porous materials. A comprehensive analysis of the emerging applications of microporous nanosized crystals in the field of semiconductor industry, optical materials, chemical sensors, medicine, cosmetics, and food industry is presented. Finally, the future needs and perspectives of nanosized microporous materials (zeolites and clays) are addressed.

  13. Growth and crystal structure of the BeAl 6O 10 single crystals

    NASA Astrophysics Data System (ADS)

    Alimpiev, A. I.; Merkulov, A. A.; Solntsev, V. P.; Tsvetkov, E. G.; Matrosov, V. N.; Pestryakov, E. V.

    2002-04-01

    Unlike earlier published works we have established incongruent melting for the compound BeAl 6O 10 (BHA). The conditions of growing crystals from their own melt with a superstoichiometric excess of BeO, using the Czochralski method, have been determined. The nature of inclusions in grown BHA crystals is described. On the basis of X-ray crystal structure analysis and data of spectroscopic studies the symmetry and space group of BHA crystal structure have been refined, as well as uncertainties arising in their interpretation are discussed.

  14. Molecular tectonics: from crystals to crystals of crystals.

    PubMed

    Marinescu, Gabriela; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais

    2013-12-11

    The in situ combination of M(II) cations (Co, Ni, Cu or Zn) with 2,4,6-pyridinetricarboxylic acid as a ligand, a bisamidinium dication as a H-bond donor tecton and NaOH leads to the formation of anionic metal complexes ML2(2-) and their interconnection into isomorphous 3D H-bonded networks displaying different colours which were used as preformed seed crystals for the formation of crystals of crystals by 3D epitaxial growth.

  15. Optical properties of natural topaz

    NASA Astrophysics Data System (ADS)

    Skvortsova, V.; Mironova-Ulmane, N.; Trinkler, L.; Chikvaidze, G.

    2013-12-01

    The results of investigation of infrared, Raman and UV-Visible absorption spectra of natural topaz crystals from Ukraine before and after fast neutron irradiation are presented. We assume that the ~ 620 nm band in topaz crystals is associated with the presence of Cr3+, Fe2+ and Mn2+ impurities. The broad band with maxima at 650 cm-1 observed in Raman spectra for topaz irradiated by fast neutrons may be connected with lattice disorder. Exchange interaction between radiation defect and impurity ions during neutron irradiation leads to appearance of additional absorption band in UV-VIS spectra and bands broadening in infrared and Raman spectra of investigated crystals.

  16. Living Liquid Crystals.

    SciTech Connect

    Zhou, Shuang; Sokolov, Andrey; Lavrentovich, Oleg D.; Aranson, Igor S.

    2014-01-28

    Collective motion of self-propelled organisms or synthetic par­ticles, often termed •active fluid,• has attracted enormous atten­tion in the broad scientific community because of its fundamentally nonequilibrium nature. Energy input and interactions among the moving units and the medium lead to complex dynamics. Here,we introduce a class of active matter-living liquid crystals (UCs}­ that combines living swimming bacteria with a lyotropic liquid crystal. The physical properties of LLCs can be controlled by the amount of oxygen available to bacteria, by concentration of ingre­dients, or by temperature. Our studies reveal a wealth of intriguing dynamic phenomena. caused by the coupling between the activity-triggered flow and long-range orientational order of the medium. Among these are (i) nonlinear trajectories of bacterial motion guided by nonuniform director, (ii) local melting of the liquid crystal caused by the bacteria-produced shear flows, (iii) activity-triggered transition from a nonflowing uniform state into a flowing one-dimensional periodic pattern and its evolution into a turbulent array of topological defects, and (iv) birefringence­ enabled visualization of microflow generated by the nanometers­ thick bacterial flagella. Unlike their isotropic counterpart, the LLCs show collective dynamic effects at very low volume fraction of bacteria, on the order of 0.2%. Our work suggests an unorthodox design concept to control and manipulate the dynamic behavior of soft active matter and opens the door for potential biosensing and biomedical applications.

  17. Drilling technique for crystals

    NASA Technical Reports Server (NTRS)

    Hunter, T.; Miyagawa, I.

    1977-01-01

    Hole-drilling technique uses special crystal driller in which drill bit rotates at fixed position at speed of 30 rpm while crystal slowly advances toward drill. Technique has been successfully applied to crystal of Rochell salt, Triglycine sulfate, and N-acetyglycine. Technique limits heat buildup and reduces strain on crystal.

  18. Crystal Compton Camera

    SciTech Connect

    Ziock, Klaus-Peter; Braverman, Joshua B.; Harrison, Mark J.; Hornback, Donald Eric; Fabris, Lorenzo; Newby, Jason

    2013-09-26

    Stand-off detection is one of the most important radiation detection capabilities for arms control and the control of illicit nuclear materials. For long range passive detection one requires a large detector and a means of “seeing through” the naturally occurring and varying background radiation, i.e. imaging. Arguably, Compton imaging is the best approach over much of the emission band suitable for long range detection. It provides not only imaging, but more information about the direction of incidence of each detected gamma-ray than the alternate approach of coded-aperture imaging. The directional information allows one to reduce the background and hence improve the sensitivity of a measurement. However, to make an efficient Compton imager requires localizing and measuring the simultaneous energy depositions when gamma-rays Compton scatter and are subsequently captured within a single, large detector volume. This concept has been demonstrated in semi-conductor detectors (HPGe, CZT, Si) but at ~ $1k/cm3 these materials are too expensive to build the large systems needed for standoff detection. Scintillator detectors, such as NaI(Tl), are two orders of magnitude less expensive and possess the energy resolution required to make such an imager. However, they do not currently have the ability to localize closely spaced, simultaneous energy depositions in a single large crystal. In this project we are applying a new technique that should, for the first time ever, allow cubic-millimeter event localization in a bulk scintillator crystal.

  19. Better photonic crystal fibres

    NASA Astrophysics Data System (ADS)

    Knight, J. C.

    2008-11-01

    The development of optical fibers with two-dimensional patterns of air holes running down their length has reinvigorated research in the field of fiber optics. It has greatly - and fundamentally - broadened the range of specialty optical fibers, by demonstrating that optical fibers can be more 'special" than previously thought. Applications of such special fibers have not been hard to find. Fibers with air cores have made it possible to deliver energetic femtosecond-scale optical pulses, transform limited, as solitons, using single-mode fiber. Other fibers with anomalous dispersion at visible wavelengths have spawned a new generation of single-mode optical supercontinuum sources, spanning visible and near-infrared wavelengths and based on compact pump sources. A third example is in the field of fiber lasers, where the use of photonic crystal fiber concepts has led to a new hybrid laser technology, in which the very high numerical aperture available using air holes have enabled fibers so short they are more naturally held straight than bent. However, commercial success demands more than just a fiber and an application. The useful properties of the fibers need to be optimized for the specific application. This tutorial will describe some of the basic physics and technology behind these photonic crystal fibers (PCF's), illustrated with some of the impressive demonstrations of the past 18 months.

  20. Mixed crystal organic scintillators

    DOEpatents

    Zaitseva, Natalia P; Carman, M Leslie; Glenn, Andrew M; Hamel, Sebastien; Hatarik, Robert; Payne, Stephen A; Stoeffl, Wolfgang

    2014-09-16

    A mixed organic crystal according to one embodiment includes a single mixed crystal having two compounds with different bandgap energies, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source, wherein the signal response signature does not include a significantly-delayed luminescence characteristic of neutrons interacting with the organic crystal relative to a luminescence characteristic of gamma rays interacting with the organic crystal. According to one embodiment, an organic crystal includes bibenzyl and stilbene or a stilbene derivative, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source.

  1. CRYSTAL COLLIMATION AT RHIC.

    SciTech Connect

    FLILLER,R.P.,III.DREES,A.GASSNER,D.HAMMONS,L.MCINTYRE,G.PEGGS,S.TRBOJEVIC,D.BIRYUKOV,V.CHESNOKOV,Y.TEREKHOV,V.

    2003-06-19

    Crystal Channeling occurs when an ion enters a crystal with a small angle with respect to the crystal planes. The electrostatic interaction between the incoming ion and the lattice causes the ion to follow the crystal planes. By mechanically bending a crystal, it is possible to use a crystal to deflect ions. One novel use of a bent crystal is to use it to channel beam halo particles into a collimator downstream. By deflecting the halo particles into a collimator with a crystal it may be possible to improve collimation efficiency as compared to a single collimator. A bent crystal is installed in the yellow ring of the Relativistic Heavy Ion Collider (RHIC). In this paper we discuss our experience with the crystal collimator, and compare our results to previous data, simulation, and theoretical prediction.

  2. Crystallization of lithium borate glasses

    NASA Technical Reports Server (NTRS)

    Goktas, A. A.; Neilson, G. F.; Weinberg, M. C.

    1992-01-01

    The glass-forming ability and crystallization behavior of lithium borate compositions, in the diborate-to-metaborate-range, were studied. In particular, the nature and sequence of formation of crystalline phases and the tendency toward devitrification were investigated as functions of temperature, thermal history and batch composition. It was found that the sequence of crystalline phase formation was sensitive to all of the three latter factors, and it was observed that under certain conditions metastable defect structures of the metaborate can appear.

  3. Pressure cryocooling protein crystals

    DOEpatents

    Kim, Chae Un [Ithaca, NY; Gruner, Sol M [Ithaca, NY

    2011-10-04

    Preparation of cryocooled protein crystal is provided by use of helium pressurizing and cryocooling to obtain cryocooled protein crystal allowing collection of high resolution data and by heavier noble gas (krypton or xenon) binding followed by helium pressurizing and cryocooling to obtain cryocooled protein crystal for collection of high resolution data and SAD phasing simultaneously. The helium pressurizing is carried out on crystal coated to prevent dehydration or on crystal grown in aqueous solution in a capillary.

  4. Vortex crystals in fluids

    NASA Astrophysics Data System (ADS)

    Barry, Anna M.

    It is common in geophysical flows to observe localized regions of enhanced vorticity. This observation can be used to derive model equations to describe the motion and interaction of these localized regions, or vortices, and which are simpler than the original PDEs. The best known vortex model is derived from the incompressible Euler equations, and treats vortices as points in the plane. A large part of this dissertation utilizes this particular model, but we also survey other point vortex and weakly viscous models. The main focus of this thesis is an object known as the vortex crystal. These remarkable configurations of vortices maintain their basic shapes for long times, while perhaps rotating or translating rigidly in space. We study existence and stability of families of vortex crystals in the special case where N vortices have small and equal circulation and one vortex has large circulation. As the small circulation tends to zero, the weak vortices tend to a circle centered on the strong vortex. A special potential function of this limiting problem can be used to characterize orbits and stability. Whenever a critical point of this function is nondegenerate, we prove that the orbit can be continued via the Implicit Function Theorem, and its linear stability is determined by the eigenvalues of the Hessian matrix of the potential. For general N, we find at least three distinct families of critical points, one of which continues to a linearly stable class of vortex crystals. Because the stable family is most likely to be observed in nature, we study it extensively. Continuation methods allow us to follow these critical points to nonzero weak vortex strength and investigate stability and bifurcations. In the large N limit of this family, we prove that there is a unique one parameter family of distributions which minimize a "generalized" potential. Finally, we use point vortex and weakly viscous vortex models to analyze vortex crystal configurations observed in

  5. Crystallization and spectral studies of lead malonate

    NASA Astrophysics Data System (ADS)

    Abraham, K. E.; Mathew, Varghese; Joseph, Jochan; Jacob, Sabu

    2012-07-01

    The paper reports the preparation and spectroscopic studies of lead malonate crystals. The sample is grown by single diffusion gel technique employing sodium metasilicate. X-ray diffraction pattern of the sample reveals the crystalline nature. From diffuse reflectance spectroscopy studies, the band gap of the material is determined. The FTIR and FT Raman spectra of the grown crystals are recorded and the vibrational assignments have been made with possible explanations. The photoluminescence property of the title compound is also investigated.

  6. Growth and characterization of hexamethylenetetramine crystals grown from solution

    NASA Astrophysics Data System (ADS)

    Babu, B.; Chandrasekaran, J.; Balaprabhakaran, S.

    2014-06-01

    Organic nonlinear optical single crystals of hexamethylenetetramine (HMT; 10 × 10 × 5 mm3) were prepared by crystallization from methanol solution. The grown crystals were subjected to various characterization techniques such as single crystal XRD, powder XRD, UV-Vis and electrical studies. Single crystal XRD analysis confirmed the crystalline structure of the grown crystals. Their crystalline nature was also confirmed by powder XRD technique. The optical transmittance property was identified from UV-Vis spectrum. Dielectric measurements were performed as a function of frequency at different temperatures. DC conductivity and photoconductivity studies were also carried out for the crystal. The powder second harmonic generation efficiency (SHG) of the crystal was measured using Nd:YAG laser and the efficiency was found to be two times greater than that of potassium dihydrogen phosphate (KDP).

  7. Crystal growth and characterization of new semiorganic nonlinear optical single crystals

    NASA Astrophysics Data System (ADS)

    Kulshrestha, Shobha; Shrivastava, A. K.

    2016-05-01

    An organic material of a L-histidine monohydrochloride single crystal was grown in a distilled water solution using the slow evaporation method at 40-45°C. The grown crystal was transparent and colourless, with a size of about 20 × 9 × 5 mm3, obtained within a period of 21 days. The solubility of grown crystals have found out at various temperatures. The UV-visible transmittance studies show that the grown crystals have wide optical transparency in the entire visible region It is observed that the crystal has transparency window from 255nm to 700nm and its energy gap (Eg) found to be is 3.1eV. The grown crystal was subjected to powder X-ray diffraction analysis, confirming that the orthorhombic crystalline nature of the crystal. To identify the surface morphology, the as grown crystal was subjected to FE-SEM technique. The chemical composition of the grown crystal was estimated by Energy dispersive X-ray analysis. The optical behaviour of the grown crystal was analyzed by PL study.

  8. Crystal growth and characterization of new semiorganic nonlinear optical single crystals

    SciTech Connect

    Kulshrestha, Shobha Shrivastava, A. K.

    2016-05-06

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

  9. Weak crystallization theory of metallic alloys

    NASA Astrophysics Data System (ADS)

    Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.

    2016-06-01

    Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theory cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. We identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. As an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.

  10. Weak crystallization theory of metallic alloys

    DOE PAGES

    Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.

    2016-06-20

    Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theorymore » cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. In this paper, we identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. Finally, as an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.« less

  11. Weak crystallization theory of metallic alloys

    SciTech Connect

    Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.

    2016-06-20

    Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theory cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. In this paper, we identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. Finally, as an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.

  12. CRYSTALLIZATION IN MULTICOMPONENT GLASSES

    SciTech Connect

    KRUGER AA; HRMA PR

    2009-10-08

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

  13. Laboratory studies of crystal growth in magma

    NASA Astrophysics Data System (ADS)

    Hammer, J. E.; Welsch, B. T.; First, E.; Shea, T.

    2012-12-01

    The proportions, compositions, and interrelationships among crystalline phases and glasses in volcanic rocks cryptically record pre-eruptive intensive conditions, the timing of changes in crystallization environment, and the devolatilization history of eruptive ascent. These parameters are recognized as important monitoring tools at active volcanoes and interpreting geologic events at prehistoric and remote eruptions, thus motivating our attempts to understand the information preserved in crystals through an experimental appoach. We are performing laboratory experiments in mafic, felsic, and intermediate composition magmas to study the mechanisms of crystal growth in thermochemical environments relevant to volcanic environments. We target features common to natural crystals in igneous rocks for our experimental studies of rapid crystal growth phenomena: (1) Surface curvature. Do curved interfaces and spongy cores represent evidence of dissolution (i.e., are they corrosion features), or do they record the transition from dendritic to polyhedral morphology? (2) Trapped melt inclusions. Do trapped liquids represent bulk (i.e., far-field) liquids, boundary layer liquids, or something intermediate, depending on individual species diffusivity? What sequence of crystal growth rates leads to preservation of sealed melt inclusions? (3) Subgrain boundaries. Natural phenocrysts commonly exhibit tabular subgrain regions distinguished by small angle lattice misorientations or "dislocation lamellae" and undulatory extinction. Might these crystal defects be produced as dendrites undergo ripening? (4) Clusters. Contacting clusters of polymineralic crystals are the building blocks of cumulates, and are ubiquitous features of mafic volcanic rocks. Are plagioclase and clinopyroxene aligned crystallographically, suggesting an epitaxial (surface energy) relationship? (5) Log-normal size distribution. What synthetic cooling histories produce "natural" distributions of crystal sizes, and

  14. Controlling spontaneous emission in bioreplica photonic crystals

    NASA Astrophysics Data System (ADS)

    Jorgensen, Matthew R.; Butler, Elizabeth S.; Bartl, Michael H.

    2012-04-01

    Sophisticated methods have been created by nature to produce structure-based colors as a way to address the need of a wide variety of organisms. This pallet of available structures presents a unique opportunity for the investigation of new photonic crystal designs. Low-temperature sol-gel biotemplating methods were used to transform a single biotemplate into a variety of inorganic oxide structures. The density of optical states was calculated for a diamond-based natural photonic crystal, as well as several structures templated from it. Calculations were experimentally probed by spontaneous emission studies using time correlated single photon counting measurements.

  15. Growth of dopamine crystals

    SciTech Connect

    Patil, Vidya Patki, Mugdha

    2016-05-06

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

  16. Apparatus for growing crystals

    NASA Technical Reports Server (NTRS)

    Jasinski, Thomas J. (Inventor); Witt, August F. (Inventor)

    1986-01-01

    An improved apparatus and method for growing crystals from a melt employing a heat pipe, consisting of one or more sections, each section serving to control temperature and thermal gradients in the crystal as it forms inside the pipe.

  17. Crystallization Pathways in Biomineralization

    NASA Astrophysics Data System (ADS)

    Weiner, Steve; Addadi, Lia

    2011-08-01

    A crystallization pathway describes the movement of ions from their source to the final product. Cells are intimately involved in biological crystallization pathways. In many pathways the cells utilize a unique strategy: They temporarily concentrate ions in intracellular membrane-bound vesicles in the form of a highly disordered solid phase. This phase is then transported to the final mineralization site, where it is destabilized and crystallizes. We present four case studies, each of which demonstrates specific aspects of biological crystallization pathways: seawater uptake by foraminifera, calcite spicule formation by sea urchin larvae, goethite formation in the teeth of limpets, and guanine crystal formation in fish skin and spider cuticles. Three representative crystallization pathways are described, and aspects of the different stages of crystallization are discussed. An in-depth understanding of these complex processes can lead to new ideas for synthetic crystallization processes of interest to materials science.

  18. Crystal structure and prediction.

    PubMed

    Thakur, Tejender S; Dubey, Ritesh; Desiraju, Gautam R

    2015-04-01

    The notion of structure is central to the subject of chemistry. This review traces the development of the idea of crystal structure since the time when a crystal structure could be determined from a three-dimensional diffraction pattern and assesses the feasibility of computationally predicting an unknown crystal structure of a given molecule. Crystal structure prediction is of considerable fundamental and applied importance, and its successful execution is by no means a solved problem. The ease of crystal structure determination today has resulted in the availability of large numbers of crystal structures of higher-energy polymorphs and pseudopolymorphs. These structural libraries lead to the concept of a crystal structure landscape. A crystal structure of a compound may accordingly be taken as a data point in such a landscape.

  19. Growth of dopamine crystals

    NASA Astrophysics Data System (ADS)

    Patil, Vidya; Patki, Mugdha

    2016-05-01

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

  20. Crystal Structure and Prediction

    NASA Astrophysics Data System (ADS)

    Thakur, Tejender S.; Dubey, Ritesh; Desiraju, Gautam R.

    2015-04-01

    The notion of structure is central to the subject of chemistry. This review traces the development of the idea of crystal structure since the time when a crystal structure could be determined from a three-dimensional diffraction pattern and assesses the feasibility of computationally predicting an unknown crystal structure of a given molecule. Crystal structure prediction is of considerable fundamental and applied importance, and its successful execution is by no means a solved problem. The ease of crystal structure determination today has resulted in the availability of large numbers of crystal structures of higher-energy polymorphs and pseudopolymorphs. These structural libraries lead to the concept of a crystal structure landscape. A crystal structure of a compound may accordingly be taken as a data point in such a landscape.

  1. Microgravity protein crystallization

    PubMed Central

    McPherson, Alexander; DeLucas, Lawrence James

    2015-01-01

    Over the past 20 years a variety of technological advances in X-ray crystallography have shortened the time required to determine the structures of large macromolecules (i.e., proteins and nucleic acids) from several years to several weeks or days. However, one of the remaining challenges is the ability to produce diffraction-quality crystals suitable for a detailed structural analysis. Although the development of automated crystallization systems combined with protein engineering (site-directed mutagenesis to enhance protein solubility and crystallization) have improved crystallization success rates, there remain hundreds of proteins that either cannot be crystallized or yield crystals of insufficient quality to support X-ray structure determination. In an attempt to address this bottleneck, an international group of scientists has explored use of a microgravity environment to crystallize macromolecules. This paper summarizes the history of this international initiative along with a description of some of the flight hardware systems and crystallization results. PMID:28725714

  2. Photonic Crystal Fibers

    DTIC Science & Technology

    2005-12-01

    passive and active versions of each fiber designed under this task. Crystal Fibre shall provide characteristics of the fiber fabricated to include core...passive version of multicore fiber iteration 2. 15. SUBJECT TERMS EOARD, Laser physics, Fibre Lasers, Photonic Crystal, Multicore, Fiber Laser 16...9 00* 0 " CRYSTAL FIBRE INT ODUCTION This report describes the photonic crystal fibers developed under agreement No FA8655-o5-a- 3046. All

  3. CRYSTAL FILTER TEST SET

    DTIC Science & Technology

    CRYSTAL FILTERS, *HIGH FREQUENCY, *RADIOFREQUENCY FILTERS, AMPLIFIERS, ELECTRIC POTENTIAL, FREQUENCY, IMPEDANCE MATCHING , INSTRUMENTATION, RADIOFREQUENCY, RADIOFREQUENCY AMPLIFIERS, TEST EQUIPMENT, TEST METHODS

  4. Apparatus for mounting crystal

    DOEpatents

    Longeway, Paul A.

    1985-01-01

    A thickness monitor useful in deposition or etching reactor systems comprising a crystal-controlled oscillator in which the crystal is deposited or etched to change the frequency of the oscillator. The crystal rests within a thermally conductive metallic housing and arranged to be temperature controlled. Electrode contacts are made to the surface primarily by gravity force such that the crystal is substantially free of stress otherwise induced by high temperature.

  5. Crystallization from Gels

    NASA Astrophysics Data System (ADS)

    Narayana Kalkura, S.; Natarajan, Subramanian

    Among the various crystallization techniques, crystallization in gels has found wide applications in the fields of biomineralization and macromolecular crystallization in addition to crystallizing materials having nonlinear optical, ferroelectric, ferromagnetic, and other properties. Furthermore, by using this method it is possible to grow single crystals with very high perfection that are difficult to grow by other techniques. The gel method of crystallization provides an ideal technique to study crystal deposition diseases, which could lead to better understanding of their etiology. This chapter focuses on crystallization in gels of compounds that are responsible for crystal deposition diseases. The introduction is followed by a description of the various gels used, the mechanism of gelling, and the fascinating phenomenon of Liesegang ring formation, along with various gel growth techniques. The importance and scope of study on crystal deposition diseases and the need for crystal growth experiments using gel media are stressed. The various crystal deposition diseases, viz. (1) urolithiasis, (2) gout or arthritis, (3) cholelithiasis and atherosclerosis, and (4) pancreatitis and details regarding the constituents of the crystal deposits responsible for the pathological mineralization are discussed. Brief accounts of the theories of the formation of urinary stones and gallstones and the role of trace elements in urinary stone formation are also given. The crystallization in gels of (1) the urinary stone constituents, viz. calcium oxalate, calcium phosphates, uric acid, cystine, etc., (2) the constituents of the gallstones, viz. cholesterol, calcium carbonate, etc., (3) the major constituent of the pancreatic calculi, viz., calcium carbonate, and (4) cholic acid, a steroidal hormone are presented. The effect of various organic and inorganic ions, trace elements, and extracts from cereals, herbs, and fruits on the crystallization of major urinary stone and gallstone

  6. Anomalous variations of crystal habits and solution properties in the context of the crystallization medium structure

    NASA Astrophysics Data System (ADS)

    Kiryanova, E. V.; Ugolkov, V. L.; Pyankova, L. A.; Filatov, S. K.

    2009-12-01

    The effect of the real structure of solutions on crystallization is one of the basic issues of crystallogenesis, which is also important for resolving problems of genetic mineralogy. The study of the NaNO3-H2O and KNO3-H2O model systems yielded new data on anomalous characteristics of crystal-forming systems, including morphological and kinetic properties of crystals, crystal-solution equilibrium, and physical properties of solutions (light scattering, thermal properties, IR parameters, pH), providing information on the structure of solutions. The internally consistent data confirm the previously suggested variations in structural heterogeneity of solutions related to minor (2-4%) variations in their composition, which result in numerous disturbances of monotonicity (thermal-concentration oscillations) in the liquidus curves of salts. It is shown that these variations can be caused by variable size and composition of crystal hydrate clusters. The experimental data indicate that the effect of the real solution structure on crystal morphology and crystal-solution equilibrium is enhanced in multicomponent systems, including natural crystal-forming systems. Anomalous faceting and habit, zoning, a sectorial structure of crystals, and nonuniform entrapment of admixtures cannot be ruled out in these systems.

  7. A single-crystal neutron and X-ray diffraction study of pezzottaite, Cs(Be2Li)Al2Si6O18

    NASA Astrophysics Data System (ADS)

    Gatta, G. Diego; Adamo, Ilaria; Meven, Martin; Lambruschi, Erica

    2012-11-01

    The chemical composition and the crystal structure of pezzottaite [ideal composition Cs(Be2Li)Al2Si6O18; space group: {{R}} overline{{3}} c, a = 15.9615(6) Å, c = 27.8568(9) Å] from the type locality in Ambatovita (central Madagascar) were investigated by electron microprobe analysis in wavelength dispersive mode, thermo-gravimetric analysis, Fourier-transform infrared spectroscopy, single-crystal X-ray (at 298 K) and neutron (at 2.3 K) diffraction. The average chemical formula of the sample of pezzottaite resulted Cs1,Cs2(Cs0.565Rb0.027K0.017)Σ0.600 Na1,Na2(Na0.101Ca0.024)Σ0.125Be2.078Li0.922 Al1,Al2(Mg0.002Mn0.002Fe0.003Al1.978)Σ1.985 Si1,Si2,Si3(Al0.056Si5.944)Σ6O18·0.27H2O. The (unpolarized) IR spectrum over the region 3,800-600 cm-1 was collected and a comparison with the absorption bands found in beryl carried out. In particular, two-weak absorption bands ascribable to the fundamental H2O stretching vibrations (i.e. 3,591 and 3,545 cm-1) were observed, despite the mineral being nominally anhydrous. The X-ray and neutron structure refinements showed: ( a) a non-significant presence of aluminium, beryllium or lithium at the Si1, Si2 and Si3 sites, ( b) the absence (at a significant level) of lithium at the octahedral Al1, Al2 and Al3 sites and ( c) a partial lithium/beryllium disordering between tetrahedral Be and Li sites.

  8. Lunar Magma Ocean Crystallization: Constraints from Fractional Crystallization Experiments

    NASA Technical Reports Server (NTRS)

    Rapp, J. F.; Draper, D. S.

    2015-01-01

    The currently accepted paradigm of lunar formation is that of accretion from the ejecta of a giant impact, followed by crystallization of a global scale magma ocean. This model accounts for the formation of the anorthosite highlands crust, which is globally distributed and old, and the formation of the younger mare basalts which are derived from a source region that has experienced plagioclase extraction. Several attempts at modelling the crystallization of such a lunar magma ocean (LMO) have been made, but our ever-increasing knowledge of the lunar samples and surface have raised as many questions as these models have answered. Geodynamic models of lunar accretion suggest that shortly following accretion the bulk of the lunar mass was hot, likely at least above the solidus]. Models of LMO crystallization that assume a deep magma ocean are therefore geodynamically favorable, but they have been difficult to reconcile with a thick plagioclase-rich crust. A refractory element enriched bulk composition, a shallow magma ocean, or a combination of the two have been suggested as a way to produce enough plagioclase to account for the assumed thickness of the crust. Recently however, geophysical data from the GRAIL mission have indicated that the lunar anorthositic crust is not as thick as was initially estimated, which allows for both a deeper magma ocean and a bulk composition more similar to the terrestrial upper mantle. We report on experimental simulations of the fractional crystallization of a deep (approximately 100km) LMO with a terrestrial upper mantle-like (LPUM) bulk composition. Our experimental results will help to define the composition of the lunar crust and mantle cumulates, and allow us to consider important questions such as source regions of the mare basalts and Mg-suite, the role of mantle overturn after magma ocean crystallization and the nature of KREEP

  9. Triangular ice crystals

    NASA Astrophysics Data System (ADS)

    Murray, Benjamin; Salzmann, Christoph; Heymsfield, Andrew; Neely, Ryan

    2014-05-01

    We are all familiar with the hexagonal form of snow crystals and it is well established that this shape is derived from the arrangement of water molecules in the crystal lattice. However, crystals with a triangular form are often found in the Earth's atmosphere and the reason for this non-hexagonal shape has remained elusive. Recent laboratory work has shed light on why ice crystals should take on this triangular or three-fold scalene habit. Studies of the crystal structure of ice have shown that ice which initially crystallises can be made of up of hexagonal layers which are interlaced with cubic layers to produce a 'stacking disordered ice'. The degree of stacking disorder can vary from crystals which are dominantly hexagonal with a few cubic stacking faults, through to ice where the cubic and hexagonal sequences are fully randomised. The introduction of stacking disorder to ice crystals reduces the symmetry of the crystal from 6-fold (hexagonal) to 3-fold (triangular); this offers an explanation for the long standing problem of why some atmospheric ice crystals have a triangular habit. We discuss the implications of triangular crystals for halos, radiative properties, and also discuss the implications for our understanding of the nucleation and early stages of ice crystal growth for ice crystals in the atmosphere.

  10. Artistic Crystal Creations

    ERIC Educational Resources Information Center

    Lange, Catherine

    2008-01-01

    In this inquiry-based, integrative art and science activity, Grade 5-8 students use multicolored Epsom salt (magnesium sulfate) crystallizing solutions to reveal beautiful, cylindrical, 3-dimensional, needle-shaped structures. Through observations of the crystal art, students analyze factors that contribute to crystal size and formation, compare…

  11. Food Crystalization and Eggs

    USDA-ARS?s Scientific Manuscript database

    Food Crystalization and Eggs Deana R. Jones, Ph.D. USDA Agricultural Research Service Egg Safety and Quality Research Unit Athens, Georgia, USA Deana.Jones@ars.usda.gov Sugar, salt, lactose, tartaric acid and ice are examples of constituents than can crystallize in foods. Crystallization in a foo...

  12. Annealing macromolecular crystals.

    PubMed

    Hanson, B Leif; Bunick, Gerard J

    2007-01-01

    The process of crystal annealing has been used to improve the quality of diffraction from crystals that would otherwise be discarded for displaying unsatisfactory diffraction after flash cooling. Although techniques and protocols vary, macromolecular crystals are annealed by warming the flash-cooled crystal, then flash cooling it again. To apply macromolecular crystal annealing, a flash-cooled crystal displaying unacceptably high mosaicity or diffraction from ice is removed from the goniometer and immediately placed in cryoprotectant buffer. The crystal is incubated in the buffer at either room temperature or the temperature at which the crystal was grown. After about 3 min, the crystal is remounted in the loop and flash cooled. In situ annealing techniques, where the cold stream is diverted and the crystal allowed to warm on the loop prior to flash cooling, are variations of annealing that appears to work best when large solvent channels are not present in the crystal lattice or the solvent content of the crystal is relatively low.

  13. Artistic Crystal Creations

    ERIC Educational Resources Information Center

    Lange, Catherine

    2008-01-01

    In this inquiry-based, integrative art and science activity, Grade 5-8 students use multicolored Epsom salt (magnesium sulfate) crystallizing solutions to reveal beautiful, cylindrical, 3-dimensional, needle-shaped structures. Through observations of the crystal art, students analyze factors that contribute to crystal size and formation, compare…

  14. Protein Crystal Based Nanomaterials

    NASA Technical Reports Server (NTRS)

    Bell, Jeffrey A.; VanRoey, Patrick

    2001-01-01

    This is the final report on a NASA Grant. It concerns a description of work done, which includes: (1) Protein crystals cross-linked to form fibers; (2) Engineering of protein to favor crystallization; (3) Better knowledge-based potentials for protein-protein contacts; (4) Simulation of protein crystallization.

  15. Fast Crystals and Strong Glasses

    SciTech Connect

    Weitz, David

    2009-11-04

    This talk describes new results on model colloid systems that provide insight into the behavior of fundamental problems in colloid physics, and more generally, for other materials as well. By visualizing the nucleation and growth of colloid crystals, we find that the incipient crystallites are much more disordered than expected, leading to a larger diversity of crystal morphologies. When the entropic contribution of these diverse morphologies is included in the free energy, we are able to describe the behavior very well, and can predict the nucleation rate surprisingly accurately. The talk also describes the glass transition in deformable colloidal particles, and will show that when the internal elasticity of the particles is included, the colloidal glass transition mimics that of molecular glass formers much more completely. These results also suggest that the elasticity at the scale of the fundamental unit, either colloid particle or molecule, determines the nature of the glass transition, as described by the "fragility."

  16. Maximizing Macromolecule Crystal Size for Neutron Diffraction Experiments

    NASA Technical Reports Server (NTRS)

    Judge, R. A.; Kephart, R.; Leardi, R.; Myles, D. A.; Snell, E. H.; vanderWoerd, M.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    A challenge in neutron diffraction experiments is growing large (greater than 1 cu mm) macromolecule crystals. In taking up this challenge we have used statistical experiment design techniques to quickly identify crystallization conditions under which the largest crystals grow. These techniques provide the maximum information for minimal experimental effort, allowing optimal screening of crystallization variables in a simple experimental matrix, using the minimum amount of sample. Analysis of the results quickly tells the investigator what conditions are the most important for the crystallization. These can then be used to maximize the crystallization results in terms of reducing crystal numbers and providing large crystals of suitable habit. We have used these techniques to grow large crystals of Glucose isomerase. Glucose isomerase is an industrial enzyme used extensively in the food industry for the conversion of glucose to fructose. The aim of this study is the elucidation of the enzymatic mechanism at the molecular level. The accurate determination of hydrogen positions, which is critical for this, is a requirement that neutron diffraction is uniquely suited for. Preliminary neutron diffraction experiments with these crystals conducted at the Institute Laue-Langevin (Grenoble, France) reveal diffraction to beyond 2.5 angstrom. Macromolecular crystal growth is a process involving many parameters, and statistical experimental design is naturally suited to this field. These techniques are sample independent and provide an experimental strategy to maximize crystal volume and habit for neutron diffraction studies.

  17. Maximizing Macromolecule Crystal Size for Neutron Diffraction Experiments

    NASA Technical Reports Server (NTRS)

    Judge, R. A.; Kephart, R.; Leardi, R.; Myles, D. A.; Snell, E. H.; vanderWoerd, M.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    A challenge in neutron diffraction experiments is growing large (greater than 1 cu mm) macromolecule crystals. In taking up this challenge we have used statistical experiment design techniques to quickly identify crystallization conditions under which the largest crystals grow. These techniques provide the maximum information for minimal experimental effort, allowing optimal screening of crystallization variables in a simple experimental matrix, using the minimum amount of sample. Analysis of the results quickly tells the investigator what conditions are the most important for the crystallization. These can then be used to maximize the crystallization results in terms of reducing crystal numbers and providing large crystals of suitable habit. We have used these techniques to grow large crystals of Glucose isomerase. Glucose isomerase is an industrial enzyme used extensively in the food industry for the conversion of glucose to fructose. The aim of this study is the elucidation of the enzymatic mechanism at the molecular level. The accurate determination of hydrogen positions, which is critical for this, is a requirement that neutron diffraction is uniquely suited for. Preliminary neutron diffraction experiments with these crystals conducted at the Institute Laue-Langevin (Grenoble, France) reveal diffraction to beyond 2.5 angstrom. Macromolecular crystal growth is a process involving many parameters, and statistical experimental design is naturally suited to this field. These techniques are sample independent and provide an experimental strategy to maximize crystal volume and habit for neutron diffraction studies.

  18. Controlled crystallization of emerald from the fluxed melt

    NASA Astrophysics Data System (ADS)

    Barilo, S. N.; Bychkov, G. L.; Kurnevich, L. A.; Leonuk, N. I.; Mikhailov, V. P.; Shiryaev, S. V.; Koyava, V. T.; Smirnova, T. V.

    1999-03-01

    The problem of controlled crystallization of emerald single crystals from a fluxed melt, its colour characteristics and optic parameters are discussed. Properties of the as-grown single crystals are very much like those of natural gems. Emeralds weighting as much as 150 ct grown on oriented seeds in dynamical regime feature small dichroism, uniform distribution of colour in the volume to offer good jewelry characteristics. The (1 0 1¯ 0) and (1 1 2¯ 0) cuts of previously grown crystals is established to be the optimal seed. The technique has the advantage of maintaining the optimal concentration ratio of the solute near the crystallization front through adequate stirring by a platinum crystal holder is rotated at a rate of 30 rounds per minute, and seed positioning. To examine emerald crystals quality we have performed a laser experiment and threshold measurements. Lasing was achieved at absorbed pump energy threshold of less than 0.6 mJ.

  19. Protein crystallization with paper

    NASA Astrophysics Data System (ADS)

    Matsuoka, Miki; Kakinouchi, Keisuke; Adachi, Hiroaki; Maruyama, Mihoko; Sugiyama, Shigeru; Sano, Satoshi; Yoshikawa, Hiroshi Y.; Takahashi, Yoshinori; Yoshimura, Masashi; Matsumura, Hiroyoshi; Murakami, Satoshi; Inoue, Tsuyoshi; Mori, Yusuke; Takano, Kazufumi

    2016-05-01

    We developed a new protein crystallization method that incorporates paper. A small piece of paper, such as facial tissue or KimWipes, was added to a drop of protein solution in the traditional sitting drop vapor diffusion technique, and protein crystals grew by incorporating paper. By this method, we achieved the growth of protein crystals with reducing osmotic shock. Because the technique is very simple and the materials are easy to obtain, this method will come into wide use for protein crystallization. In the future, it could be applied to nanoliter-scale crystallization screening on a paper sheet such as in inkjet printing.

  20. Improving marginal crystals.

    PubMed

    Carter, Charles W; Riès-Kautt, Madeleine

    2007-01-01

    The physical chemistry of crystal growth can help to identify directions in which to look for improved crystal properties. In this chapter, we summarize how crystal growth depends on parameters that can be controlled experimentally, and relate them to the tools available for optimizing a particular crystal form for crystal shape, volume, and diffraction quality. Our purpose is to sketch the conceptual basis of optimization and to provide sample protocols derived from those foundations. We hope to assist even those who chose not to use systematic methods by enabling them to carry out rudimentary optimization searches armed with a better understanding of how the underlying physical chemistry operates.

  1. Qualification study of LiF flight crystals for the Objective Crystal Spectrometer on the SPECTRUM-X-GAMMA satellite

    NASA Astrophysics Data System (ADS)

    Christensen, F. E.; Rasmussen, I.; Schnopper, H. W.; Wiebicke, H.; Halm, I.; Geppert, U.; Borozdin, K.

    1992-10-01

    The Objective Crystal Spectrometer (OXS) on the SPECTRUM-X-GAMMA satellite will carry three types of natural crystals LiF(220), Ge(111) and RAP(001). They will be used to study, among others, the H- and the He-like emission from the cosmically important elements Fe, S, Ar and O. More than 300 LiF-crystals of dimension about 23 x 63 sq mm are required to cover one side of a large (about 1000 x 600 sq mm) panel which is to be mounted in front of one of the high throughput X-ray telescopes. A qualification study examined a large sample of LiF(220) crystals at Cu-K-(alpha)2 (8.0278 keV). Data from 124 flight crystals yields an average FWHM of rocking curves of 2.3 arcmin with a standard deviation of 0.4 arcmin. For more than 80 percent of the crystals, angular deviation of the (220) planes from the actual crystal surface is less than 1.5 arcmin. These data will be used to select the best crystals for the flight panel and will determine precisely the orientation of the crystals mounted on the OXS. Eight crystals were glued onto a small test panel of the OXS and for only one crystal was there measured a significant deviation of the crystal properties, including alignment relative to the others.

  2. Macromolecular Crystal Growth by Means of Microfluidics

    NASA Technical Reports Server (NTRS)

    vanderWoerd, Mark; Ferree, Darren; Spearing, Scott; Monaco, Lisa; Molho, Josh; Spaid, Michael; Brasseur, Mike; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    We have performed a feasibility study in which we show that chip-based, microfluidic (LabChip(TM)) technology is suitable for protein crystal growth. This technology allows for accurate and reliable dispensing and mixing of very small volumes while minimizing bubble formation in the crystallization mixture. The amount of (protein) solution remaining after completion of an experiment is minimal, which makes this technique efficient and attractive for use with proteins, which are difficult or expensive to obtain. The nature of LabChip(TM) technology renders it highly amenable to automation. Protein crystals obtained in our initial feasibility studies were of excellent quality as determined by X-ray diffraction. Subsequent to the feasibility study, we designed and produced the first LabChip(TM) device specifically for protein crystallization in batch mode. It can reliably dispense and mix from a range of solution constituents into two independent growth wells. We are currently testing this design to prove its efficacy for protein crystallization optimization experiments. In the near future we will expand our design to incorporate up to 10 growth wells per LabChip(TM) device. Upon completion, additional crystallization techniques such as vapor diffusion and liquid-liquid diffusion will be accommodated. Macromolecular crystallization using microfluidic technology is envisioned as a fully automated system, which will use the 'tele-science' concept of remote operation and will be developed into a research facility for the International Space Station as well as on the ground.

  3. Gravitational crystal inside the black hole

    NASA Astrophysics Data System (ADS)

    Nikolić, Hrvoje

    2015-10-01

    Crystals, as quantum objects typically much larger than their lattice spacing, are counterexamples to a frequent prejudice that quantum effects should not be pronounced at macroscopic distances. We propose that the Einstein theory of gravity only describes a fluid phase and that a phase transition of crystallization can occur under extreme conditions such as those inside the black hole. Such a crystal phase with lattice spacing of the order of the Planck length offers a natural mechanism for pronounced quantum-gravity effects at distances much larger than the Planck length. A resolution of the black hole information paradox is proposed, according to which all information is stored in a crystal-phase remnant with size and mass much above the Planck scale.

  4. Macromolecular complexes in crystals and solutions

    PubMed Central

    Krissinel, Evgeny

    2011-01-01

    This paper presents a discussion of existing methods for the analysis of macromolecular interactions and complexes in crystal packing. Typical situations and conditions where wrong answers may be obtained in the course of ordinary procedures are presented and discussed. The more general question of what the relationship is between natural (in-solvent) and crystallized assemblies is discussed and researched. A computational analysis suggests that weak interactions with K d ≥ 100 µM have a considerable chance of being lost during the course of crystallization. In such instances, crystal packing misrepresents macromolecular complexes and interactions. For as many as 20% of protein dimers in the PDB the likelihood of misrepresentation is estimated to be higher than 50%. Given that weak macromolecular interactions play an important role in many biochemical processes, these results suggest that a complementary noncrystallographic study should be always conducted when inferring structural aspects of weakly bound complexes. PMID:21460456

  5. Formation of a crystal nucleus from liquid

    PubMed Central

    Kawasaki, Takeshi; Tanaka, Hajime

    2010-01-01

    Crystallization is one of the most fundamental nonequilibrium phenomena universal to a variety of materials. It has so far been assumed that a supercooled liquid is in a “homogeneous disordered state” before crystallization. Contrary to this common belief, we reveal that a supercooled colloidal liquid is actually not homogeneous, but has transient medium-range structural order. We find that nucleation preferentially takes place in regions of high structural order via wetting effects, which reduce the crystal–liquid interfacial energy significantly and thus promotes crystal nucleation. This novel scenario provides a clue to solving a long-standing mystery concerning a large discrepancy between the rigorous numerical estimation of the nucleation rate on the basis of the classical nucleation theory and the experimentally observed ones. Our finding may shed light not only on the mechanism of crystal nucleation, but also on the fundamental nature of a supercooled liquid state. PMID:20663951

  6. Neutron detection with single crystal organic scintillators

    SciTech Connect

    Zaitseva, N; Newby, J; Hamel, S; Carman, L; Faust, M; Lordi, V; Cherepy, N; Stoeffl, W; Payne, S

    2009-07-15

    Detection of high-energy neutrons in the presence of gamma radiation background utilizes pulse-shape discrimination (PSD) phenomena in organics studied previously only with limited number of materials, mostly liquid scintillators and single crystal stilbene. The current paper presents the results obtained with broader varieties of luminescent organic single crystals. The studies involve experimental tools of crystal growth and material characterization in combination with the advanced computer modeling, with the final goal of better understanding the relevance between the nature of the organic materials and their PSD properties. Special consideration is given to the factors that may diminish or even completely obscure the PSD properties in scintillating crystals. Among such factors are molecular and crystallographic structures that determine exchange coupling and exciton mobility in organic materials and the impurity effect discussed on the examples of trans-stilbene, bibenzyl, 9,10-diphenylanthracene and diphenylacetylene.

  7. Anisotropic Shock Propagation in Single Crystals

    SciTech Connect

    Eggert, J; Hicks, D; Celliers, P; Bradley, D; Cox, J; Unites, W; Collins, G; McWilliams, R; Jeanloz, R; Bruygoo, S; Loubeyre, P

    2005-05-26

    Most single-crystal shock experiments have been performed in high-symmetry directions while the nature of shock propagation in low-symmetry directions remains relatively unstudied. It is well known that small-amplitude, linear acoustic waves propagating in low-symmetry directions can focus and/or form caustics (Wolfe, 1995). In this report we provide evidence for similar focusing behavior in nonlinear (shock) waves propagating in single crystals of silicon and diamond. Using intense lasers, we have driven non-planar (divergent geometry) shock waves through single-crystals of silicon or diamond and into an isotropic backing plate. On recovery of the backing plates we observe a depression showing evidence of anisotropic plastic strain with well-defined crystallographic registration. We observe 4-, 2-, and 3-fold symmetric impressions for [100], [110], and [111] oriented crystals respectively.

  8. Effect of L-Valine on the growth and characterization of Sodium Acid Phthalate (SAP) single crystals

    NASA Astrophysics Data System (ADS)

    Nirmala, L. Ruby; Prakash, J. Thomas Joseph

    2013-06-01

    Undoped and amino acid doped good quality single crystals of Sodium Acid Phthalate crystals (SAP) were grown by slow evaporation solution growth technique which are semiorganic in nature. The effect of amino acid (L-Valine) dopant on the growth and the properties of SAP single crystal was investigated. The single crystal X-ray diffraction studies and FT-IR studies were carried out to identify the crystal structure and the presence of functional groups in undoped and L-Valine doped SAP crystals. The transparent nature of the grown crystal was observed using UV-Visible spectrum. The thermal decomposition of the doped SAP crystals was investigated by thermo gravimetric analysis (TGA) and differential thermal analysis (DTA). The enhancement in the NLO property of the undoped and L-Valine doped SAP crystals using KDP crystal as a reference was studied using SHG measurements. Vickers micro hardness measurements are used for the study of mechanical strength of the grown crystals.

  9. Photonic crystal light source

    DOEpatents

    Fleming, James G [Albuquerque, NM; Lin, Shawn-Yu [Albuquerque, NM; Bur, James A [Corrales, NM

    2004-07-27

    A light source is provided by a photonic crystal having an enhanced photonic density-of-states over a band of frequencies and wherein at least one of the dielectric materials of the photonic crystal has a complex dielectric constant, thereby producing enhanced light emission at the band of frequencies when the photonic crystal is heated. The dielectric material can be a metal, such as tungsten. The spectral properties of the light source can be easily tuned by modification of the photonic crystal structure and materials. The photonic crystal light source can be heated electrically or other heating means. The light source can further include additional photonic crystals that exhibit enhanced light emission at a different band of frequencies to provide for color mixing. The photonic crystal light source may have applications in optical telecommunications, information displays, energy conversion, sensors, and other optical applications.

  10. Protein Crystal Growth

    NASA Technical Reports Server (NTRS)

    2003-01-01

    In order to rapidly and efficiently grow crystals, tools were needed to automatically identify and analyze the growing process of protein crystals. To meet this need, Diversified Scientific, Inc. (DSI), with the support of a Small Business Innovation Research (SBIR) contract from NASA s Marshall Space Flight Center, developed CrystalScore(trademark), the first automated image acquisition, analysis, and archiving system designed specifically for the macromolecular crystal growing community. It offers automated hardware control, image and data archiving, image processing, a searchable database, and surface plotting of experimental data. CrystalScore is currently being used by numerous pharmaceutical companies and academic and nonprofit research centers. DSI, located in Birmingham, Alabama, was awarded the patent Method for acquiring, storing, and analyzing crystal images on March 4, 2003. Another DSI product made possible by Marshall SBIR funding is VaporPro(trademark), a unique, comprehensive system that allows for the automated control of vapor diffusion for crystallization experiments.

  11. Crystal growth, structural and thermal studies of amino acids admixtured L-arginine phosphate monohydrate single crystals

    NASA Astrophysics Data System (ADS)

    Anandan, P.; Saravanan, T.; Parthipan, G.; Kumar, R. Mohan; Bhagavannarayana, G.; Ravi, G.; Jayavel, R.

    2011-05-01

    To study the improved characteristics of L-arginine phosphate monohydrate (LAP) crystals, amino acids mixed LAP crystals have been grown by slow cooling method. Amino acids like glycine, L-alanine, and L-valine have been selected for doping. Optical quality bulk crystals have been harvested after a typical growth period of about twenty days. The effect of amino acids in the crystal lattice and molecular vibrational frequencies of various functional groups in the crystals have been studied using X-ray powder diffraction and Fourier Transform infrared (FTIR) analyses respectively. Thermal behavior of the amino acids mixed LAP crystals have been studied from the TG and DTG analyses. High-resolution X-ray diffraction studies have been carried out to find the crystalline nature. Optical transmission studies have been carried out by UV-vis spectrophotometer. The cut off wavelength is below 240 nm for the grown crystals.

  12. Natural Xanthones

    NASA Astrophysics Data System (ADS)

    Denisova-Dyatlova, O. A.; Glyzin, V. I.

    1982-10-01

    The available information on the abundance of natural xanthones in nature and the methods for the determination of their structure, biogenesis, and pharmacological properties is surveyed and described systematically. The bibliography includes 151 references.

  13. Synthesis and Physical Properties of Liquid Crystals: An Interdisciplinary Experiment

    ERIC Educational Resources Information Center

    Van Hecke, Gerald R.; Karukstis, Kerry K.; Hanhan Li; Hendargo, Hansford C.; Cosand, Andrew J.; Fox, Marja M.

    2005-01-01

    A study involves multiple chemistry and physics concepts applied to a state of matter that has biological relevance. An experiment involving the synthesis and physical properties of liquid crystals illustrates the interdisciplinary nature of liquid crystal research and the practical devices derived from such research.

  14. Synthesis and Physical Properties of Liquid Crystals: An Interdisciplinary Experiment

    ERIC Educational Resources Information Center

    Van Hecke, Gerald R.; Karukstis, Kerry K.; Hanhan Li; Hendargo, Hansford C.; Cosand, Andrew J.; Fox, Marja M.

    2005-01-01

    A study involves multiple chemistry and physics concepts applied to a state of matter that has biological relevance. An experiment involving the synthesis and physical properties of liquid crystals illustrates the interdisciplinary nature of liquid crystal research and the practical devices derived from such research.

  15. Macromolecular Crystallization in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Helliwell, John R.

    2004-01-01

    The key concepts that attracted crystal growers, macromolecular or solid state, to microgravity research is that density difference fluid flows and sedimentation of the growing crystals are greatly reduced. Thus, defects and flaws in the crystals can be reduced, even eliminated, and crystal volume can be increased. Macromolecular crystallography differs from the field of crystalline semiconductors. For the latter, crystals are harnessed for their electrical behaviors. A crystal of a biological macromolecule is used instead for diffraction experiments (X-ray or neutron) to determine the three-dimensional structure of the macromolecule. The better the internal order of the crystal of a biological macromolecule then the more molecular structure detail that can be extracted. This structural information that enables an understanding of how the molecule functions. This knowledge is changing the biological and chemical sciences with major potential in understanding disease pathologies. Macromolecular structural crystallography in general is a remarkable field where physics, biology, chemistry, and mathematics meet to enable insight to the basic fundamentals of life. In this review, we examine the use of microgravity as an environment to grow macromolecular crystals. We describe the crystallization procedures used on the ground, how the resulting crystals are studied and the knowledge obtained from those crystals. We address the features desired in an ordered crystal and the techniques used to evaluate those features in detail. We then introduce the microgravity environment, the techniques to access that environment, and the theory and evidence behind the use of microgravity for crystallization experiments. We describe how ground-based laboratory techniques have been adapted to microgravity flights and look at some of the methods used to analyze the resulting data. Several case studies illustrate the physical crystal quality improvements and the macromolecular structural

  16. Macromolecular Crystallization in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Helliwell, John R.

    2004-01-01

    The key concepts that attracted crystal growers, macromolecular or solid state, to microgravity research is that density difference fluid flows and sedimentation of the growing crystals are greatly reduced. Thus, defects and flaws in the crystals can be reduced, even eliminated, and crystal volume can be increased. Macromolecular crystallography differs from the field of crystalline semiconductors. For the latter, crystals are harnessed for their electrical behaviors. A crystal of a biological macromolecule is used instead for diffraction experiments (X-ray or neutron) to determine the three-dimensional structure of the macromolecule. The better the internal order of the crystal of a biological macromolecule then the more molecular structure detail that can be extracted. This structural information that enables an understanding of how the molecule functions. This knowledge is changing the biological and chemical sciences with major potential in understanding disease pathologies. Macromolecular structural crystallography in general is a remarkable field where physics, biology, chemistry, and mathematics meet to enable insight to the basic fundamentals of life. In this review, we examine the use of microgravity as an environment to grow macromolecular crystals. We describe the crystallization procedures used on the ground, how the resulting crystals are studied and the knowledge obtained from those crystals. We address the features desired in an ordered crystal and the techniques used to evaluate those features in detail. We then introduce the microgravity environment, the techniques to access that environment, and the theory and evidence behind the use of microgravity for crystallization experiments. We describe how ground-based laboratory techniques have been adapted to microgravity flights and look at some of the methods used to analyze the resulting data. Several case studies illustrate the physical crystal quality improvements and the macromolecular structural

  17. Crystallization and crystal properties of squid rhodopsin

    SciTech Connect

    Murakami, Midori; Kitahara, Rei; Gotoh, Toshiaki; Kouyama, Tsutomu

    2007-06-01

    Truncated rhodopsin from the retina of the squid Todarodes pacificus was extracted and crystallized by the sitting-drop vapour-diffusion method. Hexagonal crystals grown in the presence of octylglucoside and ammonium sulfate diffracted to 2.8 Å resolution. Rhodopsin, a photoreceptor membrane protein in the retina, is a prototypical member of the G-protein-coupled receptor family. In this study, rhodopsin from the retina of the squid Todarodes pacificus was treated with V8 protease to remove the C-terminal extension. Truncated rhodopsin was selectively extracted from the microvillar membranes using alkyl glucoside in the presence of zinc ions and was then crystallized by the sitting-drop vapour-diffusion method. Of the various crystals obtained, hexagonal crystals grown in the presence of octylglucoside and ammonium sulfate diffracted to 2.8 Å resolution. The diffraction data suggested that the crystal belongs to space group P6{sub 2}, with unit-cell parameters a = b = 122.1, c = 158.6 Å. Preliminary crystallographic analysis, together with linear dichroism results, suggested that the rhodopsin dimers are packed in such a manner that their transmembrane helices are aligned nearly parallel to the c axis.

  18. An extremely bent cyanide bridge in crystals of [(CN)3Pt(mu-CN)Cu(NH3)4]. Influence of electrostatic forces on the nature and geometry of bridging cyanides in the solid state.

    PubMed

    Escorihuela, I; Falvello, L R; Tomás, M

    2001-02-12

    The dinuclear heterometallic complex [(CN)3Pt(mu-CN)Cu(NH3)4] has been obtained in the solid state, and its structure has been determined by X-ray diffraction techniques at two temperatures (102 and 233 K). C4H12CuN8Pt crystallizes in the orthorhombic system, with a = 14.554(3) A, b = 7.1901(12) A, c = 10.369(2) A, and V = 1085.1(3) A3 at 102 K (a = 14.5091(10) A, b = 7.2739(4) A, c = 10.4570(7) A, and V = 1103.61(12) A3 at 233 K), in space group Pnma, with Z = 4. The Pt and Cu atoms are linked by a CN bridge that presents a very bent C identical to N-Cu angle (120.1(6) degrees at 102 K). The C identical to N and N-Cu distances at 102 K are 1.147(10) and 2.394(7) A, respectively. [(CN)3Pt(mu-CN)Cu(NH3)4] is embedded in an extensive electrostatic net formed by (N)H...N(C) interactions which, it is concluded, play an important role in the extreme deviation from linearity observed for the C identical to N-Cu angle.

  19. Spherical colloidal photonic crystals.

    PubMed

    Zhao, Yuanjin; Shang, Luoran; Cheng, Yao; Gu, Zhongze

    2014-12-16

    CONSPECTUS: Colloidal photonic crystals (PhCs), periodically arranged monodisperse nanoparticles, have emerged as one of the most promising materials for light manipulation because of their photonic band gaps (PBGs), which affect photons in a manner similar to the effect of semiconductor energy band gaps on electrons. The PBGs arise due to the periodic modulation of the refractive index between the building nanoparticles and the surrounding medium in space with subwavelength period. This leads to light with certain wavelengths or frequencies located in the PBG being prohibited from propagating. Because of this special property, the fabrication and application of colloidal PhCs have attracted increasing interest from researchers. The most simple and economical method for fabrication of colloidal PhCs is the bottom-up approach of nanoparticle self-assembly. Common colloidal PhCs from this approach in nature are gem opals, which are made from the ordered assembly and deposition of spherical silica nanoparticles after years of siliceous sedimentation and compression. Besides naturally occurring opals, a variety of manmade colloidal PhCs with thin film or bulk morphology have also been developed. In principle, because of the effect of Bragg diffraction, these PhC materials show different structural colors when observed from different angles, resulting in brilliant colors and important applications. However, this angle dependence is disadvantageous for the construction of some optical materials and devices in which wide viewing angles are desired. Recently, a series of colloidal PhC materials with spherical macroscopic morphology have been created. Because of their spherical symmetry, the PBGs of spherical colloidal PhCs are independent of rotation under illumination of the surface at a fixed incident angle of the light, broadening the perspective of their applications. Based on droplet templates containing colloidal nanoparticles, these spherical colloidal PhCs can be

  20. Inexpensive Electrooptic Experiments on Liquid Crystal Displays.

    ERIC Educational Resources Information Center

    Ciferno, Thomas M.; And Others

    1995-01-01

    Describes the construction and use of an electrooptic apparatus that can be incorporated into the classroom to test liquid crystal displays (LCDs) and introduce students to experiments of an applied physics nature with very practical implications. Presents experiments that give students hands-on experience with technologies of current interest to…

  1. Protein crystal growth

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Atomic force microscopy uses laser technology to reveal a defect, a double-screw dislocation, on the surface of this crystal of canavalin, a major source of dietary protein for humans and domestic animals. When a crystal grows, attachment kinetics and transport kinetics are competing for control of the molecules. As a molecule gets close to the crystal surface, it has to attach properly for the crystal to be usable. NASA has funded investigators to look at those attachment kinetics from a theoretical standpoint and an experimental standpoint. Dr. Alex McPherson of the University of California, Irvine, is one of those investigators. He uses X-ray diffraction and atomic force microscopy in his laboratory to answer some of the many questions about how protein crystals grow. Atomic force microscopy provides a means of looking at how individual molecules are added to the surface of growing protein crystals. This helps McPherson understand the kinetics of protein crystal growth. McPherson asks, How fast do crystals grow? What are the forces involved? Investigators funded by NASA have clearly shown that such factors as the level of supersaturation and the rate of growth all affect the habit [characteristic arrangement of facets] of the crystal and the defects that occur in the crystal.

  2. Protein crystal growth

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Atomic force microscopy uses laser technology to reveal a defect, a double-screw dislocation, on the surface of this crystal of canavalin, a major source of dietary protein for humans and domestic animals. When a crystal grows, attachment kinetics and transport kinetics are competing for control of the molecules. As a molecule gets close to the crystal surface, it has to attach properly for the crystal to be usable. NASA has funded investigators to look at those attachment kinetics from a theoretical standpoint and an experimental standpoint. Dr. Alex McPherson of the University of California, Irvine, is one of those investigators. He uses X-ray diffraction and atomic force microscopy in his laboratory to answer some of the many questions about how protein crystals grow. Atomic force microscopy provides a means of looking at how individual molecules are added to the surface of growing protein crystals. This helps McPherson understand the kinetics of protein crystal growth. McPherson asks, How fast do crystals grow? What are the forces involved? Investigators funded by NASA have clearly shown that such factors as the level of supersaturation and the rate of growth all affect the habit [characteristic arrangement of facets] of the crystal and the defects that occur in the crystal.

  3. SSZ-13 Crystallization by Particle Attachment and Deterministic Pathways to Crystal Size Control.

    PubMed

    Kumar, Manjesh; Luo, Helen; Román-Leshkov, Yuriy; Rimer, Jeffrey D

    2015-10-14

    Many synthetic and natural crystalline materials are either known or postulated to grow via nonclassical pathways involving the initial self-assembly of precursors that serve as putative growth units for crystallization. Elucidating the pathway(s) by which precursors attach to crystal surfaces and structurally rearrange (postattachment) to incorporate into the underlying crystalline lattice is an active and expanding area of research comprising many unanswered fundamental questions. Here, we examine the crystallization of SSZ-13, which is an aluminosilicate zeolite that possesses exceptional physicochemical properties for applications in separations and catalysis (e.g., methanol upgrading to chemicals and the environmental remediation of NO(x)). We show that SSZ-13 grows by two concerted mechanisms: nonclassical growth involving the attachment of amorphous aluminosilicate particles to crystal surfaces and classical layer-by-layer growth via the incorporation of molecules to advancing steps on the crystal surface. A facile, commercially viable method of tailoring SSZ-13 crystal size and morphology is introduced wherein growth modifiers are used to mediate precursor aggregation and attachment to crystal surfaces. We demonstrate that small quantities of polymers can be used to tune crystal size over 3 orders of magnitude (0.1-20 μm), alter crystal shape, and introduce mesoporosity. Given the ubiquitous presence of amorphous precursors in a wide variety of microporous crystals, insight of the SSZ-13 growth mechanism may prove to be broadly applicable to other materials. Moreover, the ability to selectively tailor the physical properties of SSZ-13 crystals through molecular design offers new routes to optimize their performance in a wide range of commercial applications.

  4. Large three-dimensional photonic crystals based on monocrystalline liquid crystal blue phases.

    PubMed

    Chen, Chun-Wei; Hou, Chien-Tsung; Li, Cheng-Chang; Jau, Hung-Chang; Wang, Chun-Ta; Hong, Ching-Lang; Guo, Duan-Yi; Wang, Cheng-Yu; Chiang, Sheng-Ping; Bunning, Timothy J; Khoo, Iam-Choon; Lin, Tsung-Hsien

    2017-09-28

    Although there have been intense efforts to fabricate large three-dimensional photonic crystals in order to realize their full potential, the technologies developed so far are still beset with various material processing and cost issues. Conventional top-down fabrications are costly and time-consuming, whereas natural self-assembly and bottom-up fabrications often result in high defect density and limited dimensions. Here we report the fabrication of extraordinarily large monocrystalline photonic crystals by controlling the self-assembly processes which occur in unique phases of liquid crystals that exhibit three-dimensional photonic-crystalline properties called liquid-crystal blue phases. In particular, we have developed a gradient-temperature technique that enables three-dimensional photonic crystals to grow to lateral dimensions of ~1 cm (~30,000 of unit cells) and thickness of ~100 μm (~ 300 unit cells). These giant single crystals exhibit extraordinarily sharp photonic bandgaps with high reflectivity, long-range periodicity in all dimensions and well-defined lattice orientation.Conventional fabrication approaches for large-size three-dimensional photonic crystals are problematic. By properly controlling the self-assembly processes, the authors report the fabrication of monocrystalline blue phase liquid crystals that exhibit three-dimensional photonic-crystalline properties.

  5. Structures beyond crystals

    NASA Astrophysics Data System (ADS)

    Hargittai, István

    2010-07-01

    Dan Shechtman made a seminal observation of the appearance on "non-crystallographic" symmetry in an alloy at the US National Bureau of Standards on April 8, 1982. This day has become known as the date of the discovery of quasicrystals. It was not easy to gain recognition for this discovery and the first printed report about it appeared two and a half years after the observation, which then was followed by an avalanche of publications. This was as if theoreticians and other experimentalists had only been waiting for a pioneer to come out with this revolutionary experiment. The discovery of quasicrystals just as the discovery of the structure of biological macromolecules was part of the development in which the framework of classical crystallography was crumbling and generalized crystallography—the science of structures—has emerged that had long been advanced by J. Desmond Bernal and his pupils. The discovery of quasicrystals offers some lessons about the nature of scientific discovery. This contribution presents selected aspects of the recognition of the importance of structures beyond crystals and is by far not a complete history of the areas involved.

  6. Growth and characterization of diammonium copper disulphate hexahydrate single crystal

    SciTech Connect

    Siva Sankari, R.; Perumal, Rajesh Narayana

    2014-03-01

    Graphical abstract: Diammonium copper disulphate hexahydrate (DACS) is one of the most promising inorganic dielectric crystals with exceptional mechanical properties. Good quality crystals of DACS were grown by using solution method in a period of 30 days. The grown crystals were subjected to single crystal X-ray diffraction analysis in order to establish their crystalline nature. Thermo gravimetric, differential thermal analysis, FTIR, and UV–vis–NIR analysis were performed for the crystal. Several solid state physical parameters have been determined for the grown crystals. The dielectric constant and the dielectric loss and AC conductivity of the grown crystal were studied as a function of frequency and temperature has been calculated and plotted. - Highlights: • Diammonium copper disulphate is grown for the first time and CCDC number obtained. • Thermal analysis is done to see the stability range of the crystals. • Band gap and UV cut off wavelength of the crystal are determined to be 2.4 eV and 472.86 nm, respectively. • Dielectric constant, dielectric loss and AC conductivity are plotted as a function of applied field. - Abstract: Diammonium copper disulphate hexahydrate is one of the most promising inorganic crystals with exceptional dielectric properties. A good quality crystal was harvested in a 30-day period using solution growth method. The grown crystal was subjected to various characterization techniques like single crystal X-ray diffraction analysis, thermo gravimetric, differential thermal analysis, FTIR, and UV–vis–NIR analysis. Unit cell dimensions of the grown crystal have been identified from XRD studies. Functional groups of the title compounds have been identified from FTIR studies. Thermal stability of the samples was checked by TG/DTA studies. Band gap of the crystal was calculated. The dielectric constant and dielectric loss were studied as a function of frequency of the applied field. AC conductivity was plotted as a function

  7. Large-scale crystallization of proteins for purification and formulation.

    PubMed

    Hekmat, Dariusch

    2015-07-01

    Since about 170 years, salts were used to create supersaturated solutions and crystallize proteins. The dehydrating effect of salts as well as their kosmotropic or chaotropic character was revealed. Even the suitability of organic solvents for crystallization was already recognized. Interestingly, what was performed during the early times is still practiced today. A lot of effort was put into understanding the underlying physico-chemical interaction mechanisms leading to protein crystallization. However, it was understood that already the solvation of proteins is a highly complex process not to mention the intricate interrelation of electrostatic and hydrophobic interactions taking place. Although many basic questions are still unanswered, preparative protein crystallization was attempted as illustrated in the presented case studies. Due to the highly variable nature of crystallization, individual design of the crystallization process is needed in every single case. It was shown that preparative crystallization from impure protein solutions as a capture step is possible after applying adequate pre-treatment procedures like precipitation or extraction. Protein crystallization can replace one or more chromatography steps. It was further shown that crystallization can serve as an attractive alternative means for formulation of therapeutic proteins. Crystalline proteins can offer enhanced purity and enable highly concentrated doses of the active ingredient. Easy scalability of the proposed protein crystallization processes was shown using the maximum local energy dissipation as a suitable scale-up criterion. Molecular modeling and target-oriented protein engineering may allow protein crystallization to become part of a platform purification process in the near future.

  8. The Crystals Cave in a test tube

    NASA Astrophysics Data System (ADS)

    Puig, C.; Romero, M. L.

    2012-04-01

    It's quite easy to understand formation of crystals in Nature by evaporation of the solutions that contain minerals, but many times we have realised that our pupils hardly understand that precipitation is a process mostly caused by changing parameters in a solution, like pH, temperature, etc. and not necessarily depending on evaporation. We propose a hands-on activity using the context of the Cave of the Crystals in Naica's mine, Mexico. The Crystals Cave is a wonderful place where giant crystals of selenite (gypsum) have grown feeding from a supersaturated anhydrite solution1. Miners discovered the cave filled with hot water, and drained it to explore the gallery. The cave is now a giant laboratory where scientists are looking for the keys to understand geological processes. Teaching sequence (for students 15 years old) is as follows: DISCOVERING A MARVELLOUS PLACE: We showed our pupils several images and a short video of the Cave of the Crystals and ask them about the process that may have caused the phenomenon. Whole-class discussion. PRESENTING A CHALLENGE TO OUR STUDENTS: "COULD WE CREATE A CRYSTALS CAVE IN A TEST TUBE?" EXPERIMENTING TO IMITATE NATURE: Students tried to grow crystals simulating the same conditions as those in Naica's mine. We have chosen KNO3, a salt more soluble than gypsum. We added 85 g of salt to 200 ml of water (solubility of KNO3 at 25°C is 36 g per 100 gr of water) and heated it until it is dissolved. Afterwards, we poured the solution into some test tubes and other recipients and let them cool at room temperature. And they got a beautiful crystals cave!! THINKING A LITTLE MORE: we asked pupils some questions to make them think about the process and to predict what would happen in different situations. For example: a) What would happen with crystals if we heated the tubes again? or b) What would happen if we took the remaining solution from the tubes and keep it in the fridge? PROVING A NEW HYPOTHESIS: Pupils collected the remaining

  9. Automated macromolecular crystallization screening

    DOEpatents

    Segelke, Brent W.; Rupp, Bernhard; Krupka, Heike I.

    2005-03-01

    An automated macromolecular crystallization screening system wherein a multiplicity of reagent mixes are produced. A multiplicity of analysis plates is produced utilizing the reagent mixes combined with a sample. The analysis plates are incubated to promote growth of crystals. Images of the crystals are made. The images are analyzed with regard to suitability of the crystals for analysis by x-ray crystallography. A design of reagent mixes is produced based upon the expected suitability of the crystals for analysis by x-ray crystallography. A second multiplicity of mixes of the reagent components is produced utilizing the design and a second multiplicity of reagent mixes is used for a second round of automated macromolecular crystallization screening. In one embodiment the multiplicity of reagent mixes are produced by a random selection of reagent components.

  10. Protein crystallization in microgravity.

    PubMed

    Aibara, S; Shibata, K; Morita, Y

    1997-12-01

    A space experiment involving protein crystallization was conducted in a microgravity environment using the space shuttle "Endeavour" of STS-47, on a 9-day mission from September 12th to 20th in 1992. The crystallization was carried out according to a batch method, and 5 proteins were selected as flight samples for crystallization. Two of these proteins: hen egg-white lysozyme and co-amino acid: pyruvate aminotransferase from Pseudomonas sp. F-126, were obtained as single crystals of good diffraction quality. Since 1992 we have carried out several space experiments for protein crystallization aboard space shuttles and the space station MIR. Our experimental results obtained mainly from hen egg-white lysozyme are described below, focusing on the effects of microgravity on protein crystal growth.

  11. Single Crystal Membranes

    NASA Technical Reports Server (NTRS)

    Stormont, R. W.; Morrison, A.

    1974-01-01

    Single crystal a- and c-axis tubes and ribbons of sodium beta-alumina and sodium magnesium beta-alumina were grown from sodium oxide rich melts. Additional experiments grew ribbon crystals containing sodium magnesium beta, beta double prime, beta triple prime, and beta quadruple prime. A high pressure crystal growth chamber, sodium oxide rich melts, and iridium for all surfaces in contact with the melt were combined with the edge-defined, film-fed growth technique to grow the single crystal beta-alumina tubes and ribbons. The crystals were characterized using metallographic and X-ray diffraction techniques, and wet chemical analysis was used to determine the sodium, magnesium, and aluminum content of the grown crystals.

  12. Antarctic stratospheric ice crystals

    NASA Technical Reports Server (NTRS)

    Goodman, J.; Toon, O. B.; Pueschel, R. F.; Snetsinger, K. G.; Verma, S.

    1989-01-01

    Ice crystals were replicated over the Palmer Peninsula at approximately 72 deg S on six occasions during the 1987 Airboirne Antarctic Ozone Experiment. The sampling altitude was between 12.5 and 18.5 km (45-65 thousand ft pressure altitude) with the temperature between 190 and 201 K. The atmosphere was subsaturated with respect to ice in all cases. The collected crystals were predominantly solid and hollow columns. The largest crystals were sampled at lower altitudes where the potential temperature was below 400 K. While the crystals were larger than anticipated, their low concentration results in a total surface area that is less than one tenth of the total aerosol surface area. The large ice crystals may play an important role in the observed stratospheric dehydration processes through sedimentation. Evidence of scavenging of submicron particles further suggests that the ice crystals may be effective in the removal of stratospheric chemicals.

  13. Crystallization of Macromolecules

    PubMed Central

    Friedmann, David; Messick, Troy; Marmorstein, Ronen

    2014-01-01

    X-ray crystallography has evolved into a very powerful tool to determine the three-dimensional structure of macromolecules and macromolecular complexes. The major bottleneck in structure determination by X-ray crystallography is the preparation of suitable crystalline samples. This unit outlines steps for the crystallization of a macromolecule, starting with a purified, homogeneous sample. The first protocols describe preparation of the macromolecular sample (i.e., proteins, nucleic acids, and macromolecular complexes). The preparation and assessment of crystallization trials is then described, along with a protocol for confirming whether the crystals obtained are composed of macromolecule as opposed to a crystallization reagent. Next, the optimization of crystallization conditions is presented. Finally, protocols that facilitate the growth of larger crystals through seeding are described. PMID:18429252

  14. Crystallization of Macromolecules

    PubMed Central

    Friedmann, David; Messick, Troy; Marmorstein, Ronen

    2014-01-01

    X-ray crystallography has evolved into a very powerful tool to determine the three-dimensional structure of macromolecules and macromolecular complexes. The major bottleneck in structure determination by X-ray crystallography is the preparation of suitable crystalline samples. This unit outlines steps for the crystallization of a macromolecule, starting with a purified, homogeneous sample. The first protocols describe preparation of the macromolecular sample (i.e., proteins, nucleic acids, and macromolecular complexes). The preparation and assessment of crystallization trials is then described, along with a protocol for confirming whether the crystals obtained are composed of macromolecule as opposed to a crystallization reagent . Next, the optimization of crystallization conditions is presented. Finally, protocols that facilitate the growth of larger crystals through seeding are described. PMID:22045560

  15. Crystallization Stages of the Bishop Tuff Magma Body Recorded in Crystal Textures in Pumice Clasts

    SciTech Connect

    Pamukcu, Ayla; Gualda, Guilherme A.R.; Anderson, Jr. , Alfred T.

    2012-07-25

    The Bishop Tuff is a giant silicic ignimbrite erupted at 0.76 Ma in eastern California, USA. Five pumice clasts from the late-erupted Bishop Tuff (Aeolian Buttes) were studied in an effort to better understand the pre- and syn-eruptive history of the Bishop magma body and place constraints on the timescales of its existence. This study complements and expands on a previous study that focused on early-erupted Bishop Tuff pumice clasts. Bulk densities of pumice clasts were measured using an immersion method, and phenocryst crystal contents were determined using a sieving and winnowing procedure. X-ray tomography was used to obtain qualitative and quantitative textural information, particularly crystal size distributions (CSDs). We have determined CSDs for crystals ranging in size from {approx}10 to {approx}1000 {micro}m for three groups of mineral phases: magnetite ({+-}ilmenite), pyroxene + biotite, quartz + feldspar. Similar to early-erupted pumice, late-erupted pumice bulk density and crystal contents are positively correlated, and comparison of crystal fraction vs size trends suggests that the proportion of large crystals is the primary control on crystallinity. Porosity is negatively correlated with crystal content, which is difficult to reconcile with closed-system crystallization. Magnetite and pyroxene + biotite size distributions are fractal in nature, often attributed to fragmentation; however, crystals are mostly whole and euhedral, such that an alternative mechanism is necessary to explain these distributions. Quartz + feldspar size distributions are kinked, with a shallow-sloped log-linear section describing large crystals (> 140 {micro}m) and a steep-sloped log-linear section describing small crystals (< 140 {micro}m). We interpret these two crystal populations as resulting from a shift in crystallization regime. We suggest that the shallow-sloped section describes a pre-eruptive quartz + feldspar growth-dominated regime, whereas the steep

  16. Allium To Zircon: Mathematics and Nature.

    ERIC Educational Resources Information Center

    Harrell, Marvin E.; Fosnaugh, Linda S.

    1997-01-01

    Discusses how nature can illustrate mathematical structures and concepts in the classroom. For example, the upper surface of a typical leaf structure illustrates the notion of tessellating with polygons. Also lists classroom applications and hands-on activities such as growing crystals to investigate the natural forms of polyhedra and measuring…

  17. Allium To Zircon: Mathematics and Nature.

    ERIC Educational Resources Information Center

    Harrell, Marvin E.; Fosnaugh, Linda S.

    1997-01-01

    Discusses how nature can illustrate mathematical structures and concepts in the classroom. For example, the upper surface of a typical leaf structure illustrates the notion of tessellating with polygons. Also lists classroom applications and hands-on activities such as growing crystals to investigate the natural forms of polyhedra and measuring…

  18. Liquid Crystal Optofluidics

    SciTech Connect

    Vasdekis, Andreas E.; Cuennet, J. G.; Psaltis, D.

    2012-10-11

    By employing anisotropic fluids and namely liquid crystals, fluid flow becomes an additional degree of freedom in designing optofluidic devices. In this paper, we demonstrate optofluidic liquid crystal devices based on the direct flow of nematic liquid crystals in microfluidic channels. Contrary to previous reports, in the present embodiment we employ the effective phase delay acquired by light travelling through flowing liquid crystal, without analysing the polarisation state of the transmitted light. With this method, we demonstrate the variation in the diffraction pattern of an array of microfluidic channels acting as a grating. We also discuss our recent activities in integrating mechanical oscillators for on-chip peristaltic pumping.

  19. Liquid crystal optofluidics

    NASA Astrophysics Data System (ADS)

    Vasdekis, A. E.; Cuennet, J. G.; Psaltis, D.

    2012-10-01

    By employing anisotropic fluids and namely liquid crystals, fluid flow becomes an additional degree of freedom in designing optofluidic devices. In this paper, we demonstrate optofluidic liquid crystal devices based on the direct flow of nematic liquid crystals in microfluidic channels. Contrary to previous reports, in the present embodiment we employ the effective phase delay acquired by light travelling through flowing liquid crystal, without analysing the polarisation state of the transmitted light. With this method, we demonstrate the variation in the diffraction pattern of an array of microfluidic channels acting as a grating. We also discuss our recent activities in integrating mechanical oscillators for on-chip peristaltic pumping.

  20. Heroin crystal nephropathy.

    PubMed

    Bautista, Josef Edrik Keith; Merhi, Basma; Gregory, Oliver; Hu, Susie; Henriksen, Kammi; Gohh, Reginald

    2015-06-01

    In this paper we present an interesting case of acute kidney injury and severe metabolic alkalosis in a patient with a history of heavy heroin abuse. Urine microscopy showed numerous broomstick-like crystals. These crystals are also identified in light and electron microscopy. We hypothesize that heroin crystalizes in an alkaline pH, resulting in tubular obstruction and acute kidney injury. Management is mainly supportive as there is no known specific therapy for this condition. This paper highlights the utility of urine microscopy in diagnosing the etiology of acute kidney injury and proposes a novel disease called heroin crystal nephropathy.

  1. Tunable plasmonic crystal

    DOEpatents

    Dyer, Gregory Conrad; Shaner, Eric A.; Reno, John L.; Aizin, Gregory

    2015-08-11

    A tunable plasmonic crystal comprises several periods in a two-dimensional electron or hole gas plasmonic medium that is both extremely subwavelength (.about..lamda./100) and tunable through the application of voltages to metal electrodes. Tuning of the plasmonic crystal band edges can be realized in materials such as semiconductors and graphene to actively control the plasmonic crystal dispersion in the terahertz and infrared spectral regions. The tunable plasmonic crystal provides a useful degree of freedom for applications in slow light devices, voltage-tunable waveguides, filters, ultra-sensitive direct and heterodyne THz detectors, and THz oscillators.

  2. Automation in biological crystallization.

    PubMed

    Stewart, Patrick Shaw; Mueller-Dieckmann, Jochen

    2014-06-01

    Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given.

  3. Automation in biological crystallization

    PubMed Central

    Shaw Stewart, Patrick; Mueller-Dieckmann, Jochen

    2014-01-01

    Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given. PMID:24915074

  4. Heroin crystal nephropathy

    PubMed Central

    Bautista, Josef Edrik Keith; Merhi, Basma; Gregory, Oliver; Hu, Susie; Henriksen, Kammi; Gohh, Reginald

    2015-01-01

    In this paper we present an interesting case of acute kidney injury and severe metabolic alkalosis in a patient with a history of heavy heroin abuse. Urine microscopy showed numerous broomstick-like crystals. These crystals are also identified in light and electron microscopy. We hypothesize that heroin crystalizes in an alkaline pH, resulting in tubular obstruction and acute kidney injury. Management is mainly supportive as there is no known specific therapy for this condition. This paper highlights the utility of urine microscopy in diagnosing the etiology of acute kidney injury and proposes a novel disease called heroin crystal nephropathy. PMID:26034599

  5. Phononic crystal devices

    DOEpatents

    El-Kady, Ihab F [Albuquerque, NM; Olsson, Roy H [Albuquerque, NM

    2012-01-10

    Phononic crystals that have the ability to modify and control the thermal black body phonon distribution and the phonon component of heat transport in a solid. In particular, the thermal conductivity and heat capacity can be modified by altering the phonon density of states in a phononic crystal. The present invention is directed to phononic crystal devices and materials such as radio frequency (RF) tags powered from ambient heat, dielectrics with extremely low thermal conductivity, thermoelectric materials with a higher ratio of electrical-to-thermal conductivity, materials with phononically engineered heat capacity, phononic crystal waveguides that enable accelerated cooling, and a variety of low temperature application devices.

  6. Crystals in magma chambers

    NASA Astrophysics Data System (ADS)

    Higgins, M.

    2011-12-01

    Differentiation processes in igneous systems are one way in which the diversity of igneous rocks is produced. Traditionally, magmatic diversity is considered as variations in the overall chemical composition, such as basalt and rhyolite, but I want to extend this definition to include textural diversity. Such textural variations can be manifested as differences in the amount of crystalline (and immiscible liquid) phases and in the origin and identity of such phases. One important differentiation process is crystal-liquid separation by floatation or decantation, which clearly necessitates crystals in the magma. Hence, it is important to determine if magmas in chambers (sensu lato) have crystals. The following discussion is framed in generalities - many exceptions occur. Diabase (dolerite) dykes are a common, widespread result of regional mafic magmatism. The rims of most diabase dykes have few or no phenocrysts and crystals in the cores are commonly thought to have crystallized in place. Hence, this major mafic magmatic source did not have crystals, although compositional diversity of these dykes is commonly explained by crystal-liquid separation. This can be resolved if crystallisation was on the walls on the magma chamber. Similarly, most flood basalts are low in crystals and separation of those that are present cannot always explain the observed compositional diversity. Crystal-rich flows do occur, for example the 'Giant Plagioclase Basalts' of the Deccan series, but the crystals are thought to form or accumulate in a crystal-rich zone beneath the roof of the chamber - the rest of the chamber probably has few crystals. Some magmas from Hawaii contain significant amounts of olivine crystals, but most of these are deformed and cannot have crystallised in the chamber. In this case the crystals are thought to grow as the magma passes through a decollement zone. They may have grown on the walls or been trapped by filters. Basaltic andesite ignimbrites generally have

  7. Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis

    PubMed Central

    Zhang, Jian; Chen, Shumei; Wu, Tao; Feng, Pingyun; Bu, Xianhui

    2009-01-01

    While it is not uncommon to form chiral crystals during crystallization, the formation of bulk porous homochiral materials from achiral building units is rare. Reported here is the homochiral crystallization of microporous materials through the chirality induction effect of natural alkaloids. The resulting material possesses permanent microporosity and has a uniform pore size of 9.3Å. PMID:18774816

  8. Photonic crystal waveguide created by selective infiltration

    NASA Astrophysics Data System (ADS)

    Casas Bedoya, A.; Domachuk, P.; Grillet, C.; Monat, C.; Mägi, E. C.; Li, E.; Eggleton, B. J.

    2012-06-01

    The marriage of photonics and microfluidics ("optofluidics") uses the inherent mobility of fluids to reversibly tune photonic structures beyond traditional fabrication methods by infiltrating voids in said structures. Photonic crystals (PhCs) strongly control light on the wavelength scale and are well suited to optofluidic tuning because their periodic airhole microstructure is a natural candidate for housing liquids. The infiltration of a single row of holes in the PhC matrix modifies the effective refractive index allowing optical modes to be guided by the PhC bandgap. In this work we present the first experimental demonstration of a reconfigurable single mode W1 photonic crystal defect waveguide created by selective liquid infiltration. We modified a hexagonal silicon planar photonic crystal membrane by selectively filling a single row of air holes with ~300nm resolution, using high refractive index ionic liquid. The modification creates optical confinement in the infiltrated region and allows propagation of a single optical waveguide mode. We describe the challenges arising from the infiltration process and the liquid/solid surface interaction in the photonic crystal. We include a detailed comparison between analytic and numerical modeling and experimental results, and introduce a new approach to create an offset photonic crystal cavity by varying the nature of the selective infiltration process.

  9. Crystal Chemistry of Th in Fluorapatite

    SciTech Connect

    Y Luo; J Rakovan; Y Tang; M Lupulescu; J Hughes; Y Pan

    2011-12-31

    Through the complementary use of single-crystal X-ray diffraction and X-ray absorption spectroscopy, we present in this paper the first direct results on the site occupancy of thorium in the fluorapatite structure and the structural distortion created by its substitution. Structure refinements based on single-crystal X-ray diffraction data from synthetic Th-doped fluorapatite indicates that Th substitutes almost exclusively in the M2 site. A single-crystal X-ray study of natural fluorapatite from Mineville, New York, also indicated that substituting heavy scatterers (including Th) are concentrated in the apatite M2 site, but definitive site assignments of specific elements were not possible. Extended X-ray absorption fine-structure spectroscopy (EXAFS) was used to probe the local structure of Th in the synthetic fluorapatite (single-crystal form) with a Th concentration of roughly 20000 ppm, as well as Th in the natural Mineville fluorapatite (powder form) with a Th concentration of {approx}2000 ppm. The EXAFS fitting results also indicate that Th partitions into the M2 site and yield a {approx}0.05-0.08 {angstrom} decrease of average M2-O bond distances associated with local structure distortions that are not obtainable from single-crystal X-ray diffraction studies.

  10. Dynamic crystallization of silicate melts

    NASA Technical Reports Server (NTRS)

    Russell, W. J.

    1984-01-01

    Two types of furnaces with differing temperature range capabilities were used to provide variations in melt temperatures and cooling rates in a study of the effects of heterogeneous nucleation on crystallization. Materials of chondrule composition were used to further understanding of how the disequilibrium features displayed by minerals in rocks are formed. Results show that the textures of natural chondrules were duplicated. It is concluded that the melt history is dominant over cooling rate and composition in controlling texture. The importance of nuclei, which are most readily derived from preexisting crystalline material, support an origin for natural chondrules based on remelting of crystalline material. This would be compatible with a simple, uniform chondrule forming process having only slight variations in thermal histories resulting in the wide range of textures.

  11. Advanced Protein Crystallization Facility (APCF)

    NASA Technical Reports Server (NTRS)

    1998-01-01

    This section of the Life and Microgravity Spacelab (LMS) publication contains articles entitled: (1) Crystallization of EGFR-EGF; (2) Crystallization of Apocrustacyanin C1; (3) Crystallization and X-ray Analysis of 5S rRNA and the 5S rRNA Domain A; (4) Growth of Lysozyme Crystals at Low Nucleation Density; (5) Comparative Analysis of Aspartyl tRNA-synthetase and Thaumatin Crystals Grown on Earth and In Microgravity; (6) Lysosome Crystal Growth in the Advanced Protein Crystallization Facility Monitored via Mach-Zehnder Interferometry and CCD Video; (7) Analysis of Thaumatin Crystals Grown on Earth and in Microgravity; (8) Crystallization of the Nucleosome Core Particle; (9) Crystallization of Photosystem I; (10) Mechanism of Membrane Protein Crystal Growth: Bacteriorhodopsin-mixed Micelle Packing at the Consolution Boundary, Stabilized in Microgravity; (11) Crystallization in a Microgravity Environment of CcdB, a Protein Involved in the Control of Cell Death; and (12) Crystallization of Sulfolobus Solfataricus

  12. Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.

    PubMed

    Knaus, Tanja; Paul, Caroline E; Levy, Colin W; de Vries, Simon; Mutti, Francesco G; Hollmann, Frank; Scrutton, Nigel S

    2016-01-27

    The search for affordable, green biocatalytic processes is a challenge for chemicals manufacture. Redox biotransformations are potentially attractive, but they rely on unstable and expensive nicotinamide coenzymes that have prevented their widespread exploitation. Stoichiometric use of natural coenzymes is not viable economically, and the instability of these molecules hinders catalytic processes that employ coenzyme recycling. Here, we investigate the efficiency of man-made synthetic biomimetics of the natural coenzymes NAD(P)H in redox biocatalysis. Extensive studies with a range of oxidoreductases belonging to the "ene" reductase family show that these biomimetics are excellent analogues of the natural coenzymes, revealed also in crystal structures of the ene reductase XenA with selected biomimetics. In selected cases, these biomimetics outperform the natural coenzymes. "Better-than-Nature" biomimetics should find widespread application in fine and specialty chemicals production by harnessing the power of high stereo-, regio-, and chemoselective redox biocatalysts and enabling reactions under mild conditions at low cost.

  13. Pattern information extraction from crystal structures

    NASA Astrophysics Data System (ADS)

    Okuyan, Erhan; Güdükbay, Uğur; Gülseren, Oğuz

    2007-04-01

    Determining the crystal structure parameters of a material is an important issue in crystallography and material science. Knowing the crystal structure parameters helps in understanding the physical behavior of material. It can be difficult to obtain crystal parameters for complex structures, particularly those materials that show local symmetry as well as global symmetry. This work provides a tool that extracts crystal parameters such as primitive vectors, basis vectors and space groups from the atomic coordinates of crystal structures. A visualization tool for examining crystals is also provided. Accordingly, this work could help crystallographers, chemists and material scientists to analyze crystal structures efficiently. Program summaryTitle of program: BilKristal Catalogue identifier: ADYU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADYU_v1_0 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: None Programming language used: C, C++, Microsoft .NET Framework 1.1 and OpenGL Libraries Computer: Personal Computers with Windows operating system Operating system: Windows XP Professional RAM: 20-60 MB No. of lines in distributed program, including test data, etc.:899 779 No. of bytes in distributed program, including test date, etc.:9 271 521 Distribution format:tar.gz External routines/libraries: Microsoft .NET Framework 1.1. For visualization tool, graphics card driver should also support OpenGL Nature of problem: Determining crystal structure parameters of a material is a quite important issue in crystallography. Knowing the crystal structure parameters helps to understand physical behavior of material. For complex structures, particularly, for materials which also contain local symmetry as well as global symmetry, obtaining crystal parameters can be quite hard. Solution method: The tool extracts crystal parameters such as primitive vectors, basis vectors and identify the space group from

  14. Molecular Models of Liquid Crystal Elastomers

    NASA Astrophysics Data System (ADS)

    Rajshekhar

    Liquid crystal elastomers combine the elastic properties of conventional rubbers with the optical properties of liquid crystals. This dual nature gives rise to unusual physical properties, including the stress induced transition from a polydomain state, consisting of multiple nematic regions with independent orientations, to a monodomain state consisting of a single nematic region with a uniform director. We propose several molecular-scale coarse-grained models of liquid crystal elastomers with varying degrees of resolution. The models employ the Gay-Berne soft potential, and exhibit the chain connectivity of a diamond network. Simulation results show that these models are able to capture the polydomain state exhibited by liquid crystal elastomers in the absence of any external stress. When subjected to uniaxial stress, our models exhibit a polydomain to monodomain transition. We explain that the polydomain state occurs through the aggregation of liquid crystal molecules assisted by crosslinking sites, and conclude that the transition mechanism to the monodomain state is based on the reorientation of nematic domains along the direction of applied stress. Our modeling efforts are primarily focused on three models. The first two models consider the effects of rigid and flexible crosslinkers in liquid crystal elastomers with a diamond topology for chain connectivity. The third model deviates from the diamond network topology and adopts a random network topology.

  15. Trace fluorescent labeling for protein crystallization

    PubMed Central

    Pusey, Marc; Barcena, Jorge; Morris, Michelle; Singhal, Anuj; Yuan, Qunying; Ng, Joseph

    2015-01-01

    Fluorescence can be a powerful tool to aid in the crystallization of proteins. In the trace-labeling approach, the protein is covalently derivatized with a high-quantum-yield visible-wavelength fluorescent probe. The final probe concentration typically labels ≤0.20% of the protein molecules, which has been shown to not affect the crystal nucleation or diffraction quality. The labeled protein is then used in a plate-screening experiment in the usual manner. As the most densely packed state of the protein is the crystalline form, then crystals show as the brightest objects in the well under fluorescent illumination. A study has been carried out on the effects of trace fluorescent labeling on the screening results obtained compared with nonlabeled protein, and it was found that considering the stochastic nature of the crystal nucleation process the presence of the probe did not affect the outcomes obtained. Other effects are realised when using fluorescence. Crystals are clearly seen even when buried in precipitate. This approach also finds ‘hidden’ leads, in the form of bright spots, with ∼30% of the leads found being optimized to crystals in a single-pass optimization trial. The use of visible fluorescence also enables the selection of colors that bypass interfering substances, and the screening materials do not have to be UV-transparent. PMID:26144224

  16. Giant crystals inside mitochondria of equine chondrocytes.

    PubMed

    Nürnberger, S; Rentenberger, C; Thiel, K; Schädl, B; Grunwald, I; Ponomarev, I; Marlovits, St; Meyer, Ch; Barnewitz, D

    2017-05-01

    The present study reports for the first time the presence of giant crystals in mitochondria of equine chondrocytes. These structures show dark contrast in TEM images as well as a granular substructure of regularly aligned 1-2 nm small units. Different zone axes of the crystalline structure were analysed by means of Fourier transformation of lattice-resolution TEM images proving the crystalline nature of the structure. Elemental analysis reveals a high content of nitrogen referring to protein. The outer shape of the crystals is geometrical with an up to hexagonal profile in cross sections. It is elongated, spanning a length of several micrometres through the whole cell. In some chondrocytes, several crystals were found, sometimes combined in a single mitochondrion. Crystals were preferentially aligned along the long axis of the cells, thus appearing in the same orientation as the chondrocytes in the tissue. Although no similar structures have been found in the cartilage of any other species investigated, they have been found in cartilage repair tissue formed within a mechanically stimulated equine chondrocyte construct. Crystals were mainly located in superficial regions of cartilage, especially in joint regions of well-developed superficial layers, more often in yearlings than in adult horses. These results indicate that intramitochondrial crystals are related to the high mechanical stress in the horse joint and potentially also to the increased metabolic activity of immature individuals.

  17. Channeling through Bent Crystals

    SciTech Connect

    Mack, Stephanie; /Ottawa U. /SLAC

    2012-09-07

    Bent crystals have demonstrated potential for use in beam collimation. A process called channeling is when accelerated particle beams are trapped by the nuclear potentials in the atomic planes within a crystal lattice. If the crystal is bent then the particles can follow the bending angle of the crystal. There are several different effects that are observed when particles travel through a bent crystal including dechanneling, volume capture, volume reflection and channeling. With a crystal placed at the edge of a particle beam, part of the fringe of the beam can be deflected away towards a detector or beam dump, thus helping collimate the beam. There is currently FORTRAN code by Igor Yazynin that has been used to model the passage of particles through a bent crystal. Using this code, the effects mentioned were explored for beam energy that would be seen at the Facility for Advanced Accelerator Experimental Tests (FACET) at a range of crystal orientations with respect to the incoming beam. After propagating 5 meters in vacuum space past the crystal the channeled particles were observed to separate from most of the beam with some noise due to dechanneled particles. Progressively smaller bending radii, with corresponding shorter crystal lengths, were compared and it was seen that multiple scattering decreases with the length of the crystal therefore allowing for cleaner detection of the channeled particles. The input beam was then modified and only a portion of the beam sent through the crystal. With the majority of the beam not affected by the crystal, most particles were not deflected and after propagation the channeled particles were seen to be deflected approximately 5mm. After a portion of the beam travels through the crystal, the entire beam was then sent through a quadrupole magnet, which increased the separation of the channeled particles from the remainder of the beam to a distance of around 20mm. A different code, which was developed at SLAC, was used to

  18. Protein crystal growth

    NASA Technical Reports Server (NTRS)

    Bugg, Charles E.

    1993-01-01

    Proteins account for 50% or more of the dry weight of most living systems and play a crucial role in virtually all biological processes. Since the specific functions of essentially all biological molecules are determined by their three-dimensional structures, it is obvious that a detailed understanding of the structural makeup of a protein is essential to any systematic research pertaining to it. At the present time, protein crystallography has no substitute, it is the only technique available for elucidating the atomic arrangements within complicated biological molecules. Most macromolecules are extremely difficult to crystallize, and many otherwise exciting and promising projects have terminated at the crystal growth stage. There is a pressing need to better understand protein crystal growth, and to develop new techniques that can be used to enhance the size and quality of protein crystals. There are several aspects of microgravity that might be exploited to enhance protein crystal growth. The major factor that might be expected to alter crystal growth processes in space is the elimination of density-driven convective flow. Another factor that can be readily controlled in the absence of gravity is the sedimentation of growing crystal in a gravitational field. Another potential advantage of microgravity for protein crystal growth is the option of doing containerless crystal growth. One can readily understand why the microgravity environment established by Earth-orbiting vehicles is perceived to offer unique opportunities for the protein crystallographer. The near term objectives of the Protein Crystal Growth in a Microgravity Environment (PCG/ME) project is to continue to improve the techniques, procedures, and hardware systems used to grow protein crystals in Earth orbit.

  19. Fluorescent Applications to Crystallization

    NASA Technical Reports Server (NTRS)

    Pusey, Marc L.; Forsythe, Elizabeth; Achari, Aniruddha

    2006-01-01

    By covalently modifying a subpopulation, less than or equal to 1%, of a macromolecule with a fluorescent probe, the labeled material will add to a growing crystal as a microheterogeneous growth unit. Labeling procedures can be readily incorporated into the final stages of purification, and tests with model proteins have shown that labeling u to 5 percent of the protein molecules does not affect the X-ray data quality obtained . The presence of the trace fluorescent label gives a number of advantages. Since the label is covalently attached to the protein molecules, it "tracks" the protein s response to the crystallization conditions. The covalently attached probe will concentrate in the crystal relative to the solution, and under fluorescent illumination crystals show up as bright objects against a darker background. Non-protein structures, such as salt crystals, do not show up under fluorescent illumination. Crystals have the highest protein concentration and are readily observed against less bright precipitated phases, which under white light illumination may obscure the crystals. Automated image analysis to find crystals should be greatly facilitated, without having to first define crystallization drop boundaries as the protein or protein structures is all that shows up. Fluorescence intensity is a faster search parameter, whether visually or by automated methods, than looking for crystalline features. Preliminary tests, using model proteins, indicates that we can use high fluorescence intensity regions, in the absence of clear crystalline features or "hits", as a means for determining potential lead conditions. A working hypothesis is that more rapid amorphous precipitation kinetics may overwhelm and trap more slowly formed ordered assemblies, which subsequently show up as regions of brighter fluorescence intensity. Experiments are now being carried out to test this approach using a wider range, of proteins. The trace fluorescently labeled crystals will also

  20. Symmetric Satellite Swarms and Choreographic Crystals

    NASA Astrophysics Data System (ADS)

    Boyle, Latham; Khoo, Jun Yong; Smith, Kendrick

    2016-01-01

    In this Letter, we introduce a natural dynamical analogue of crystalline order, which we call choreographic order. In an ordinary (static) crystal, a high degree of symmetry may be achieved through a careful arrangement of the fundamental repeated elements. In the dynamical analogue, a high degree of symmetry may be achieved by having the fundamental elements perform a carefully choreographed dance. For starters, we show how to construct and classify all symmetric satellite constellations. Then we explain how to generalize these ideas to construct and classify choreographic crystals more broadly. We introduce a quantity, called the "choreography" of a given configuration. We discuss the possibility that some (naturally occurring or artificial) many-body or condensed-matter systems may exhibit choreographic order, and suggest natural experimental signatures that could be used to identify and characterize such systems.

  1. Symmetric Satellite Swarms and Choreographic Crystals.

    PubMed

    Boyle, Latham; Khoo, Jun Yong; Smith, Kendrick

    2016-01-08

    In this Letter, we introduce a natural dynamical analogue of crystalline order, which we call choreographic order. In an ordinary (static) crystal, a high degree of symmetry may be achieved through a careful arrangement of the fundamental repeated elements. In the dynamical analogue, a high degree of symmetry may be achieved by having the fundamental elements perform a carefully choreographed dance. For starters, we show how to construct and classify all symmetric satellite constellations. Then we explain how to generalize these ideas to construct and classify choreographic crystals more broadly. We introduce a quantity, called the "choreography" of a given configuration. We discuss the possibility that some (naturally occurring or artificial) many-body or condensed-matter systems may exhibit choreographic order, and suggest natural experimental signatures that could be used to identify and characterize such systems.

  2. Development of novel growth methods for halide single crystals

    NASA Astrophysics Data System (ADS)

    Yokota, Yuui; Kurosawa, Shunsuke; Shoji, Yasuhiro; Ohashi, Yuji; Kamada, Kei; Yoshikawa, Akira

    2017-03-01

    We developed novel growth methods for halide scintillator single crystals with hygroscopic nature, Halide micro-pulling-down [H-μ-PD] method and Halide Vertical Bridgman [H-VB] method. The H-μ-PD method with a removable chamber system can grow a single crystal of halide scintillator material with hygroscopicity at faster growth rate than the conventional methods. On the other hand, the H-VB method can grow a large bulk single crystal of halide scintillator without a quartz ampule. CeCl3, LaBr3, Ce:LaBr3 and Eu:SrI2 fiber single crystals could be grown by the H-μ-PD method and Eu:SrI2 bulk single crystals of 1 and 1.5 inch in diameter could be grown by the H-VB method. The grown fiber and bulk single crystals showed comparable scintillation properties to the previous reports using the conventional methods.

  3. Firsthand Nature

    ERIC Educational Resources Information Center

    Gostev, Moses; Weiss, Francesca Michaelides

    2007-01-01

    It's no secret that many school programs don't give children enough opportunity to explore the natural world--i.e., to "mess about" and to have firsthand experience with nature and animals. Not so at the Muscota New School in New York City! This innovative public elementary school actively promotes inquiry-based learning and encourages…

  4. Nature plants.

    PubMed

    2014-06-01

    We welcome our new sister journal Nature Plants and the increased commitment to the plant science community that it represents. This is an opportunity for Nature Genetics to emphasize the use of genetic and genomic tools and resources in discovering new plant biology and solving major agricultural challenges.

  5. Natural death.

    PubMed

    Oehmichen, M; Meissner, C

    2000-01-01

    The increasing age of every human being is the beginning of the end of life, an obviously natural process, but any attempt to define the term 'natural death' soon encounters difficulties in defining what is meant by 'natural'. In the industrialized countries of the West, for example 'natural death' is thought of as the opposite of non-natural types of death such as accidental death, suicide, and homicide. The aim of our present survey is to discuss the meaning of the term 'natural death' under a clinical, a forensic and a scientific point of view with regard to recent developments especially in molecular biology. If there are 'external' physical influences, a medical-technical manipulation, a therapeutic or molecular biological intervention cannot be definitely ruled out as the cause of death, then use of the term 'natural death' in general is open to question. It will only remain meaningful if it can be applied with a specific meaning in definite practical situations. Current research and medical technology, however, do not allow use of the term 'natural death' in its conventional sense: it can thus be stricken from the medical vocabulary. Copyright 2000 S. Karger AG, Basel

  6. Firsthand Nature

    ERIC Educational Resources Information Center

    Gostev, Moses; Weiss, Francesca Michaelides

    2007-01-01

    It's no secret that many school programs don't give children enough opportunity to explore the natural world--i.e., to "mess about" and to have firsthand experience with nature and animals. Not so at the Muscota New School in New York City! This innovative public elementary school actively promotes inquiry-based learning and encourages…

  7. Nature Detectives

    ERIC Educational Resources Information Center

    Harr, Natalie; Lee, Richard E.; Jr.

    2010-01-01

    Richard Louv's "Last Child in the Woods" (2008) added to a growing consensus to get children outside and experiencing nature. Using ideas from place-based education, the authors present a simple year-long project that brings science, nature, and other curriculum standards to life right in your school yard. With a focus on journaling, this project…

  8. Matematica Natural.

    ERIC Educational Resources Information Center

    Lozano, Patricia; Medearis, Linda

    Matematica Natural (Natural Mathematics) is a mathematics curriculum for young children based on the assumption that they learn mathematics through concrete, real life, relevant experiences and that educational differences rather than cultural differences influence math achievement. The curriculum uses hands-on materials and activities to teach…

  9. Natural Beauty

    ERIC Educational Resources Information Center

    Coy, Mary

    2006-01-01

    In this article, the author describes how her art class students were able to create, in just four class periods, clay relief plaques depicting nature. A lesson on texture speeds up the completion of such a project. Seeing that clay is a natural material with its own unique texture, it seemed fitting that the final product should depict a variety…

  10. Natural Beauty

    ERIC Educational Resources Information Center

    Coy, Mary

    2006-01-01

    In this article, the author describes how her art class students were able to create, in just four class periods, clay relief plaques depicting nature. A lesson on texture speeds up the completion of such a project. Seeing that clay is a natural material with its own unique texture, it seemed fitting that the final product should depict a variety…

  11. Matematica Natural.

    ERIC Educational Resources Information Center

    Lozano, Patricia; Medearis, Linda

    Matematica Natural (Natural Mathematics) is a mathematics curriculum for young children based on the assumption that they learn mathematics through concrete, real life, relevant experiences and that educational differences rather than cultural differences influence math achievement. The curriculum uses hands-on materials and activities to teach…

  12. Nature Detectives

    ERIC Educational Resources Information Center

    Harr, Natalie; Lee, Richard E.; Jr.

    2010-01-01

    Richard Louv's "Last Child in the Woods" (2008) added to a growing consensus to get children outside and experiencing nature. Using ideas from place-based education, the authors present a simple year-long project that brings science, nature, and other curriculum standards to life right in your school yard. With a focus on journaling, this project…

  13. Proline: Mother Nature;s cryoprotectant applied to protein crystallography

    SciTech Connect

    Pemberton, Travis A.; Still, Brady R.; Christensen, Emily M.; Singh, Harkewal; Srivastava, Dhiraj; Tanner, John J.

    2012-09-05

    L-Proline is one of Mother Nature's cryoprotectants. Plants and yeast accumulate proline under freeze-induced stress and the use of proline in the cryopreservation of biological samples is well established. Here, it is shown that L-proline is also a useful cryoprotectant for protein crystallography. Proline was used to prepare crystals of lysozyme, xylose isomerase, histidine acid phosphatase and 1-pyrroline-5-carboxylate dehydrogenase for low-temperature data collection. The crystallization solutions in these test cases included the commonly used precipitants ammonium sulfate, sodium chloride and polyethylene glycol and spanned the pH range 4.6-8.5. Thus, proline is compatible with typical protein-crystallization formulations. The proline concentration needed for cryoprotection of these crystals is in the range 2.0-3.0 M. Complete data sets were collected from the proline-protected crystals. Proline performed as well as traditional cryoprotectants based on the diffraction resolution and data-quality statistics. The structures were refined to assess the binding of proline to these proteins. As observed with traditional cryoprotectants such as glycerol and ethylene glycol, the electron-density maps clearly showed the presence of proline molecules bound to the protein. In two cases, histidine acid phosphatase and 1-pyrroline-5-carboxylate dehydrogenase, proline binds in the active site. It is concluded that L-proline is an effective cryoprotectant for protein crystallography.

  14. Thermodynamic and kinetic aspects of fat crystallization.

    PubMed

    Himawan, C; Starov, V M; Stapley, A G F

    2006-09-25

    Naturally occurring fats are multi-component mixtures of triacylglycerols (TAGs), which are triesters of fatty acids with glycerol, and of which there are many chemically distinct compounds. Due to the importance of fats to the food and consumer products industries, fat crystallization has been studied for many years and many intricate features of TAG interactions, complicated by polymorphism, have been identified. The melting and crystallization properties of triacylglycerols are very sensitive to even small differences in fatty acid composition and position within the TAG molecule which cause steric hindrance. Differences of fatty acid chain length within a TAG lead to packing imperfections, and differences in chain lengths between different TAG molecules lead to a loss of intersolubility in the solid phase. The degree of saturation is hugely important as the presence of a double bond in a fatty acid chain causes rigid kinks in the fatty acid chains that produce huge disruption to packing structures with the result that TAGs containing double bonds have much lower melting points than completely saturated TAGs. All of these effects are more pronounced in the most stable polymorphic forms, which require the most efficient molecular packing. The crystallization of fats is complicated not just by polymorphism, but also because it usually occurs from a multi-component melt rather than from a solvent which is more common in other industrial crystallizations. This renders the conventional treatment of crystallization as a result of supersaturation somewhat meaningless. Most studies in the literature consequently quantify crystallization driving forces using the concept of supercooling below a distinct melting point. However whilst this is theoretically valid for a single component system, it can only at best represent a rough approximation for natural fat systems, which display a range of melting points. This paper reviews the latest attempts to describe the sometimes

  15. Crystallization of pegmatites: Insights from chemistry of garnet, Jacumba pegmatites, San Diego County, California

    NASA Astrophysics Data System (ADS)

    Thompson, M.; Sirbescu, M. C.

    2013-12-01

    Systematic mineral and textural variations from the border zone to the core of a zoned pegmatite sheet may reflect the kinetic or equilibrium fractionation processes that occurred during sequential crystallization of the pegmatite magma. Rhythmic layering, also named 'line rock', is a salient textural feature of world famous San Diego Co. pegmatites, that consists of alternating garnet × tourmaline layers and albite - quartz layers, mm's to cm's thick. Slowly diffusing, incompatible elements in the felsic magma including B, Fe, and Mn may become enriched in boundary layers formed ahead of rapidly crystallized quartzo-felspathic assemblages. This study explores whether the chemistry of garnet concentrated in the border and foot-wall zones and dispersed in the graphic feldspar, core, and pocket zones of Garnet Ledge pegmatite, Jacumba district, might fingerprint the diffusion-controlled oscillatory boundary layers. The lithium-cesium-tantalum (LCT) Jacumba pegmatite district, late product of the Eastern Peninsular Ranges Batholith, consists of numerous subparallel dikes, 3 to 7 m thick, intruding pre-batholitic metasedimentary rocks. The composite aplite-pegmatite dikes are texturally diverse. Comb-textured tourmaline, other unidirectional textures, garnet × tourmaline 'line rock', and coarse graphic K-feldspar crystals occur in the outer zones, followed by massive feldspar-quartz cores, vuggy cleavlandite- euhedral garnet, and miarolitic cavities. The Jacumba pegmatites have produced gem spodumene, beryl, and garnet from several open cuts such as the Beebe Hole and Pack Rat - Garnet Ledge workings. Systematic mineralogical and textural variations, and SEM-EDS garnet compositions were recorded from border to core at Garnet Ledge outcrop and thin section scale, focusing on continuous traverses across the line rock. Garnet from Garnet Ledge belongs to the spessartine-almandine series (Sp42 to Sp65) with minor contents of Mg, Ca, and Ti, consistent with garnet

  16. Solubility, thermal, photoconductivity and laser damage threshold studies on L-serine acetate (LSA) single crystal

    NASA Astrophysics Data System (ADS)

    Rajesh, K.; Thayanithi, V.; Mani, A.; Amudha, M.; Kumar, P. Praveen

    2015-06-01

    L-serine acetate crystal was grown by slow evaporation technique. Solubility of L-Serine Acetate was determined at different temperatures. L-Serine Acetate was characterized by SEM is to identify the morphology of the crystal. TG and DTA study reveals the thermal stability of the grown crystal. Dielectric measurement was carried out for different temperature ranges. Photo conductivity study revealed the nature of conductivity of the crystal under halogen light. Laser damage threshold of the crystal was measured using Nd:YAG laser source. NLO property of the crystal is confirmed by Kurtz-Perry powder technique.

  17. Growth and surface topography of WSe{sub 2} single crystal

    SciTech Connect

    Dixit, Vijay Vyas, Chirag; Pataniya, Pratik; Jani, Mihir; Pathak, Vishal; Patel, Abhishek; Pathak, V. M. Patel, K. D. Solanki, G. K.

    2016-05-06

    Tungsten Di-Selenide belongs to the family of TMDCs showing their potential applications in the fields of Optoelectronics and PEC solar cells. Here in the present investigation single crystals of WSe{sub 2} were grown by Direct Vapour Transport Technique in a dual zone furnace having temperature difference of 50 K between the two zones. These single crystals were characterized by EDAX which confirms the stiochiometry of the grown crystals. Surface topography of the crystal was studied by optical micrograph showing the left handed spirals on the surface of WSe{sub 2} crystals. Single crystalline nature of the crystals was confirmed by SAED.

  18. Trace fluorescent labeling for protein crystallization

    SciTech Connect

    Pusey, Marc Barcena, Jorge; Morris, Michelle; Singhal, Anuj; Yuan, Qunying; Ng, Joseph

    2015-06-27

    The presence of a covalently bound fluorescent probe at a concentration of <0.5% does not affect the outcome of macromolecule crystallization screening experiments. Additionally, the fluorescence can be used to determine new, not immediately apparent, lead crystallization conditions. Fluorescence can be a powerful tool to aid in the crystallization of proteins. In the trace-labeling approach, the protein is covalently derivatized with a high-quantum-yield visible-wavelength fluorescent probe. The final probe concentration typically labels ≤0.20% of the protein molecules, which has been shown to not affect the crystal nucleation or diffraction quality. The labeled protein is then used in a plate-screening experiment in the usual manner. As the most densely packed state of the protein is the crystalline form, then crystals show as the brightest objects in the well under fluorescent illumination. A study has been carried out on the effects of trace fluorescent labeling on the screening results obtained compared with nonlabeled protein, and it was found that considering the stochastic nature of the crystal nucleation process the presence of the probe did not affect the outcomes obtained. Other effects are realised when using fluorescence. Crystals are clearly seen even when buried in precipitate. This approach also finds ‘hidden’ leads, in the form of bright spots, with ∼30% of the leads found being optimized to crystals in a single-pass optimization trial. The use of visible fluorescence also enables the selection of colors that bypass interfering substances, and the screening materials do not have to be UV-transparent.

  19. Crystals for stellar spectrometers

    NASA Technical Reports Server (NTRS)

    Alexandropoulos, N. G.; Cohen, G. G.

    1974-01-01

    Crystal evaluation as it applies to instrumentation employed in X-ray astronomy is reviewed, and some solutions are offered to problems that are commonly encountered. A general approach for selecting the most appropriate crystals for a given problem is also suggested. The energy dependence of the diffraction properties of (002) PET, (111) Ge, (101) ADP, (101) KAP, and (001) RAP are reported.

  20. Thermotropic Ionic Liquid Crystals

    PubMed Central

    Axenov, Kirill V.; Laschat, Sabine

    2011-01-01

    The last five years’ achievements in the synthesis and investigation of thermotropic ionic liquid crystals are reviewed. The present review describes the mesomorphic properties displayed by organic, as well as metal-containing ionic mesogens. In addition, a short overview on the ionic polymer and self-assembled liquid crystals is given. Potential and actual applications of ionic mesogens are also discussed. PMID:28879986

  1. Crystal Shape Bingo.

    ERIC Educational Resources Information Center

    Rule, Audrey C.

    This document describes a game that provides students with practice in recognizing three dimensional crystal shapes and planar geometric shapes of crystal faces. It contains information on the objective of the game, game preparation, and rules for playing. Play cards are included (four to a page). (ASK)

  2. Crystals for stellar spectrometers

    NASA Technical Reports Server (NTRS)

    Alexandropoulos, N. G.; Cohen, G. G.

    1974-01-01

    Crystal evaluation as it applies to instrumentation employed in X-ray astronomy is reviewed, and some solutions are offered to problems that are commonly encountered. A general approach for selecting the most appropriate crystals for a given problem is also suggested. The energy dependence of the diffraction properties of (002) PET, (111) Ge, (101) ADP, (101) KAP, and (001) RAP are reported.

  3. Crystal growth and crystallography

    NASA Technical Reports Server (NTRS)

    Chernov, A. A.

    1998-01-01

    Selected topics that may be of interest for both crystal-structure and crystal-growth communities are overviewed. The growth of protein crystals, along with that of some other compounds, is one of the topics, and recent insights into related phenomena are considered as examples of applications of general principles. The relationship between crystal growth shape and structure is reviewed and an attempt to introduce semiquantitative characterization of binding for proteins is made. The concept of kinks for complex structures is briefly discussed. Even at sufficiently low supersaturations, the fluctuation of steps may not be sufficient to implement the Gibbs-Thomson law if the kink density is low enough. Subsurface ordering of liquids and growth of rough interfaces from melts is discussed. Crystals growing in microgravity from solution should be more perfect if they preferentially trap stress-inducing impurities, thus creating an impurity-depleted zone around themselves. Evidently, such a zone is developed only around the crystals growing in the absence of convection. Under terrestrial conditions, the self-purified depleted zone is destroyed by convection, the crystal traps more impurity and grows stressed. The stress relief causes mosaicity. In systems containing stress-inducing but poorly trapped impurities, the crystals grown in the absence of convection should be worse than those of their terrestrial counterparts.

  4. Walkout in Crystal City

    ERIC Educational Resources Information Center

    Barrios, Greg

    2009-01-01

    When students take action, they create change that extends far beyond the classroom. In this article, the author, who was a former teacher from Crystal City, Texas, remembers the student walkout that helped launch the Latino civil rights movement 40 years ago. The Crystal City student walkout remains a high point in the history of student activism…

  5. Demonstration of Crystal Structure.

    ERIC Educational Resources Information Center

    Neville, Joseph P.

    1985-01-01

    Describes an experiment where equal parts of copper and aluminum are heated then cooled to show extremely large crystals. Suggestions are given for changing the orientation of crystals by varying cooling rates. Students are more receptive to concepts of microstructure after seeing this experiment. (DH)

  6. Walkout in Crystal City

    ERIC Educational Resources Information Center

    Barrios, Greg

    2009-01-01

    When students take action, they create change that extends far beyond the classroom. In this article, the author, who was a former teacher from Crystal City, Texas, remembers the student walkout that helped launch the Latino civil rights movement 40 years ago. The Crystal City student walkout remains a high point in the history of student activism…

  7. Thermal equation of state of natural tourmaline at high pressure and temperature

    NASA Astrophysics Data System (ADS)

    Xu, Jingui; Kuang, Yunqian; Zhang, Bo; Liu, Yonggang; Fan, Dawei; Li, Xiaodong; Xie, Hongsen

    2016-05-01

    Synchrotron-based in situ angle-dispersive X-ray diffraction experiments were conducted on a natural uvite-dominated tourmaline sample by using an external-heating diamond anvil cell at simultaneously high pressures and temperatures up to 18 GPa and 723 K, respectively. The angle-dispersive X-ray diffraction data reveal no indication of a structural phase transition over the P-T range of the current experiment in this study. The pressure-volume-temperature data were fitted by the high-temperature Birch-Murnaghan equation of state. Isothermal bulk modulus of K 0 = 96.6 (9) GPa, pressure derivative of the bulk modulus of K0^' } = 12.5 (4), thermal expansion coefficient of α 0 = 4.39 (27) × 10-5 K-1 and temperature derivative of the bulk modulus ( ∂K/∂T) P = -0.009 (6) GPa K-1 were obtained. The axial thermoelastic properties were also obtained with K a0 = 139 (2) GPa, K_{a0}^' } = 11.5 (7) and α a0 = 1.00 (11) × 10-5 K-1 for the a-axis, and K c0 = 59 (1) GPa, K_{c0}^' } = 11.4 (5) and α c0 = 2.41 (24) × 10-5 K-1 for the c-axis. Both of axial compression and thermal expansion exhibit large anisotropic behavior. Thermoelastic parameters of tourmaline in this study were also compared with that of the other two ring silicates of beryl and cordierite.

  8. High resolution synchrotron X-radiation diffraction imaging of crystals grown in microgravity and closely related terrestrial crystals

    NASA Technical Reports Server (NTRS)

    Steiner, Bruce; Dobbyn, Ronald C.; Black, David; Burdette, Harold; Kuriyama, Masao; Fripp, Archibald; Simchik, Richard

    1991-01-01

    Irregularities in three crystals grown in space and in four terrestrial crystals grown under otherwise comparable conditions have been observed in high resolution diffraction imaging. The images provide important new clues to the nature and origins of irregularities in each crystal. For two of the materials, mercuric iodide and lead tin telluride, more than one phase (an array of non-diffracting inclusions) was observed in terrestrial samples; but the formation of these multiple phases appears to have been suppressed in directly comparable crystals grown in microgravity. The terrestrial seed crystal of triglycine sulfate displayed an unexpected layered structure, which propagated during directly comparable space growth. Terrestrial Bridgman regrowth of gallium arsenide revealed a mesoscopic structure substantially different from that of the original Czochralski material. A directly comparable crystal is to be grown shortly in space.

  9. High resolution synchrotron X-radiation diffraction imaging of crystals grown in microgravity and closely related terrestrial crystals

    NASA Technical Reports Server (NTRS)

    Steiner, Bruce; Dobbyn, Ronald C.; Black, David; Burdette, Harold; Kuriyama, Masao; Fripp, Archibald; Simchik, Richard

    1991-01-01

    Irregularities in three crystals grown in space and in four terrestrial crystals grown under otherwise comparable conditions have been observed in high resolution diffraction imaging. The images provide important new clues to the nature and origins of irregularities in each crystal. For two of the materials, mercuric iodide and lead tin telluride, more than one phase (an array of non-diffracting inclusions) was observed in terrestrial samples; but the formation of these multiple phases appears to have been suppressed in directly comparable crystals grown in microgravity. The terrestrial seed crystal of triglycine sulfate displayed an unexpected layered structure, which propagated during directly comparable space growth. Terrestrial Bridgman regrowth of gallium arsenide revealed a mesoscopic structure substantially different from that of the original Czochralski material. A directly comparable crystal is to be grown shortly in space.

  10. Conformal Vortex Crystals.

    PubMed

    Menezes, Raí M; Silva, Clécio C de Souza

    2017-10-06

    We investigate theoretically globally nonuniform configurations of quantized-flux vortices in clean superconductors trapped by an external force field that induces a nonuniform vortex density profile. Using an extensive series of numerical simulations, we demonstrate that, for suitable choices of the force field, and bellow a certain transition temperature, the vortex system self-organizes into highly inhomogeneous conformal crystals in a way as to minimize the total energy. These nonuniform structures are topologically ordered and can be mathematically mapped into a triangular Abrikosov lattice via a conformal transformation. Above the crystallization temperature, the conformal vortex crystal becomes unstable and gives place to a nonuniform polycrystalline structure. We propose a simple method to engineer the potential energy profile necessary for the observation of conformal crystals of vortices, which can also be applied to other 2D particle systems, and suggest possible experiments in which conformal or quasi-conformal vortex crystals could be observed in bulk superconductors and in thin films.

  11. Processing anthracene single crystals

    NASA Astrophysics Data System (ADS)

    Ujhelyi, S.

    1981-11-01

    A mechanical-chemical process for cutting anthracene crystals is described. A thread, soaked in toluene, dissolves a thin layer away from the material. The crystal is fixed to a metal platform placed between the two spools which wind the thread. The thread is not allowed to tighten as it crosses the crystal. For polishing, the slices are bonded with a gelatin solution onto a plexiglass disk, and rubbed with fine silk wetted with toluene. When one side is done the disk is immersed in water (room temperature) and soaks until the crystal can be removed, and the other side can be done. If the crystal splits in two, it can be rejoined using Canada balsam.

  12. Polymer Crystallization under Confinement

    NASA Astrophysics Data System (ADS)

    Floudas, George

    Recent efforts indicated that polymer crystallization under confinement can be substantially different from the bulk. This can have important technological applications for the design of polymeric nanofibers with tunable mechanical strength, processability and optical clarity. However, the question of how, why and when polymers crystallize under confinement is not fully answered. Important studies of polymer crystallization confined to droplets and within the spherical nanodomains of block copolymers emphasized the interplay between heterogeneous and homogeneous nucleation. Herein we report on recent studies1-5 of polymer crystallization under hard confinement provided by model self-ordered AAO nanopores. Important open questions here are on the type of nucleation (homogeneous vs. heterogeneous), the size of critical nucleus, the crystal orientation and the possibility to control the overall crystallinity. Providing answers to these questions is of technological relevance for the understanding of nanocomposites containing semicrystalline polymers. In collaboration with Y. Suzuki, H. Duran, M. Steinhart, H.-J. Butt.

  13. [Polarization-sensitive characteristics of the transmission spectra in photonic crystal with nematic liquid crystal defects].

    PubMed

    Dai, Qin; Wu, Ri-na; Yan, Bin; Zhang, Rui-liang; Wang, Peng-chong; Quan, Wei; Xu, Song-ning

    2012-05-01

    The polarization-sensitive characteristics in the transmission spectra of TiO2/SiO2 optical multilayer films of one-dimensional photonic crystal (1D PC) with nematic liquid crystal defects were investigated in the present paper. The transmission spectra measurements and simulated results show that the polarization-sensitive feature was obvious when natural light was normal incident onto the parallelly aligned nematic liquid crystal. There were peaks of the extraordinary light (TE mode) with center wavelengths 1831 and 1800 nm and the ordinary light (TM mode) with center wavelengths 1452 and 1418 nm in the photonic forbidden band, respectively. With applied voltage increasing, the peaks of the extraordinary light was blue-shifted, and coincided with the peaks of O light gradually. Their tunable ranges were about 31 and 34 nm, respectively. For the random nematic liquid crystal, polarization sensitivity was not observed. Meanwhile, an individual extraordinary light peak with center wavelength 1801 nm and an individual ordinary light peak with center wavelength 1391 nm were obtained in the photonic forbidden band, respectively. The peaks were also found blue-shifted with applied voltage increasing, and their tunable ranges were about 64 and 15 nm, respectively. The polarization insensitive photonic crystal with nematic liquid crystal defects can be achieved by random liquid crystal molecules, which make the effective refractive index of the extraordinary light equal to that of the ordinary light.

  14. Crystallization of inorganic nonlinear optical zinc di-magnesium chloro sulphate (ZDMCS) single crystal

    NASA Astrophysics Data System (ADS)

    Arivuselvi, R.; Ruban Kumar, A.

    2017-02-01

    The growth of inorganic zinc di-magnesium chloro sulphate (ZDMCS) nonlinear optical material from low temperature evaporation technique at ambient temperature has been reported. The dimension of harvested crystal is 28×10×2 mm3 and is possess rectangular shape morphology. The single crystal X-ray diffraction studies confirmed that the grown crystal belongs to the system of trigonal. The S-Cl stretching vibrations and Mg2+ ions present in the sample were observed by FTIR spectrometer. The cut-off wavelength of the grown crystal is about 203 nm is found by UV-visible absorption spectrum. The nonlinear optical efficiency was determined by powder Kurtz Perry technique. EDAX spectrum confirms the presence of elements within the material. Dielectric nature of the sample was analyzed for the frequency range 50 Hz to 5 MHz at different temperatures. The mechanical behaviour of the title compound was investigated using Vicker's microhardness tester.

  15. Optical reflector and high Q filter based on two-dimensional photonic-crystal waveguide1

    Sponsored by National Natural Science Foundation of China (No. 90206002) and Natural Science Key Project of Anhui Province (2004kj364zd).

    1

    NASA Astrophysics Data System (ADS)

    Peijun, Yao; Xiyao, Chen; Bo, Chen; Yonghua, Lu; Pei, Wang; Xiaojin, Jiao; Hai, Ming; Jianping, Xie

    2004-06-01

    In this paper, we investigated the reflectivity of the reflector based on two-dimensional photonic crystal waveguide on defect's position, defect's radius and defect's index by finite difference time domain method. It is found that the reflectivity of the reflector strongly depends on the position of the defect, the reflectivity increases when the defect moves away from the grid point along the direction perpendicular to the waveguide, and we can obtain reflectivity of almost 100% in some suitable position. Meanwhile, we discuss that the reflectivity change with the defect's radius and its refractive index. Moreover, we have designed and simulated a high quality factor ( Q) filter constructed by one-defect reflectors in a simple structure. In our design, the Q will be increased by three times without any more constructional complexity.

  16. Capillarity creates single-crystal calcite nanowires from amorphous calcium carbonate.

    PubMed

    Kim, Yi-Yeoun; Hetherington, Nicola B J; Noel, Elizabeth H; Kröger, Roland; Charnock, John M; Christenson, Hugo K; Meldrum, Fiona C

    2011-12-23

    Single-crystal calcite nanowires are formed by crystallization of morphologically equivalent amorphous calcium carbonate (ACC) particles within the pores of track etch membranes. The polyaspartic acid stabilized ACC is drawn into the membrane pores by capillary action, and the single-crystal nature of the nanowires is attributed to the limited contact of the intramembrane ACC particle with the bulk solution. The reaction environment then supports transformation to a single-crystal product.

  17. Crystal growth of semiconductor bulk crystals

    SciTech Connect

    Kakimoto, Koichi

    2010-07-22

    This course is aimed at showing how to grow bulk crystals by using several methods. The course involves the following points. The growth methods of Bridgman and Czochralski will be introduced. The course also focuses on the mechanism of some processes with consideration of the basic phenomenon. Experimental and numerical examples of the methods will also be introduced.

  18. The Nature of Natural Languages.

    ERIC Educational Resources Information Center

    Pierce, Joe E.

    A variety of types of evidence are examined to help determine the true nature of "deep structure" and what, if any, implications this has for linguistic theory as well as culture theory generally. The evidence accumulated over the past century on the nature of phonetic and phonemic systems is briefly discussed, and the following areas of…

  19. Crystallization kinetics in magmas during decompression

    NASA Astrophysics Data System (ADS)

    Arzilli, Fabio; Burton, Mike; Carroll, Michael R.

    2016-04-01

    Many variables play a role during magma crystallization at depth or in a volcanic conduit, and through experimentally derived constraints we can better understand pre- and syn-eruptive magma crystallization behavior. The thermodynamic properties of magmas have been extensively investigated as a function of T, P, fO2 and magma composition [1], and this allows estimation of the stability of equilibrium phases and physical parameters (e.g., density, viscosity). However, many natural igneous rocks contain geochemical, mineralogical and textural evidence of disequilibrium, suggesting that magmas frequently follow non-equilibrium, time-dependent pathways that are recorded in the geochemical and petrographic characteristics of the rocks. There are currently no suitable theoretical models capable of calculating nucleation and growth rates in disequilibrium conditions without experimental constraints. The aim of this contribution is provide quantitative data on growth and nucleation rates of feldspar crystals in silicate melts obtained through decompression experiments, in order to determine the magma evolution in pre- and sin-eruptive conditions. Decompression is one of the main processes that induce the crystallization of feldspar during the magma ascent in the volcanic conduit. Decompression experiments have been carried out on trachytic and basaltic melts to investigate crystallization kinetics of feldspar as a function of the effect of the degassing, undercooling and time on nucleation and crystal growth process [2; 3]. Furthermore, feldspar is the main crystals phase present in magmas, and its abundance can strongly vary with small changes in pressure, temperature and water content in the melt, implying appreciable variations in the textures and in the crystallization kinetics. Crystallization kinetics of trachytic melts show that long experiment durations involve more nucleation events of alkali feldspar than short experiment durations [2]. This is an important

  20. Crystallization of macromolecular complexes: combinatorial complex crystallization

    NASA Astrophysics Data System (ADS)

    Stura, Enrico A.; Graille, Marc; Charbonnier, Jean-Baptiste

    2001-11-01

    The usefulness of antibody complexation, as a way of increasing the chances of crystallization needs to be re-evaluated after many antibody complexes have been crystallized and their structure determined. It is somewhat striking that among these, only a small number is a complex with a large protein antigen. The problem is that the effort of raising, cleaving and purifying an Fab is rewarded only by an extra chance of getting crystals; depending on the relative likelihood of crystallization of the complexed and uncomplexed protein. The example of the complex between HIV gp120, CD4 and an Fab fragment from a neutralizing antibody suggests that further complexation of an antigen-antibody complex with a third protein could, by increasing the number of possible combinations, improve the likelihood of crystallization. We propose the use of Ig-binding proteins as a way of extending the method from HIV gp120 to all proteins for which there are monoclonal antibodies. We discuss this technique, combinatorial complex crystallization (CCC), as part of a multi-component system for the enhancement of crystallization of macromolecular complexes. The method makes use of single Ig-binding domains from Staphylococcus aureus protein A (SpA), Peptostreptococcus magnus protein L (PpL) and the streptococcal protein G (SpG). The generality of the method depends on the ability of these domains to interact with a large repertoire of antibodies without affecting antigen binding. There is strong evidence to suggest that these Ig-binding domains bind outside the antigen-combining site of the antibody without perturbing antigen binding. It is clear from the crystal structure of the single SpG domain complexed with an Fab that the interaction involves mainly the immunoglobulin CH1 domain, a region not involved in antigen recognition. We have recently determined the structure of the complex between a human Fab and the domain D from SpA and found that steric hindrance is unlikely even for large

  1. Strategies for the crystallization of viruses: using phase diagrams and gels to produce 3D crystals of Grapevine fanleaf virus.

    PubMed

    Schellenberger, Pascale; Demangeat, Gérard; Lemaire, Olivier; Ritzenthaler, Christophe; Bergdoll, Marc; Oliéric, Vincent; Sauter, Claude; Lorber, Bernard

    2011-05-01

    The small icosahedral plant RNA nepovirus Grapevine fanleaf virus (GFLV) is specifically transmitted by a nematode and causes major damage to vineyards worldwide. To elucidate the molecular mechanisms underlying the recognition between the surface of its protein capsid and cellular components of its vector, host and viral proteins synthesized upon infection, the wild type GFLV strain F13 and a natural mutant (GFLV-TD) carrying a Gly₂₉₇Asp mutation were purified, characterized and crystallized. Subsequently, the geometry and volume of their crystals was optimized by establishing phase diagrams. GFLV-TD was twice as soluble as the parent virus in the crystallization solution and its crystals diffracted X-rays to a resolution of 2.7 Å. The diffraction limit of GFLV-F13 crystals was extended from 5.5 to 3 Å by growth in agarose gel. Preliminary crystallographic analyses indicate that both types of crystals are suitable for structure determination. Keys for the successful production of GFLV crystals include the rigorous quality control of virus preparations, crystal quality improvement using phase diagrams, and crystal lattice reinforcement by growth in agarose gel. These strategies are applicable to the production of well-diffracting crystals of other viruses and macromolecular assemblies. Copyright © 2011 Elsevier Inc. All rights reserved.

  2. Magnetic Control of Convection during Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Ramachandran, N.; Leslie, F. W.

    2004-01-01

    An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular Crystals for diffraction analyses has been the central focus for bio-chemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and Sedimentation as is achieved in "microgravity", we have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, f o d o n of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. We postulate that limited convection in a magnetic field will provide the environment for the growth of high quality crystals. The approach exploits the variation of fluid magnetic susceptibility with counteracts on for this purpose and the convective damping is realized by appropriately positioning the crystal growth cell so that the magnetic susceptibility

  3. Magnetic Control of Convection during Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Ramachandran, N.; Leslie, F. W.

    2004-01-01

    An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular Crystals for diffraction analyses has been the central focus for bio-chemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and Sedimentation as is achieved in "microgravity", we have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, f o d o n of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. We postulate that limited convection in a magnetic field will provide the environment for the growth of high quality crystals. The approach exploits the variation of fluid magnetic susceptibility with counteracts on for this purpose and the convective damping is realized by appropriately positioning the crystal growth cell so that the magnetic susceptibility

  4. Shaped Crystal Growth

    NASA Astrophysics Data System (ADS)

    Tatartchenko, Vitali A.

    Crystals of specified shape and size (shaped crystals) with controlled crystal growth (SCG) defect and impurity structure have to be grown for the successful development of modern engineering. Since the 1950s many hundreds of papers and patents concerned with shaped growth have been published. In this chapter, we do not try to enumerate the successful applications of shaped growth to different materials but rather to carry out a fundamental physical and mathematical analysis of shaping as well as the peculiarities of shaped crystal structures. Four main techniques, based on which the lateral surface can be shaped without contact with the container walls, are analyzed: the Czochralski technique (CZT), the Verneuil technique (VT), the floating zone technique (FZT), and technique of pulling from shaper (TPS). Modifications of these techniques are analyzed as well. In all these techniques the shape of the melt meniscus is controlled by surface tension forces, i.e., capillary forces, and here they are classified as capillary shaping techniques (CST). We look for conditions under which the crystal growth process in each CST is dynamically stable. Only in this case are all perturbations attenuated and a crystal of constant cross section shaping technique (CST) grown without any special regulation. The dynamic stability theory of the crystal growth process for all CST is developed on the basis of Lyapunov's dynamic stability theory. Lyapunov's equations for the crystal growth processes follow from fundamental laws. The results of the theory allow the choice of stable regimes for crystal growth by all CST as well as special designs of shapers in TPS. SCG experiments by CZT, VT, and FZT are discussed but the main consideration is given to TPS. Shapers not only allow crystal of very complicated cross section to be grown but provide a special distribution of impurities. A history of TPS is provided later in the chapter, because it can only be described after explanation of the

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

    NASA Astrophysics Data System (ADS)

    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.

  6. Growth and characterization of Cu (II) doped negatively soluble lithium sulfate monohydrate crystals

    NASA Astrophysics Data System (ADS)

    Boopathi, K.; Ramasamy, P.; Bhagavannarayana, G.

    2014-01-01

    Single crystals of pure and Cu (II) doped negatively soluble lithium sulfate monohydrate have been grown by slow evaporation solution technique. In the present work, to improve the crystalline quality of lithium sulfate monohydrate crystal, metal dopant was incorporated into the pure crystals. The as grown crystals are clear, transparent and the sizes of the crystals were up to 18×12×3 mm3 and 50×15×5 mm3. The presence of metal dopant has been confirmed by energy dispersive spectroscopy, atomic absorption spectroscopy analysis. Single crystal and powder X-ray diffraction studies were carried out to ascertain lattice parameters and identify different phase nature. Optical transmission spectrum of the grown crystals was recorded. FT-IR and thermal analysis were carried out to investigate the functional group and thermal behavior of the grown crystals respectively. The grown crystal was subjected to Vickers micro hardness, HRXRD, piezoelectric, laser damage threshold measurements and second harmonic generation efficiency studies.

  7. Natural disasters.

    PubMed

    Cullen, J M

    1980-09-01

    This presentation covers the various types of natural disasters which are faced by investigators throughout the world. Each geophysical substance is discussed, including earth, air and water, and secondary effects including fire. Additionally, four myths associated with disasters are reviewed.

  8. Protein crystal growth in microgravity

    NASA Technical Reports Server (NTRS)

    Delucas, Lawrence J.; Smith, Craig D.; Smith, H. Wilson; Vijay-Kumar, Senadhi; Senadhi, Shobha E.; Ealick, Steven E.; Carter, Daniel C.; Snyder, Robert S.

    1989-01-01

    The crystals of most proteins or other biological macromolecules are poorly ordered and diffract to lower resolutions than those observed for most crystals of simple organic and inorganic compounds. Crystallization in the microgravity environment of space may improve crystal quality by eliminating convection effects near growing crystal surfaces. A series of 11 different protein crystal growth experiments was performed on U.S. Space Shuttle flight STS-26 in September 1988. The microgravity-grown crystals of gamma-interferon D1, porcine elastase, and isocitrate lyase are larger, display more uniform morphologies, and yield diffraction data to significantly higher resolutions than the best crystals of these proteins grown on earth.

  9. Natural aphrodisiacs.

    PubMed

    Shamloul, Rany

    2010-01-01

    The search for a remedy or a prescription that can enhance sexual function and/or treat male erectile dysfunction has been an obsession throughout known history. Whether it was an Eastern civilization or a Western one, religious or atheist, man's aspiration for a better or best "manhood" has been a history-time goal. This review will discuss the current research done on the most popular natural aphrodisiacs and examine the weight of evidence to support or discourage the use of any of these substances to enhance sexual desire and/or function. Review of the current evidence on the use of natural substances as aphrodisiacs. Efficacy of natural aphrodisiacs in enhancing sexual function in men and women. There is little evidence from literature to recommend the usage of natural aphrodisiacs for the enhancement of sexual desire and/or performance. Data on yohimbine's efficacy does not support the wide use of the drug, which has only mild effects in the treatment of psychogenic ED. Although there's a positive trend towards recommending ginseng as an effective aphrodisiac, however, more in depth studies involving large number of subjects and its mechanism of action are needed before definite conclusions could be reached. Data on the use of natural aphrodisiacs in women is limited. The current body of objective evidence does not support the use of any natural aphrodisiac as an effective treatment for male or female sexual dysfunctions. Potent men and men with ED will continue the search for natural aphrodisiacs despite the current disappointing data on their effectiveness. Care should be taken regarding the fraud addition of sildenafil analogues to natural aphrodisiacs.

  10. Quartz crystal growth

    DOEpatents

    Baughman, Richard J.

    1992-01-01

    A process for growing single crystals from an amorphous substance that can undergo phase transformation to the crystalline state in an appropriate solvent. The process is carried out in an autoclave having a lower dissolution zone and an upper crystallization zone between which a temperature differential (.DELTA.T) is maintained at all times. The apparatus loaded with the substance, solvent, and seed crystals is heated slowly maintaining a very low .DELTA.T between the warmer lower zone and cooler upper zone until the amorphous substance is transformed to the crystalline state in the lower zone. The heating rate is then increased to maintain a large .DELTA.T sufficient to increase material transport between the zones and rapid crystallization. .alpha.-Quartz single crystal can thus be made from fused quartz in caustic solvent by heating to 350.degree. C. stepwise with a .DELTA.T of 0.25.degree.-3.degree. C., increasing the .DELTA.T to about 50.degree. C. after the fused quartz has crystallized, and maintaining these conditions until crystal growth in the upper zone is completed.

  11. Linking Crystal Populations to Dynamic States: Crystal Dissolution and Growth During an Open-System Event

    NASA Astrophysics Data System (ADS)

    Bergantz, G. W.; Schleicher, J.; Burgisser, A.

    2016-12-01

    a second length scale to the mixing. It simultaneously forms a small mixing bowl in the pile of crystals sedimenting at the base. This can produce very complex populations even in a simple open-system event. Bergantz et al., 2015, Open-system dynamics and mixing in magma mushes, Nature Geosci., DOI: 10.1038/NGEO2534

  12. Crystallization kinetics of alkali feldspars in cooling and decompression-induced crystallization experiments in trachytic melt

    NASA Astrophysics Data System (ADS)

    Arzilli, Fabio; Carroll, Michael R.

    2013-10-01

    Cooling and decompression experiments have been carried out on trachytic melts in order to investigate crystallization kinetics of alkali feldspar, the effect of the degree of undercooling ( ΔT = T liquidus - T experimental) and time on nucleation and crystal growth process. This experimental work gives us new data about crystallization kinetics of trachytic melts, and it that will be useful to better understand the natural system of Campi Flegrei volcanoes. Experiments have been conducted using cold seal pressure vessel apparatus, at pressure between 30 and 200 MPa, temperature between 750 and 855 °C, time between 7,200 and 57,600 s and redox condition close to the NNO +0.8 buffer. These conditions are ideal to reproducing pre- and syn-eruptive conditions of the Campi Flegrei volcanoes, where the "conditions" pertain to the complete range of pressures, temperatures and time at which the experiments were performed. Alkali feldspar is the main phase present in this trachyte, and its abundance can strongly vary with small changes in pressure, temperature and water content in the melt, implying appreciable variations in the textures and in the crystallization kinetics. The obtained results show that crystallization kinetics are strictly related to ΔT, time, final pressure, superheating (- ΔT) and water content in the melt. ΔT is the driving force of the crystallization, and it has a strong influence on nucleation and growth processes. In fact, the growth process dominates crystallization at small ΔT, whereas the nucleation dominates crystallization at large ΔT. Time also is an important variable during crystallization process, because long experiment durations involve more nucleation events of alkali feldspar than short experiment durations. This is an important aspect to understand magma evolution in the magma chamber and in the conduit, which in turn has strong effects on magma rheology.

  13. Crystals in light.

    PubMed

    Kahr, Bart; Freudenthal, John; Gunn, Erica

    2010-05-18

    We have made images of crystals illuminated with polarized light for almost two decades. Early on, we abandoned photosensitive chemicals in favor of digital electrophotometry with all of the attendant advantages of quantitative intensity data. Accurate intensities are a boon because they can be used to analytically discriminate small effects in the presence of larger ones. The change in the form of our data followed camera technology that transformed picture taking the world over. Ironically, exposures in early photographs were presumed to correlate simply with light intensity, raising the hope that photography would replace sensorial interpretation with mechanical objectivity and supplant the art of visual photometry. This was only true in part. Quantitative imaging accurate enough to render the separation of crystalloptical quantities had to await the invention of the solid-state camera. Many pioneers in crystal optics were also major figures in the early history of photography. We draw out the union of optical crystallography and photography because the tree that connects the inventors of photography is a structure unmatched for organizing our work during the past 20 years, not to mention that silver halide crystallites used in chemical photography are among the most consequential "crystals in light", underscoring our title. We emphasize crystals that have acquired optical properties such as linear birefringence, linear dichroism, circular birefringence, and circular dichroism, during growth from solution. Other crystalloptical effects were discovered that are unique to curiously dissymmetric crystals containing embedded oscillators. In the aggregate, dyed crystals constitute a generalization of single crystal matrix isolation. Simple crystals provided kinetic stability to include guests such as proteins or molecules in excited states. Molecular lifetimes were extended for the preparation of laser gain media and for the study of the photodynamics of single

  14. Swimming in a crystal.

    PubMed

    Brown, Aidan T; Vladescu, Ioana D; Dawson, Angela; Vissers, Teun; Schwarz-Linek, Jana; Lintuvuori, Juho S; Poon, Wilson C K

    2016-01-07

    We study catalytic Janus particles and Escherichia coli bacteria swimming in a two-dimensional colloidal crystal. The Janus particles orbit individual colloids and hop between colloids stochastically, with a hopping rate that varies inversely with fuel (hydrogen peroxide) concentration. At high fuel concentration, these orbits are stable for 100s of revolutions, and the orbital speed oscillates periodically as a result of hydrodynamic, and possibly also phoretic, interactions between the swimmer and the six neighbouring colloids. Motile E. coli bacteria behave very differently in the same colloidal crystal: their circular orbits on plain glass are rectified into long, straight runs, because the bacteria are unable to turn corners inside the crystal.

  15. Analysis of Crystallization Kinetics

    NASA Technical Reports Server (NTRS)

    Kelton, Kenneth F.

    1997-01-01

    A realistic computer model for polymorphic crystallization (i.e., initial and final phases with identical compositions), which includes time-dependent nucleation and cluster-size-dependent growth rates, is developed and tested by fits to experimental data. Model calculations are used to assess the validity of two of the more common approaches for the analysis of crystallization data. The effects of particle size on transformation kinetics, important for the crystallization of many systems of limited dimension including thin films, fine powders, and nanoparticles, are examined.

  16. Aluminum Nitride Crystal Growth

    DTIC Science & Technology

    1979-12-01

    UOSR-TR- 80 - 04 2 4EL4- G LEYEL ALUMINUM NITRIDE CRYSTAL GROWTH G.A. Slack FINAL REPORT Contract F49620-78-C-0021 DTIC Period Covered ELECTE I...Laboratory personnel worked on the problem of Aluminum Nitride Heat Sink Crystal Growth for the U.S. Air Force Office of Scientific Research under Contract...Number F44620-76-C-0039. From November 1, 1977 to the present we have worked on Aluminum Nitride and Boron Phosphide Crystal Growth under Contract NUmber

  17. Molecules in crystals

    NASA Astrophysics Data System (ADS)

    Spackman, Mark A.

    2013-04-01

    Hirshfeld surface analysis has developed from the serendipitous discovery of a novel partitioning of the crystal electron density into discrete molecular fragments, to a suite of computational tools used widely for the identification, analysis and discussion of intermolecular interactions in molecular crystals. The relationship between the Hirshfeld surface and very early ideas on the internal structure of crystals is outlined, and applications of Hirshfeld surface analysis are presented for three molecules of historical importance in the development of modern x-ray crystallography: hexamethylbenzene, hexamethylenetetramine and diketopiperazine.

  18. Crystallization on prestructured seeds.

    PubMed

    Jungblut, Swetlana; Dellago, Christoph

    2013-01-01

    The crystallization transition of an undercooled monodisperse Lennard-Jones fluid in the presence of small prestructured seeds is studied with transition path sampling combined with molecular dynamics simulations. Compared to the homogeneous crystallization, clusters of a few particles arranged into a face- and body-centered cubic structure enhance the crystallization, while icosahedrally ordered seeds do not change the reaction rate. We identify two distinct nucleation regimes-close to the seed and in the bulk. Crystallites form close to the face- and body-centered structures and tend to stay away from the icosahedrally ordered seeds.

  19. Single crystals of chitosan.

    PubMed

    Cartier, N; Domard, A; Chanzy, H

    1990-10-01

    Lamellar single crystals of chitosan were prepared at 125 degrees C by adding ammonia to a low DP fraction of chitosan dissolved in water. The crystals gave sharp electron diffraction diagrams which could be indexed in an orthorhombic P2(1)2(1)2(1) unit cell with a = 8.07 A, b = 8.44 A, c = 10.34 A. The unit cell contained two anti-parallel chitosan chains and no water molecules. It was found that cellulose microfibrils from Valonia ventricosa could act as nuclei for inducing the crystallization of chitosan on cellulose. This produced a shish-kebab morphology.

  20. Shaping Crystal-Crystal Phase Transitions

    NASA Astrophysics Data System (ADS)

    Du, Xiyu; van Anders, Greg; Dshemuchadse, Julia; Glotzer, Sharon

    Previous computational and experimental studies have shown self-assembled structure depends strongly on building block shape. New synthesis techniques have led to building blocks with reconfigurable shape and it has been demonstrated that building block reconfiguration can induce bulk structural reconfiguration. However, we do not understand systematically how this transition happens as a function of building block shape. Using a recently developed ``digital alchemy'' framework, we study the thermodynamics of shape-driven crystal-crystal transitions. We find examples of shape-driven bulk reconfiguration that are accompanied by first-order phase transitions, and bulk reconfiguration that occurs without any thermodynamic phase transition. Our results suggest that for well-chosen shapes and structures, there exist facile means of bulk reconfiguration, and that shape-driven bulk reconfiguration provides a viable mechanism for developing functional materials.

  1. Computer Modeling of Crystallization and Crystal Size distributions

    NASA Astrophysics Data System (ADS)

    Amenta, R. V.

    2002-05-01

    The crystal size distribution of an igneous rock has been shown to be related to the crystallization kinetics. In order to better understand crystallization processes, the nucleation and growth of crystals in a closed system is modeled computationally and graphically. Units of volume analogous to unit cells are systematically attached to stationary crystal nuclei. The number of volume units attached to each crystal per growth stage is proportional to the crystal size insuring that crystal dimensional growth rates are constant regardless of their size. The number of new crystal nuclei per total system volume that form in each growth stage increases exponentially Cumulative crystal size distributions (CCSD) are determined for various stages of crystallization (30 percent, 60 pct, etc) from a database generated by the computer model, and each distribution is fit to an exponential function of the same form. Simulation results show that CCSD functions appear to fit the data reasonably well (R-square) with the greatest misfit at 100 pct crystallization. The crystal size distribution at each pct crystallization can be obtained from the derivative of the respective CCSD function. The log form of each crystal size distribution (CSD) is a linear function with negative slope. Results show that the slopes of the CSD functions at pcts crystallization up to 90 pct are parallel, but the slope at 100 pct crystallization differs from the others although still in approximate alignment. We suggest that real crystallization of igneous rocks may show this pattern. In the early stages of crystallization crystals are far apart and CSD's are ideal as predicted by theory based on growth of crystals in a brine. At advanced stages of crystallization growth collision boundaries develop between crystals. As contiguity increases crystals become blocked and inactive because they can no longer grow. As crystallization approaches 100 pct a significant number of inactive crystals exist resulting in

  2. Development of single crystal filaments. Final report

    SciTech Connect

    Milewski, J.V.; Shoultz, R.A.; Bourque-McConnell, M.M.

    1995-04-01

    The program just completed addresses a route to a more efficient longer-lasting electric light bulb filament. All current filaments for light bulbs are metallic in nature. They are subject to embrittlement with age (large grain growth) and relatively high vapor pressures which limits their operating temperature. There is evidence which suggests advantages to using high temperature refractory single crystal fibers as a filament for a light bulb. These refractory materials may include materials such as hafnium or tantalum carbide which have melting points about 500{degrees}C higher than tungsten. Another advantage is that single crystal fibers have a very high degree of crystalline perfection with very few voids and dislocations. Without these imperfections, the atomic mobility at high temperatures is highly restricted. Thus single crystal fibers are very stable at high temperature and will last longer. The efficiencies result from running these single crystal ceramic fiber filaments at higher temperatures and the higher emissivity of the carbide filaments compared to tungsten. The amount of visible light is proportional to the 4the power of the temperature thus a 500{degrees}C higher operating give about a 3-fold increase in radiation in the visible range. The program accomplishments can be summarized as follows: (1) Single crystal fibers of JfC sufficient crystal quality for light bulb filament applications were made. (2) The HfC fiber furnace growth chamber, power control and data collection system was developed for the laboratory scale plant. (3) method for mounting and apparatuses for testing the single crystal fiber filaments were developed and built.

  3. Crystal engineering through halogen bonding

    NASA Astrophysics Data System (ADS)

    Walsh, Rosa Daneen Bailey

    tetraiodoethylene. Organoiodides can also be used to build very interesting layered 'pseudo polyiodides', as well. Traditional coordination polymers consist of a Lewis acid metal center and Lewis base bridging ligands. The shapes that can be made using these coordination polymers include, but are not limited to, chains, ladders, bricks, square or rectangular grids and hexagonal grids. We have been able to build many of these same motifs using a Lewis base iodide center and Lewis acid organoiodide. The diverse structures seen are dependent on factors such as the nature of the cation, the bridging organoiodide, stoichiometry, and the nature of the anion (e.g. I- vs. I3 -). These complexes may exhibit ionic conductivity as well as the possibility of cation exchange. Polymorphism can be a major problem for crystal engineering as it can make prediction of structure very difficult. George Whitesides states "truly rational solid-state design will not be possible until polymorphism is understood and controlled." We have used halogen bonding interactions for interconversion between polymorphic forms of a donor molecule. Polymorphic forms of tetrapyridylpyrazine and acridine, their charge-transfer complexes with iodine, and their interconversion through decomposition of the complexes will be discussed. Through systematic studies of halogen bonding, numerous donors and acceptors have been used to show the structural diversity possible. Our purpose is to define the fundamental structural motifs adopted by these systems. An understanding of these patterns is essential for ongoing crystal engineering projects.

  4. Enzymatically Controlled Vacancies in Nanoparticle Crystals

    SciTech Connect

    Barnaby, Stacey N.; Ross, Michael B.; Thaner, Ryan V.; Lee, Byeongdu; Schatz, George C.; Mirkin, Chad A.

    2016-08-01

    In atomic systems, the mixing of metals results in distinct phase behavior that depends on the identity and bonding characteristics of the atoms. In nanoscale systems, the use of oligonucleotides as programmable “bonds” that link nanoparticle “atoms” into superlattices allows for the decoupling of atom identity and bonding. While much research in atomic systems is dedicated to understanding different phase behavior of mixed metals, it is not well understood on the nanoscale how changes in the nanoscale “bond” affect the phase behavior of nanoparticle crystals. In this work, the identity of the atom is kept the same but the chemical nature of the bond is altered, which is not possible in atomic systems, through the use of DNA and RNA bonding elements. These building blocks assemble into single crystal nanoparticle superlattices with mixed DNA and RNA bonding elements throughout. The nanoparticle crystals can be dynamically changed through the selective and enzymatic hydrolysis of the RNA bonding elements, resulting in superlattices that retain their crystalline structure and habit, while incorporating up to 35% random vacancies generated from the nanoparticles removed. Therefore, the bonding elements of nanoparticle crystals can be enzymatically and selectively addressed without affecting the nature of the atom.

  5. Raman gains of ADP and KDP crystals

    NASA Astrophysics Data System (ADS)

    Zhou, Hai-Liang; Zhang, Qing-Hua; Wang, Bo; Xu, Xin-Guang; Wang, Zheng-Ping; Sun, Xun; Zhang, Fang; Zhang, Li-Song; Liu, Bao-An; Chai, Xiang-Xu

    2015-04-01

    In this paper, the Raman gain coefficients of ammonium dihydrogen phosphate (ADP) and potassium dihydrogen phosphate (KDP) crystals are measured. By using a pump source of a 30-ps, 532-nm laser, the gain coefficients of ADP and KDP are 1.22 cm/GW, and 0.91 cm/GW, respectively. While for a 20-ps, 355-nm pump laser, the gain coefficients of these two crystals are similar, which are 1.95 cm/GW for ADP and 1.86 for KDP. The present results indicate that for ultra-violet frequency conversion, the problem of stimulated Raman scattering for ADP crystal will not be more serious than that for KDP crystal. Considering other advantages such the larger nonlinear optical coefficient, higher laser damage threshold, and lower noncritical phase-matching temperature, it can be anticipated that ADP will be a powerful competitor to KDP in large aperture, high energy third-harmonic generation or fourth-harmonic generation applications. Project supported by the National Natural Science Foundation of China (Grant Nos. 51323002 and 51402173), the Independent Innovation Foundation of Shandong University, China (Grant Nos. IIFSDU and 2012JC016), the Program for New Century Excellent Talents in University, China (Grant No. NCET-10-0552), the Fund from the Key Laboratory of Neutron Physics, China Academy of Engineering Physics (Grant No. 2014BB07), and the Natural Science Foundation for Distinguished Young Scholar of Shandong Province, China (Grant No. JQ201218).

  6. Historical aspects of crystal growth technology

    NASA Astrophysics Data System (ADS)

    Scheel, Hans J.

    2000-04-01

    The father of crystal fabrication technology is A. Verneuil with his flame-fusion growth method 1902. His principles of nucleation and growth control are adapted in most later growth methods from melt. The Czochralski method was essentially developed by Teal, Little and Dash. The multidisciplinary nature of crystal growth and epitaxy technology and the complex multiparameter processes, and also the scaling problem, have impeded the scientific development of this important area. Only recently it was possible to solve the striation problem and to understand the control of epitaxial growth modes for achieving structurally perfect layers of GaAs and high- Tc superconductors with atomically flat surfaces. The formation of crystal growth and epitaxy engineers and scientists as well as centers of excellence are necessary in order to develop crystal and epilayer fabrication technologies required for development of highest-efficiency white light-emitting diodes and photovoltaic solar cells for energy-saving lighting and as alternative source of energy. Also laser-fusion energy and other high technologies have to wait for progress in crystal growth technology.

  7. Symmetric light beam splitting in sillenite crystals

    NASA Astrophysics Data System (ADS)

    Ageyev, E. Yu.; Litvinov, R. V.; Hatkov, N. D.

    2008-11-01

    We theoretically investigate the propagation of a one-dimensional (1D) polarized light beam in cubic photorefractive crystals of 23 symmetry group. Light beam propagation was considered under condition applied to the crystal external electric field for increasing the photorefractive response. Within paraxial approach we obtain the self-consistent system of equations for scalar amplitudes of two optical eigenmodes and the photoinduced space charge field. We have shown that the natural circular and induced by external and internal electric field linear birefringence determine the character of transformation of the spatial structure of the beam. For transverse optical configuration of the crystal sample and length of light waves λ = 633 nm we demonstrate that in a crystal the Gaussian light beam is splitted into two beams. That beams spread symmetrically relative to the normal to the entrance edge of the sample. A feature of this process is the soliton formation in each of that beams. Process of spatial soliton formation is accompanied by scattering of light energy. The solitons cross-size a lot less than the width of the incident Gaussian beam, which was 30 micron in our calculations. Under such conditions soliton eigenmodes is formed in the BS0 and BT0 crystals with non-local photorefractive response.

  8. Ice crystal terminal velocities

    NASA Technical Reports Server (NTRS)

    Heymsfield, A.

    1972-01-01

    Terminal velocities of different ice crystal forms were calculated using the most recent ice crystal drag coefficients, aspect ratios, and densities. The equations derived were primarily for use in calculating precipitation rates by sampling particles with an aircraft in cirrus clouds, and determining particle size in cirrus clouds by Doppler radar. However, the equations are sufficiently general for determining particle terminal velocity at any altitude, and most any crystal type. Two sets of equations were derived. The general equations provide a good estimate of terminal velocities at any altitude. The specific equations are a set of equations for ice crystal terminal velocities at 1000 mb. The calculations are in good agreement with terminal velocity measurements. The results from the present study were also compared to prior calculations by others and seem to give more reasonable results, particularly at higher altitudes.

  9. Ice crystal terminal velocities.

    NASA Technical Reports Server (NTRS)

    Heymsfield, A.

    1972-01-01

    Terminal velocities of different ice crystal forms were calculated, using the most recent ice crystal drag coefficients, aspect ratios, and densities. The equations derived were primarily for use in calculating precipitation rates by sampling particles with an aircraft in cirrus clouds, and determining particle size in cirrus clouds by Doppler radar. However, the equations are sufficiently general for determining particle terminal velocity at any altitude, and almost any crystal type. Two sets of equations were derived. The 'general' equations provide a good estimate of terminal velocities at any altitude. The 'specific' equations are a set of equations for ice crystal terminal velocities at 1000 mb. The calculations are in good agreement with terminal velocity measurements. The results from the present study were also compared to prior calculations by others and seem to give more reasonable results, particularly at higher altitudes.

  10. Crystallization of Silicon Ribbons

    NASA Technical Reports Server (NTRS)

    Leipold, M. H.

    1984-01-01

    Purity constraints for reasonable solar-cell efficiency require that silicon-ribbon growth for photovoltaics occur in a regime in which constitutional supercooling or other compositional effects on the crystallization front are not important. A major consideration in the fundamentals of crystallization is the removal of the latent heat of fusion. The direction of removal, compared with the growth direction, has a major influence on the crystallization rate and the development of localized stresses. The detailed shape of the crystallization front appears to have two forms: that required for dendritic-web growth, and that occurring in all others. After the removal of the latent heat of fusion, the thermal-mechanical behavior of all ribbons appears similar within the constraints of the exothermal gradient. The technological constraints in achieving the required thermal and mechanical conditions vary widely among the growth processes.

  11. Shaping Crystals using Electrophoresis

    NASA Astrophysics Data System (ADS)

    Palacci, Jeremie; Mackiewicz, Kristian

    2016-11-01

    Electrophoresis is size and shape independent as stressed by Morrison in his seminal paper. Here we present an original approach to reshape colloidal crystals using an electric field as a carving tool.

  12. Diffusion in Coulomb crystals.

    PubMed

    Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

    2011-07-01

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

  13. No warmup crystal oscillator

    NASA Technical Reports Server (NTRS)

    Phillips, D. H.

    1982-01-01

    During warmup, crystal oscillators often show a frequency offset as large as 1 part in 10 to the 5th power. If timing information is transferred to the oscillator and then the oscillator is allowed to warmup, a timing error greater than 1 millisecond will occur. For many applications, it is unsuitable to wait for the oscillator to warmup. For medium accuracy timing requirements where overall accuracies in the order of 1 millisecond are required, a no warmup crystal concept was developed. The concept utilizes two crystal oscillator, used sequentially to avoid using a crystal oscillator for timing much higher frequency accuracy once warmed up. The accuracy achieved with practical TCXOs at initial start over a range of temperatures is discussed. A second design utilizing two oven controlled oscillators is also discussed.

  14. Crystallization of supercooled liquids

    NASA Astrophysics Data System (ADS)

    Odagaki, Takashi; Shikuya, Yuuna

    2014-03-01

    We investigate the crystallization process on the basis of the free energy landscape (FEL) approach to non-equilibrium systems. In this approach, the crystallization time is given by the first passage time of the representative point arriving at the crystalline basin in the FEL. We devise an efficient method to obtain the first passage time exploiting a specific boundary condition. Applying this formalism to a model system, we show that the first passage time is determined by two competing effects; one is the difference in the free energy of the initial and the final basins, and the other is the slow relaxation. As the temperature is reduced, the former accelerates the crystallization and the latter retards it. We show that these competing effects give rise to the typical nose-shape form of the time-temperature transformation curve and that the retardation of the crystallization is related to the mean waiting time of the jump motion.

  15. Crystal-Clear Technology.

    ERIC Educational Resources Information Center

    Ondris-Crawford, Renate J.; And Others

    1993-01-01

    Provides diagrams to aid in discussing polymer dispersed liquid crystal (PDLC) technology. Equipped with a knowledge of PDLC, teachers can provide students with insight on how the gap between basic science and technology is bridged. (ZWH)

  16. Diffusion in Coulomb crystals

    SciTech Connect

    Hughto, J.; Schneider, A. S.; Horowitz, C. J.; Berry, D. K.

    2011-07-15

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions ''hop'' in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter {Gamma}=175 to Coulomb parameters up to {Gamma}=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

  17. Nature's Code

    NASA Astrophysics Data System (ADS)

    Hill, Vanessa J.; Rowlands, Peter

    2008-10-01

    We propose that the mathematical structures related to the `universal rewrite system' define a universal process applicable to Nature, which we may describe as `Nature's code'. We draw attention here to such concepts as 4 basic units, 64- and 20-unit structures, symmetry-breaking and 5-fold symmetry, chirality, double 3-dimensionality, the double helix, the Van der Waals force and the harmonic oscillator mechanism, and our explanation of how they necessarily lead to self-aggregation, complexity and emergence in higher-order systems. Biological concepts, such as translation, transcription, replication, the genetic code and the grouping of amino acids appear to be driven by fundamental processes of this kind, and it would seem that the Platonic solids, pentagonal symmetry and Fibonacci numbers have significant roles in organizing `Nature's code'.

  18. Protein Crystal Quality Studies

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Eddie Snell, Post-Doctoral Fellow the National Research Council (NRC) uses a reciprocal space mapping diffractometer for macromolecular crystal quality studies. The diffractometer is used in mapping the structure of macromolecules such as proteins to determine their structure and thus understand how they function with other proteins in the body. This is one of several analytical tools used on proteins crystallized on Earth and in space experiments. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  19. SINGLE CRYSTAL NEUTRON DIFFRACTION.

    SciTech Connect

    KOETZLE,T.F.

    2001-03-13

    Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.

  20. Protein Crystal Quality Studies

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Eddie Snell, Post-Doctoral Fellow the National Research Council (NRC) uses a reciprocal space mapping diffractometer for macromolecular crystal quality studies. The diffractometer is used in mapping the structure of macromolecules such as proteins to determine their structure and thus understand how they function with other proteins in the body. This is one of several analytical tools used on proteins crystallized on Earth and in space experiments. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  1. Ordering in Conformal Crystals

    NASA Astrophysics Data System (ADS)

    Soni, Vishal; Gomez, Leopoldo; Irvine, William

    2014-03-01

    Condensed matter systems commonly undergo ordering processes that are frustrated by geometric constraints. Experiments on interfacial colloidal systems have resulted in several recent insights into the two dimensional ordering of crystalline lattices frustrated by Gaussian curvature. We study the ordering of flat colloidal Wigner crystals immersed in an axially symmetric potential. By relating the resulting inhomogenous structure to a lattice with Gaussian curvature, we investigate the role of topological defects in organizing the conformal crystal-like ground state.

  2. SINGLE CRYSTAL NEUTRON DIFFRACTION.

    SciTech Connect

    KOETZLE,T.F.

    2001-03-13

    Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.

  3. Liquid Crystal Airborne Display

    DTIC Science & Technology

    1977-08-01

    81/2X 11- 10 -9 .8 display using a large advertising alphanimeric ( TCI ) has been added to the front of the optical box used in the F-4 aircraft for HUD...properties over a wide range of tempera - tures, including normal room temperature. What are Liquid Crystals? Liquid crystals have been classified in three...natic fanctions and to present data needed for the semi- automatic and manual control of system functions. Existing aircraft using CRT display

  4. Active cluster crystals

    NASA Astrophysics Data System (ADS)

    Delfau, Jean-Baptiste; López, Cristóbal; Hernández-García, Emilio

    2017-09-01

    We study the appearance and properties of cluster crystals (solids in which the unit cell is occupied by a cluster of particles) in a two-dimensional system of self-propelled active Brownian particles with repulsive interactions. Self-propulsion deforms the clusters by depleting particle density inside, and for large speeds it melts the crystal. Continuous field descriptions at several levels of approximation allow us to identify the relevant physical mechanisms.

  5. Macromolecular Crystal Quality

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Borgstahl, Gloria E. O.; Bellamy, Henry D.; Curreri, Peter A. (Technical Monitor)

    2001-01-01

    There are many ways of judging a good crystal. Which we use depends on the qualities we seek. For gemstones size, clarity and impurity levels (color) are paramount. For the semiconductor industry purity is probably the most important quality. For the structural crystallographer the primary desideratum is the somewhat more subtle concept of internal order. In this chapter we discuss the effect of internal order (or the lack of it) on the crystal's diffraction properties.

  6. Crystal growth of drug materials by spherical crystallization

    NASA Astrophysics Data System (ADS)

    Szabó-Révész, P.; Hasznos-Nezdei, M.; Farkas, B.; Göcző, H.; Pintye-Hódi, K.; Erős, I.

    2002-04-01

    One of the crystal growth processes is the production of crystal agglomerates by spherical crystallization. Agglomerates of drug materials were developed by means of non-typical (magnesium aspartate) and typical (acetylsalicylic acid) spherical crystallization techniques. The growth of particle size and the spherical form of the agglomerates resulted in formation of products with good bulk density, flow, compactibility and cohesivity properties. The crystal agglomerates were developed for direct capsule-filling and tablet-making.

  7. Engineering Crystal Morphology

    NASA Astrophysics Data System (ADS)

    Dandekar, Preshit; Kuvadia, Zubin B.; Doherty, Michael F.

    2013-07-01

    Crystallization is an important separation and particle formation technique in the manufacture of high-value-added products. During crystallization, many physicochemical characteristics of the substance are established. Such characteristics include crystal polymorph, shape and size, chemical purity and stability, reactivity, and electrical and magnetic properties. However, control over the physical form of crystalline materials has remained poor, due mainly to an inadequate understanding of the basic growth and dissolution mechanisms, as well as of the influence of impurities, additives, and solvents on the growth rate of individual crystal faces. Crystal growth is a surface-controlled phenomenon in which solute molecules are incorporated into surface lattice sites to yield the bulk long-range order that characterizes crystalline materials. In this article, we describe some recent advances in crystal morphology engineering, with a special focus on a new mechanistic model for spiral growth. These mechanistic ideas are simple enough that they can be made to work and accurate enough that they are useful.

  8. Phononic crystal diffraction gratings

    NASA Astrophysics Data System (ADS)

    Moiseyenko, Rayisa P.; Herbison, Sarah; Declercq, Nico F.; Laude, Vincent

    2012-02-01

    When a phononic crystal is interrogated by an external source of acoustic waves, there is necessarily a phenomenon of diffraction occurring on the external enclosing surfaces. Indeed, these external surfaces are periodic and the resulting acoustic diffraction grating has a periodicity that depends on the orientation of the phononic crystal. This work presents a combined experimental and theoretical study on the diffraction of bulk ultrasonic waves on the external surfaces of a 2D phononic crystal that consists of a triangular lattice of steel rods in a water matrix. The results of transmission experiments are compared with theoretical band structures obtained with the finite-element method. Angular spectrograms (showing frequency as a function of angle) determined from diffraction experiments are then compared with finite-element simulations of diffraction occurring on the surfaces of the crystal. The experimental results show that the diffraction that occurs on its external surfaces is highly frequency-dependent and has a definite relation with the Bloch modes of the phononic crystal. In particular, a strong influence of the presence of bandgaps and deaf bands on the diffraction efficiency is found. This observation opens perspectives for the design of efficient phononic crystal diffraction gratings.

  9. Natural Radioactivity in Bananas

    NASA Astrophysics Data System (ADS)

    Zagatto, V. A. B.; Medina, N. H.; Okuno, E.; Umisedo, N. K.

    2008-08-01

    The content of 40K natural radionuclide in bananas (Musa sapientum) from the Vale do Ribeira region, São Paulo, Brazil, has been measured. We have collected several samples of bananas prata and nanica, its peels, leaves, and also different soils where the banana tree was planted, such as soil with a standard amount of fertilizer, the fertilizer itself and also soil without fertilizer for comparison. We have used the gamma-ray spectroscopy technique with a NaI(T1) crystal inside a 12 cm thick lead shield to detect the gamma-radiation. The results indicate that only part of the available potassium is absorbed by the plant, which is mainly concentrated in the banana peel.

  10. Natural Radioactivity in Bananas

    SciTech Connect

    Zagatto, V. A. B.; Medina, N. H.; Okuno, E.; Umisedo, N. K.

    2008-08-07

    The content of {sup 40}K natural radionuclide in bananas (Musa sapientum) from the Vale do Ribeira region, Sao Paulo, Brazil, has been measured. We have collected several samples of bananas prata and nanica, its peels, leaves, and also different soils where the banana tree was planted, such as soil with a standard amount of fertilizer, the fertilizer itself and also soil without fertilizer for comparison. We have used the gamma-ray spectroscopy technique with a NaI(T1) crystal inside a 12 cm thick lead shield to detect the gamma-radiation. The results indicate that only part of the available potassium is absorbed by the plant, which is mainly concentrated in the banana peel.

  11. The Crystallization of Monosodium Urate

    PubMed Central

    Martillo, Miguel A.; Nazzal, Lama; Crittenden, Daria B.

    2014-01-01

    Gout is a common crystal-induced arthritis, in which monosodium urate (MSU) crystals precipitate within joints and soft tissues and elicit an inflammatory response. The causes of elevated serum urate and the inflammatory pathways activated by MSU crystals have been well studied, but less is known about the processes leading to crystal formation and growth. Uric acid, the final product of purine metabolism, is a weak acid that circulates as the deprotonated urate anion under physiologic conditions, and combines with sodium ions to form MSU. MSU crystals are known to have a triclinic structure, in which stacked sheets of purine rings form the needle-shaped crystals that are observed microscopically. Exposed, charged crystal surfaces are thought to allow for interaction with phospholipid membranes and serum factors, playing a role in the crystal-mediated inflammatory response. While hyperuricemia is a clear risk factor for gout, local factors have been hypothesized to play a role in crystal formation, such as temperature, pH, mechanical stress, cartilage components, and other synovial and serum factors. Interestingly, several studies suggest that MSU crystals may drive the generation of crystal-specific antibodies that facilitate future MSU crystallization. Here, we review MSU crystal biology, including a discussion of crystal structure, effector function, and factors thought to play a role in crystal formation. We also briefly compare MSU biology to that of uric acid stones causing nephrolithasis, and consider the potential treatment implications of MSU crystal biology. PMID:24357445

  12. Crystal growth of artificial snow

    NASA Technical Reports Server (NTRS)

    Kimura, S.; Oka, A.; Taki, M.; Kuwano, R.; Ono, H.; Nagura, R.; Narimatsu, Y.; Tanii, J.; Kamimiytat, Y.

    1984-01-01

    Snow crystals were grown onboard the space shuttle during STS-7 and STS-8 to facilitate the investigation of crystal growth under conditions of weightlessness. The experimental design and hardware are described. Space-grown snow crystals were polyhedrons looking like spheres, which were unlike snow crystals produced in experiments on Earth.

  13. High-throughput crystallization screening.

    PubMed

    Skarina, Tatiana; Xu, Xiaohui; Evdokimova, Elena; Savchenko, Alexei

    2014-01-01

    Protein structure determination by X-ray crystallography is dependent on obtaining a single protein crystal suitable for diffraction data collection. Due to this requirement, protein crystallization represents a key step in protein structure determination. The conditions for protein crystallization have to be determined empirically for each protein, making this step also a bottleneck in the structure determination process. Typical protein crystallization practice involves parallel setup and monitoring of a considerable number of individual protein crystallization experiments (also called crystallization trials). In these trials the aliquots of purified protein are mixed with a range of solutions composed of a precipitating agent, buffer, and sometimes an additive that have been previously successful in prompting protein crystallization. The individual chemical conditions in which a particular protein shows signs of crystallization are used as a starting point for further crystallization experiments. The goal is optimizing the formation of individual protein crystals of sufficient size and quality to make them suitable for diffraction data collection. Thus the composition of the primary crystallization screen is critical for successful crystallization.Systematic analysis of crystallization experiments carried out on several hundred proteins as part of large-scale structural genomics efforts allowed the optimization of the protein crystallization protocol and identification of a minimal set of 96 crystallization solutions (the "TRAP" screen) that, in our experience, led to crystallization of the maximum number of proteins.

  14. Liquid crystal interfaces: Experiments, simulations and biosensors

    NASA Astrophysics Data System (ADS)

    Popov, Piotr

    Interfacial phenomena are ubiquitous and extremely important in various aspects of biological and industrial processes. For example, many liquid crystal applications start by alignment with a surface. The underlying mechanisms of the molecular organization of liquid crystals at an interface are still under intensive study and continue to be important to the display industry in order to develop better and/or new display technology. My dissertation research has been devoted to studying how complex liquid crystals can be guided to organize at an interface, and to using my findings to develop practical applications. Specifically, I have been working on developing biosensors using liquid-crystal/surfactant/lipid/protein interactions as well as the alignment of low-symmetry liquid crystals for potential new display and optomechanical applications. The biotechnology industry needs better ways of sensing biomaterials and identifying various nanoscale events at biological interfaces and in aqueous solutions. Sensors in which the recognition material is a liquid crystal naturally connects the existing knowledge and experience of the display and biotechnology industries together with surface and soft matter sciences. This dissertation thus mainly focuses on the delicate phenomena that happen at liquid interfaces. In the introduction, I start by defining the interface and discuss its structure and the relevant interfacial forces. I then introduce the general characteristics of biosensors and, in particular, describe the design of biosensors that employ liquid crystal/aqueous solution interfaces. I further describe the basic properties of liquid crystal materials that are relevant for liquid crystal-based biosensing applications. In CHAPTER 2, I describe the simulation methods and experimental techniques used in this dissertation. In CHAPTER 3 and CHAPTER 4, I present my computer simulation work. CHAPTER 3 presents insight of how liquid crystal molecules are aligned by

  15. Synthesis, growth and characterisations of semi-organic nonlinear optical crystal glycine barium nitrate (GBN)

    NASA Astrophysics Data System (ADS)

    Varalakshmi, S.; Ravi Kumar, S. M.; Elango, G.; Ravisankar, R.

    2014-12-01

    Transparent crystal of glycine barium nitrate (GBN) has been grown from aqueous solution by slow evaporation technique at room temperature. Powder XRD study reveals the crystalline nature of the grown sample. Single crystal XRD study shows that the GBN belongs to orthorhombic crystal system. FTIR spectral study confirms the presence of the functional groups in the grown crystal. The presence of wide transparency window in the UV-visible region makes GBN crystal suitable for opto-electronic device applications. The grown sample has SHG efficiency is 0.8 times that of standard KDP crystal. Dielectric studies reveal that both dielectric constant and dielectric loss decreases with increase in frequency. Photoconductivity study confirms the negative photoconducting nature of the crystal.

  16. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes

    PubMed Central

    Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.

    2017-01-01

    A dramatic effect of crystal morphology, photoreactivity and photosalient property is observed in a zinc(II) complex due to solvent effects and fluorine substitution at the backbone of the ligand. Of the two crystal forms with a 3-fluoro derivative, one yielded a curved morphology of single crystals and the second form shows photoreactivity in the solid state, whereas crystals of the 2-fluoro derivative pop during the [2 + 2] photocycloaddition reaction. This is the first report documenting curved single crystals of metal complexes obtained naturally during crystallization, although such bent crystals have been observed in extended solids naturally, or bent by mechanical force or by UV irradiation. PMID:28250942

  17. Synthesis, growth and characterisations of semi-organic nonlinear optical crystal glycine barium nitrate (GBN).

    PubMed

    Varalakshmi, S; Ravi Kumar, S M; Elango, G; Ravisankar, R

    2014-12-10

    Transparent crystal of glycine barium nitrate (GBN) has been grown from aqueous solution by slow evaporation technique at room temperature. Powder XRD study reveals the crystalline nature of the grown sample. Single crystal XRD study shows that the GBN belongs to orthorhombic crystal system. FTIR spectral study confirms the presence of the functional groups in the grown crystal. The presence of wide transparency window in the UV-visible region makes GBN crystal suitable for opto-electronic device applications. The grown sample has SHG efficiency is 0.8 times that of standard KDP crystal. Dielectric studies reveal that both dielectric constant and dielectric loss decreases with increase in frequency. Photoconductivity study confirms the negative photoconducting nature of the crystal.

  18. An assessment of calcite crystal growth mechanisms based on crystal size distributions

    USGS Publications Warehouse

    Kile, D.E.; Eberl, D.D.; Hoch, A.R.; Reddy, M.M.

    2000-01-01

    was established and maintained during the constant-composition experiments. CSDs having shapes intermediate between lognormal and Ostwald also were generated by varying the initial levels of supersaturation (initial Ω = 28.2 to 69.2) in rapidly mixed solutions. Lognormal CSDs were observed for natural calcite crystals that are found in septarian concretions occurring in southeastern Colorado. Based on the model described above, these CSDs indicate initial growth by surface control, followed by supply-controlled growth. Thus, CSDs may be used to deduce crystal growth mechanisms from which geologic conditions early in the growth history of a mineral can be inferred. Conversely, CSD shape can be predicted during industrial crystallization by applying the appropriate conditions for a particular growth mechanism.

  19. Nature's Palette

    ERIC Educational Resources Information Center

    McBride, Brooke B.; Brewer, Carol A.

    2010-01-01

    Flower petals, acorn hats, exoskeletons of beetles, and lichens are just a few of the objects students may find in a surprising array of vivid colors. These tiny examples from nature's palette can be discovered in a school yard, a park, or even along the edges of a paved sidewalk...it simply takes careful observation! This article describes a…

  20. Natural fibers

    Treesearch

    Craig M. Clemons; Daniel F. Caulfield

    2005-01-01

    The term “natural fibers” covers a broad range of vegetable, animal, and mineral fibers. However, in the composites industry, it usually refers to wood fiber and agrobased bast, leaf, seed, and stem fibers. These fibers often contribute greatly to the structural performance of the plant and, when used in plastic composites, can provide significant reinforcement. Below...