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Sample records for monoclinic kywo42 single

  1. Anisotropy, phonon modes, and free charge carrier parameters in monoclinic β -gallium oxide single crystals

    NASA Astrophysics Data System (ADS)

    Schubert, M.; Korlacki, R.; Knight, S.; Hofmann, T.; Schöche, S.; Darakchieva, V.; Janzén, E.; Monemar, B.; Gogova, D.; Thieu, Q.-T.; Togashi, R.; Murakami, H.; Kumagai, Y.; Goto, K.; Kuramata, A.; Yamakoshi, S.; Higashiwaki, M.

    2016-03-01

    We derive a dielectric function tensor model approach to render the optical response of monoclinic and triclinic symmetry materials with multiple uncoupled infrared and far-infrared active modes. We apply our model approach to monoclinic β -Ga2O3 single-crystal samples. Surfaces cut under different angles from a bulk crystal, (010) and (2 ¯01 ), are investigated by generalized spectroscopic ellipsometry within infrared and far-infrared spectral regions. We determine the frequency dependence of 4 independent β -Ga2O3 Cartesian dielectric function tensor elements by matching large sets of experimental data using a point-by-point data inversion approach. From matching our monoclinic model to the obtained 4 dielectric function tensor components, we determine all infrared and far-infrared active transverse optic phonon modes with Au and Bu symmetry, and their eigenvectors within the monoclinic lattice. We find excellent agreement between our model results and results of density functional theory calculations. We derive and discuss the frequencies of longitudinal optical phonons in β -Ga2O3 . We derive and report density and anisotropic mobility parameters of the free charge carriers within the tin-doped crystals. We discuss the occurrence of longitudinal phonon plasmon coupled modes in β -Ga2O3 and provide their frequencies and eigenvectors. We also discuss and present monoclinic dielectric constants for static electric fields and frequencies above the reststrahlen range, and we provide a generalization of the Lyddane-Sachs-Teller relation for monoclinic lattices with infrared and far-infrared active modes. We find that the generalized Lyddane-Sachs-Teller relation is fulfilled excellently for β -Ga2O3 .

  2. Spectroscopic refractive indices of monoclinic single crystal and ceramic Lutetium oxyorthosilicate (LSO) from 200 to 850 nm

    SciTech Connect

    Jellison Jr, Gerald Earle; Specht, Eliot D; Boatner, Lynn A; Singh, David J; Melcher, Charles L

    2012-01-01

    The four real values of the dielectric function tensor of the monoclinic crystal Lu2SiO5 or lutetium oxyorthosilicate (LSO) have been determined using generalized ellipsometry from 200 to 850 nm. The three principal values are fit to the Sellmeier model, and they indicate that the band gap of LSO is less than ~9 eV. The off-diagonal element 12 is non-zero over the entire spectrum, but it is very close to zero for wavelengths longer than ~400 nm, indicating that structurally monoclinic LSO is nearly optically orthorhombic in this wavelength region. The spectroscopic dielectric functions of three isotropic ceramic LSO samples are presented, which are consistent with the dielectric functions of single-crystal LSO when the effects of porosity are included. As a comparison, the dielectric functions are also determined using relativistic electronic structure and optical calculations based on the recently developed potential functional of Tran and Blaha (Phys. Rev. Lett. 102, 226401 (2009).)

  3. Novel high pressure monoclinic Fe2O3 polymorph revealed by single-crystal synchrotron X-ray diffraction studies

    NASA Astrophysics Data System (ADS)

    Bykova, Elena; Bykov, Maxim; Prakapenka, Vitali; Konôpková, Zuzana; Liermann, Hanns-Peter; Dubrovinskaia, Natalia; Dubrovinsky, Leonid

    2013-08-01

    A novel high pressure polymorph of iron sesquioxide, m-Fe2O3, has been identified by means of single-crystal synchrotron X-ray diffraction (XRD). Upon compression of a single crystal of hematite, α-Fe2O3, in a diamond anvil cell, the transition occurs at pressure of about 54 GPa and results in ∼10% volume reduction. The crystal structure of the new phase was solved by the direct method (monoclinic space group P21/n, a=4.588(3), b=4.945(2), c=6.679(7) Å and β=91.31(9)°) and refined to R1 ∼11%. It belongs to the cryolite double-perovskite structure type and consists of corner-linked FeO6 octahedra and FeO6 trigonal prisms filling the free space between the octahedra. Upon compression up to ∼71 GPa at ambient temperature no further phase transitions were observed. Laser heating to ∼ 2100±100 K promotes a transition to the Cmcm CaIrO3-type (post-perovskite (PPv)) phase. The PPv-Fe2O3 crystal structure was refined by means of single-crystal XRD at ∼65 GPa. On decompression the PPv-Fe2O3 phase fully transforms back to hematite at pressures between ∼25 and 15 GPa.

  4. Photosensitive structures based on ZnP{sub 2} single crystals of monoclinic and tetragonal modifications: Fabrication and properties

    SciTech Connect

    Rud, V. Yu. Rud, Yu. V.; Vaipolin, A. A.; Bodnar, I. V.; Osipiva, M. A.; Ushakova, T. N.

    2009-07-15

    The method of gas-phase resublimation is used to grow the single-crystals of monoclinic and tetragonal modifications whose composition are identical and corresponds to the ZnP{sub 2} stoichiometry. The crystal-lattice parameters are determined and natural facets of the crystals of both modifications are identified. The obtained single crystals were used to fabricate for the first time the Schottky barriers and welded point structures; the latter exhibited rectification and the photovoltaic effect. On the basis of the first studies of photosensitivity of obtained structures subjected to the natural and linearly polarized radiation, the character of interband transitions is suggested, the values of the band gap are determined, and the influence of the position ordering of atoms on the structures' properties is observed. The phenomenon of natural photopleochroism observed in the structures based on oriented ZnP{sub 2} single crystals were studied. It is concluded that it is possible to use the zinc diphosphide in photoconversion of the intensity and polarization of optical radiation.

  5. Magnetic characterization of non-ideal single-domain monoclinic pyrrhotite and its demagnetization under hydrostatic pressure up to 2 GPa with implications for impact demagnetization

    NASA Astrophysics Data System (ADS)

    Bezaeva, Natalia S.; Chareev, Dmitriy A.; Rochette, Pierre; Kars, Myriam; Gattacceca, Jérôme; Feinberg, Joshua M.; Sadykov, Ravil A.; Kuzina, Dilyara M.; Axenov, Sergey N.

    2016-08-01

    Here we present a comprehensive magnetic characterization of synthesized non-ideal single-domain (SD) monoclinic pyrrhotite (Fe7S8). The samples were in the form of a powder and a powder dispersed in epoxy. "Non-ideal" refers to a powder fraction of predominantly SD size with a minor contribution of small pseudo-single-domain grains; such non-ideal SD pyrrhotite was found to be a remanence carrier in several types of meteorites (carbonaceous chondrites, SNC…), which justifies the usage of synthetic compositions as analogous to natural samples. Data were collected from 5 to 633 K and include low-field magnetic susceptibility (χ0), thermomagnetic curves, major hysteresis loops, back-field remanence demagnetization curves, first-order reversal curves (FORCs), alternating field and pressure demagnetization of saturation isothermal remanent magnetization (SIRM), low temperature data (such as zero-field-cooled and field-cooled remanence datasets together with room temperature SIRM cooling-warming cycles) as well as XRD and Mössbauer spectra. The characteristic Besnus transition is observed at ∼33 K. FORC diagrams indicate interacting SD grains. The application of hydrostatic pressure up to 2 GPa using nonmagnetic high-pressure cells resulted in the demagnetization of the sample by 32-38%. Repeated cycling from 1.8 GPa to atmospheric pressure and back resulted in a total remanence decrease of 44% (after 3 cycles). Pressure demagnetization experiments have important implications for meteorite paleomagnetism and suggest that some published paleointensities of meteorites with non-ideal SD monoclinic pyrrhotite as remanence carrier may be lower limits because shock demagnetization was not accounted for.

  6. Monoclinic Cu2Se3Sn.

    PubMed

    Gulay, L D; Daszkiewicz, M; Ostapyuk, T A; Klymovych, O S; Zmiy, O F

    2010-05-01

    A previously unknown modification of dicopper(I) triselenostannate(IV), Cu(2)Se(3)Sn, has been obtained from the Cu(2)Se-SnSe(2) quasi-binary system and investigated using X-ray single-crystal diffraction. The Se atoms are stacked in a closest-packed arrangement with the layers in the sequence ABC. The Cu atoms occupy one-third of the tetrahedral interstices, whereas the Sn atoms are located in one-sixth of the tetrahedral interstices. All the atoms occupy general positions. The structure possesses pseudo-inversion symmetry. The Cu(2)Se(3)Sn structure investigated in this paper (96 atoms per unit cell, ordered distribution of Cu and Sn over 12 cation positions) is a superstructure of the reported cubic (eight atoms per unit cell, random distribution of Cu and Sn over one cation position) and monoclinic (24 atoms per unit cell, ordered distribution of Cu and Sn over three cation positions) modifications. PMID:20442500

  7. Protonated Forms of Monoclinic Zirconia: A Theoretical Study

    SciTech Connect

    Mantz, Yves A.; Gemmen, Randall S.

    2010-05-06

    In various materials applications of zirconia, protonated forms of monoclinic zirconia may be formed, motivating their study within the framework of density-functional theory. Using the HCTH/120 exchange-correlation functional, the equations of state of yttria and of the three low-pressure zirconia polymorphs are computed, to verify our approach. Next, the favored charge state of a hydrogen atom in monoclinic zirconia is shown to be positive for all Fermilevel energies in the band gap, by the computation of defect formation energies.This result is consistent with a single previous theoretical prediction at midgap as well as muonium spectroscopy experiments. For the formally positively (+1e) charged system of a proton in monoclinic zirconia (with a homogeneous neutralizing background charge densityimplicitly included), modeled using up to a 3 x 3 x 3 arrangement of unit cells, different stable and metastable structures are identified. They are similar to those structures previously proposed for the neutral system of hydrogen-doedmonoclinic zirconia, at a similar level of theory. As predicted using the HCTH/120 functional, the lowest energy structure of the proton bonded to one of the two available oxygen atom types, O1, is favored by 0.39 eV compared to that of the proton bonded to O2. The rate of proton transfer between O1 ions is slower than that for hydrogen-dopedmonoclinic zirconia, whose transition-state structures may be lowered in energy by the extra electron.

  8. A nearly pure monoclinic nanocrystalline zirconia

    SciTech Connect

    Guo Gongyi . E-mail: guo_gongyi@hotmail.com; Chen Yuli

    2005-05-15

    Generally, monoclinic zirconia is considered to be much more difficult to prepare at low temperatures and particularly in a pure state. The present work is the first example that shows that the hydrous zirconia formed by precipitation can yield a nearly pure nanocrystalline monoclinic zirconia at a temperature as low as 320 deg. C. The crystallite size of the monoclinic zirconia produced in the present work is around 15nm, and it does not change appreciably as calcination temperature is increased from 320 to or above 400 deg. C. Such a small monoclinic crystallite arises from some of the chemical and physical factors built into the solution-gelation-xerogel process such as acidic preparation-pH, rapid precipitation, and moderate aging time and drying temperature, which result in a structure different from those of the existing zirconium hydroxides. In addition, the hydrous zirconia exhibits a unique thermal behavior in two respects: first, a sudden weight drop in the region of exothermic peak of the thermogravimetric curve is seen, suggesting that the main decomposition of the hydrous zirconia occurs in this region; second, there is an endothermic peak at high temperature in the differential thermal analysis curve, indicating the presence of coordinated water in the hydrous zirconia.

  9. Phase field modeling of tetragonal to monoclinic phase transformation in zirconia

    NASA Astrophysics Data System (ADS)

    Mamivand, Mahmood

    Zirconia based ceramics are strong, hard, inert, and smooth, with low thermal conductivity and good biocompatibility. Such properties made zirconia ceramics an ideal material for different applications form thermal barrier coatings (TBCs) to biomedicine applications like femoral implants and dental bridges. However, this unusual versatility of excellent properties would be mediated by the metastable tetragonal (or cubic) transformation to the stable monoclinic phase after a certain exposure at service temperatures. This transformation from tetragonal to monoclinic, known as LTD (low temperature degradation) in biomedical application, proceeds by propagation of martensite, which corresponds to transformation twinning. As such, tetragonal to monoclinic transformation is highly sensitive to mechanical and chemomechanical stresses. It is known in fact that this transformation is the source of the fracture toughening in stabilized zirconia as it occurs at the stress concentration regions ahead of the crack tip. This dissertation is an attempt to provide a kinetic-based model for tetragonal to monoclinic transformation in zirconia. We used the phase field technique to capture the temporal and spatial evolution of monoclinic phase. In addition to morphological patterns, we were able to calculate the developed internal stresses during tetragonal to monoclinic transformation. The model was started form the two dimensional single crystal then was expanded to the two dimensional polycrystalline and finally to the three dimensional single crystal. The model is able to predict the most physical properties associated with tetragonal to monoclinic transformation in zirconia including: morphological patterns, transformation toughening, shape memory effect, pseudoelasticity, surface uplift, and variants impingement. The model was benched marked with several experimental works. The good agreements between simulation results and experimental data, make the model a reliable tool for

  10. Effective property of tooth enamel: monoclinic behavior.

    PubMed

    Lu, Cunyou; Nakamura, Toshio; Korach, Chad S

    2012-05-11

    Human tooth enamel possesses a unique morphology characterized by a repeated cell arrangement, which is composed of varying orientations of hydroxyapatite crystals. In the past, various investigators have reported diverse mechanical properties based on isotropic or orthotropic mechanical models in their experimental and numerical studies. However, these models are insufficient to capture the accurate microstructural effects on the enamel mechanical response. In this paper, a monoclinic anisotropic model, which offers correct descriptions of enamel deformation behaviors, is introduced. The model takes into account the 3D orientation changes of the hydroxyapatite crystals and their spatial elastic property variations. The proposed approach is based on a unit-cell and periodic boundary conditions, and it utilizes the collective deformation characteristics of many rods to determine 13 independent material constants required for the monoclinic model. These constants are necessary to utilize the effective property model to study various mechanical conditions such as abrasion, erosion, wear and fracture of whole tooth enamel. PMID:22405497

  11. Nonlinear optical characterizations of monoclinic LaxGd1-xCa4O(BO3)3 (x = 1, 0.09, 0.13) single crystals

    NASA Astrophysics Data System (ADS)

    Liu, Y. Q.; Yu, F. P.; Lu, Q. M.; Yu, X. Q.; Wang, Z. P.; Zhao, X.; Xu, X. G.

    2015-01-01

    The 1064 nm optimal spatial phase matching (PM) direction for LaCa4O(BO3)3 (LaCOB) crystals was found to be (113.5°, 43.8°) with deff of 1.34 pm V-1, angular acceptance of 0.9 mrad cm and walk-off angle of 14.9 mrad, and more than a 56% second-harmonic generation (SHG) conversion efficiency was realized on a sample (4  ×  4 × 6 mm3) cut in this direction, by using a 1064 nm Nd : YAG pico-second laser. The angular noncritical phase-matching (A-NCPM) wavelengths along the y and z axes for LaxGd1-xCOB (x = 0.09, 0.13) crystals were measured. Using a nanosecond laser, the type-I single-pass A-NCPM SHG conversion efficiency along y axis reached 30.2% by taking advantage of the longer crystal sample (4  ×  4 × 27 mm3).

  12. Dielectric relaxation in monoclinic hydroxyapatite: Observation of hydroxide ion dipoles

    NASA Astrophysics Data System (ADS)

    Horiuchi, N.; Wada, N.; Nozaki, K.; Nakamura, M.; Nagai, A.; Yamashita, K.

    2016-02-01

    We prepared monoclinic hydroxyapatite (HAp) ceramics and measured their dielectric properties. The dielectric dispersion that was observed in the monoclinic HAp consisted of two different relaxations and could be expressed by a summation of two Debye-like relaxations. One relaxation was ascribed to the reorientational motions of OH- ions. The temperature dependence of the relaxation time obeyed the Arrhenius equation. The relaxation time decreased with temperature but decreased discontinuously at 483 K, the monoclinic-hexagonal phase transition temperature of HAp. Correspondingly, the activation energy changed from 0.74 eV for the monoclinic phase to 0.43 eV for the hexagonal phase. The results suggest that the mobility of the OH- ions increases discontinuously with the phase transition to hexagonal HAp. However, critical phenomena, such as critical slowing down, were not observed.

  13. Monoclinic deformation of calcite crystals at ambient conditions

    NASA Astrophysics Data System (ADS)

    Przeniosło, R.; Fabrykiewicz, P.; Sosnowska, I.

    2016-09-01

    High resolution synchrotron radiation powder diffraction shows that the average crystal structure of calcite at ambient conditions is described with the trigonal space group R 3 bar c but there is a systematic hkl-dependent Bragg peak broadening. A modelling of this anisotropic peak broadening with the microstrain model from Stephens (1999) [15] is presented. The observed lattice parameters' correlations can be described by assuming a monoclinic-type deformation of calcite crystallites. A quantitative model of this monoclinic deformation observed at ambient conditions is described with the space group C 2 / c . The monoclinic unit cell suggested at ambient conditions is related with the monoclinic unit cell reported in calcite at high pressure (Merrill and Bassett (1975) [10]).

  14. Monoclinic phases arising across thermal inter-ferroelectric phase transitions

    NASA Astrophysics Data System (ADS)

    Gu, Yijia; Xue, Fei; Lei, Shiming; Lummen, Tom T. A.; Wang, Jianjun; Gopalan, Venkatraman; Chen, Long-Qing

    2014-07-01

    Thermotropic phase boundaries (TPBs), as thermal analogs of morphotropic phase boundaries (MPBs), are associated with the thermal inter-ferroelectric phase transitions. Similar to an MPB, a TPB exhibits a characteristically flattened energy profile which favors polarization rotation, thus giving rise to a structurally bridging low-symmetry phase. We report on the kinetic process of thermal inter-ferroelectric phase transitions in BaTiO3 and KNbO3 using the phase-field method. The domain structures are found to play key roles in stabilizing the monoclinic phase. In simple domain structures, the monoclinic phase is a transient phase and cannot be stabilized into its neighboring phase regimes. However, by introducing structural inhomogeneity (orthogonal in-plane domain twins), we found that the monoclinic phase can be stabilized over a range of over 100 K across the transition. As a result, the piezoelectric properties are enhanced due to the stabilized monoclinic phase. In addition to the emergence of new piezoelectric components with monoclinic symmetry, most of the original components present in the tetragonal symmetry also show substantial enhancement with the rotation of polarization.

  15. Near coincidence site lattice misorientations in monoclinic zirconia

    SciTech Connect

    Gertsman, V.Y.; Zhilyaev, A.P.; Szpunar, J.

    1996-12-01

    Zirconium dioxide, ZrO{sub 2}, exists in three crystalline phases: monoclinic, tetragonal, and cubic. Calculations of the coincidence site lattice (CSL) misorientations for the last two lattices and for hexagonal ones using the methods developed represent little difficulty. However, no procedure for the determination of the CSL misorientations in the monoclinic system has been reported so far. Monoclinic zirconia has the crystallographic space group P2{sub 1}/c and the following parameters of the unit cell (e.g., 5, 6): a = 5.1490 {angstrom}, b = 5.2133 {angstrom}, c = 5.3161 {angstrom}, and {beta} = 99.228{degree}. Before discussing possible CSL misorientations in zirconia, consider a simple example based on geometric considerations. In any monoclinic crystal (with any lattice parameters) the two symmetrical boundaries along the (001) and (100) planes must have highly ordered atomic structure. The misorientation of the first boundary is descried as a rotation of either 180{degree} around the [100] direction or 180{degree} around the normal to the (001) plane. The misorientation of the second boundary is 180{degree} [001] or 180{degree} around the normal to the (100) plane. It can be shown that three-dimensional CSLs will exist in both cases if (c/a)cos{beta} is a rational number. This example justifies the following approximation of the unit cell in the monoclinic zirconia: a = b = c and cos{beta} = {minus}1/6 (i.e., {beta} = 99.594{degree}). Consider the following prismatic cell in the monoclinic crystal structure: ([1 0 1], [{bar 1} 0 1], [0 1 0]). With the above approximation, this cell is orthogonal with the ratios of the squares of the edge lengths expressed as 5:7:3. Therefore, one can apply the algorithm for calculations of the CSL misorientations in orthorhombic lattices with rational ratios of squares of the lattice periods, which is based on the general vector-quaternion method of misorientation representation.

  16. Low temperature synthesis of high purity monoclinic celsian using topaz

    SciTech Connect

    Talmy, I.G.; Haught, D.A.

    1991-02-19

    This patent describes a process for preparing monoclinic BaO {center dot} Al{sub 2}O{sub 3} {center dot} 2SiO{sub 2}. It comprises: forming an intimate reaction mixture of powders of topaz and BaCO{sub 3} wherein the molar ratio of topaz to BaCO{sub 3} is from 2:1 to 4:1; and heating the reaction mixture to initiate a celsian formation reaction, in an atmosphere of gases generated by the celsian formation reaction, at a temperature in the range of from 900{degrees} C. to less than 1590{degrees} C. until the monoclinic celsian is produced.

  17. Different structures of monoclinic martensitic phases in titanium nickelide

    NASA Astrophysics Data System (ADS)

    Voronin, V. I.; Naish, V. E.; Novoselova, T. V.; Pushin, V. G.; Sagaradze, I. V.

    2000-03-01

    The detailed theoretical and experimental analysis has been undertaken to bring to light the true structure of the monoclinic phase in titanium nickelide (NiTi). Theoretical models for such a phase have been proposed to describe the experimental data. In addition to the well-known B19‧ phase two more structures - new monoclinic M phase with Cm space group and triclinic phase with P1 space group - have been produced and analyzed in detail. Diffraction patterns have been obtained from different NiTi samples by using the neutron diffractometer IVV2 at different temperatures. From the refinement by DBWS-9411 program all these neutron patterns have been decoded successfully. The proposed new structures and stereotype B19‧ one agree with correspondent experimental data and the agreement is quite good.

  18. Phonon anharmonicity of monoclinic zirconia and yttrium-stabilized zirconia

    DOE PAGESBeta

    Li, Chen W.; Smith, Hillary L.; Lan, Tian; Niedziela, Jennifer L.; Munoz, Jorge A.; Keith, J. Brian; Mauger, L.; Abernathy, Douglas L; Fultz, B.

    2015-04-13

    Inelastic neutron scattering measurements on monoclinic zirconia (ZrO2) and 8 mol% yttrium-stabilized zirconia were performed at temperatures from 300 to 1373 ωK. We reported temperature-dependent phonon densities of states (DOS) and Raman spectra obtained at elevated temperatures. First-principles lattice dynamics calculations with density functional theory gave total and partial phonon DOS curves and mode Grüneisen parameters. These mode Grüneisen parameters were used to predict the experimental temperature dependence of the phonon DOS with partial success. However, substantial anharmonicity was found at elevated temperatures, especially for phonon modes dominated by the motions of oxygen atoms. Yttrium-stabilized zirconia (YSZ) was somewhat moremore » anharmonic and had a broader phonon spectrum at low temperatures, owing in part to defects in its structure. YSZ also has a larger vibrational entropy than monoclinic zirconia.« less

  19. Sonocrystallization yields monoclinic paracetamol with significantly improved compaction behavior.

    PubMed

    Bučar, Dejan-Krešimir; Elliott, James A; Eddleston, Mark D; Cockcroft, Jeremy K; Jones, William

    2015-01-01

    Ultrasound-assisted crystallization (sonocrystallization) was used to prepare a mixture of nano- and micrometer-sized crystals of the monoclinic form of paracetamol-a widely used analgesic known for its particularly problematic mechanical behavior under compression (i.e. poor tabletability). The nano- and micrometer-sized crystals yielded a powder which exhibits elastic moduli and bulk cohesions that are significantly higher than those observed in samples consisting of macrometer-sized crystals, thus leading to enhanced tabletability without the use of excipients, particle coating, salt, or cocrystal formation. Experimental compaction and finite element analysis were utilized to rationalize the significantly improved compaction behavior of the monoclinic form of paracetamol. PMID:25370777

  20. Alpha decay self-damage in cubic and monoclinic zirconolite

    SciTech Connect

    Clinard, F.W. Jr.; Land, C.C.; Peterson, D.E.; Rohr, D.L.; Roof, R.B.

    1981-01-01

    Samples of primarily-monoclinic /sup 238/Pu-doped zirconolite were stored at ambient temperature to allow accumulation of alpha decay self-damage to a dose of 1 x 10/sup 24/ ..cap alpha../m/sup 3/ (equivalent to a SYNROC age of approx. 10/sup 3/y). Bulk swelling reached 2.3 vol% with no tendency toward saturation, a damage response similar to that observed for cubic Pu-doped zirconolite. X-ray volumetric swelling at 4 x 10/sup 24/ ..cap alpha../m/sup 3/ was 1 vol%, considerably less than that for the cubic material. Changes in cell dimensions differed significantly from those reported by others for a monoclinic natural mineral. Extensive microcracking was observed, and is attributed at least partially to swelling differences between the matrix and minor phases.

  1. Phonon anharmonicity of monoclinic zirconia and yttrium-stabilized zirconia

    SciTech Connect

    Li, Chen W.; Smith, Hillary L.; Lan, Tian; Niedziela, Jennifer L.; Munoz, Jorge A.; Keith, J. Brian; Mauger, L.; Abernathy, Douglas L; Fultz, B.

    2015-04-13

    Inelastic neutron scattering measurements on monoclinic zirconia (ZrO2) and 8 mol% yttrium-stabilized zirconia were performed at temperatures from 300 to 1373 ωK. We reported temperature-dependent phonon densities of states (DOS) and Raman spectra obtained at elevated temperatures. First-principles lattice dynamics calculations with density functional theory gave total and partial phonon DOS curves and mode Grüneisen parameters. These mode Grüneisen parameters were used to predict the experimental temperature dependence of the phonon DOS with partial success. However, substantial anharmonicity was found at elevated temperatures, especially for phonon modes dominated by the motions of oxygen atoms. Yttrium-stabilized zirconia (YSZ) was somewhat more anharmonic and had a broader phonon spectrum at low temperatures, owing in part to defects in its structure. YSZ also has a larger vibrational entropy than monoclinic zirconia.

  2. Nanoporous nanocrystalline monoclinic zirconia for luminescent oxygen sensors

    NASA Astrophysics Data System (ADS)

    Fidelus, Janusz D.; Zhou, Wuzong; Tenderenda, Tadeusz; Nasiłowski, Tomasz

    2015-09-01

    In this work we present a nanocrystalline monoclinic ZrO2 with large free volumen open towards the nanocrystals surface dedicated for optical oxygen sensors. Nanoporous zirconia nanopowder was fabricated in hydrothermal microwave-driven process followed by annealing at 800°C. Metal-coated optical fibers are proposed as a light carrier when the working temperature exceeds 500°C. The obtained results may also find application in luminescent fiber optic oxygen sensors.

  3. Solid State Synthesis and Properties of Monoclinic Celsian

    NASA Technical Reports Server (NTRS)

    Bansal, Narottam P.

    1996-01-01

    Monoclinic celsian of Ba(0.75)Sr(0.25)Al2Si2O8 (BSAS-1) and B(0.85)Sr(O.15)Al2Si2O8 (BSAS-2) compositions have been synthesized from metal carbonates and oxides by solid state reaction. A mixture of BaCO3, SrCO3, Al2O3, and SiO2 powders was precalcined at approx. 900-940 C to decompose the carbonates followed by hot pressing at approx. 1300 C. The hot pressed BSAS-1 material was almost fully dense and contained the monoclinic celsian phase, with complete absence of the undesirable hexacelsian as indicated by x-ray diffraction. In contrast, a small fraction of hexacelsian was still present in hot pressed BSAS-2. However, on further heat treatment at 1200 C for 24 h, the hexacelsian phase was completely eliminated. The average linear thermal expansion coefficients of BSAS-1 and BSAS-2 compositions, having the monoclinic celsian phase, were measured to be 5.28 x 10(exp -6)/deg C and 5.15 x 10(exp -6)/deg C, respectively from room temperature to 1200 C. The hot pressed BSAS-1 celsian showed room temperature flexural strength of 131 MPa, elastic modulus of 96 GPa and was stable in air up to temperatures as high as approx. 1500 C.

  4. Assignments of the Raman modes of monoclinic erbium oxide

    SciTech Connect

    Yan, D.; Wu, P. Zhang, S. P.; Liang, L.; Yang, F.; Pei, Y. L.; Chen, S.

    2013-11-21

    As a heavy rare earth oxide, erbium oxide (Er{sub 2}O{sub 3}) has many attractive properties. Monoclinic Er{sub 2}O{sub 3} has useful properties not found in stable cubic Er{sub 2}O{sub 3}, such as unique optical properties and high radiation damage tolerance. In this study, cubic Er{sub 2}O{sub 3} coating and Er{sub 2}O{sub 3} coating with mixed phases were prepared. The Raman scattering spectra of these coatings were investigated by using a confocal micro-Raman spectrometer equipped with 325, 473, 514, 532, 633, and 784 nm lasers. A total of 17 first-order Raman modes of monoclinic Er{sub 2}O{sub 3} were identified and assigned. The modes at 83, 112, 152, 170, 278, 290, 409, 446, 478, 521, 603, and 622 cm{sup −1} are of A{sub g} symmetry, whereas modes at 71, 98, 333, 409, 446, and 468 cm{sup −1} are of B{sub g} symmetry. This research provides basic data necessary for the characterization of monoclinic Er{sub 2}O{sub 3} by Raman spectroscopy.

  5. A new interpretation of the Besnus transition in monoclinic pyrrhotite

    NASA Astrophysics Data System (ADS)

    Gehring, Andreas

    2016-04-01

    Non-stoichiometric monoclinic 4C pyrrhotite (ideal formula: Fe7S8) is a major magnetic remanence carrier in the Earth's crust and in extraterrestrial materials. Because of its low-temperature magnetic transition around 30 K also known as Besnus transition, this mineral phase is easily detectable in natural samples. Considering the rock magnetic literature, an intrinsic origin of the Besnus transition similar to that of the Verwey transition has generally been assumed. Although the physical properties of pyrrhotite have intensively been studied, the mechanism behind the pronounced change in magnetization at the low-temperature transition is still debated. To address this question we performed magnetization experiments on a natural pyrrhotite crystal (Fe6.6S8) that consists of an epitaxial intergrowth of a commensurate 4C and an incommensurate 5C* superstructure that are different in their defect structure (1,2). The occurrence of two monoclinic superstructures detected by X-ray diffractometry is magnetically confirmed by symmetric inflection points in hysteresis measurements above the transition at about 30 K. The disappearance of the inflection points and the associated change of the hysteresis parameters indicate that the two superstructures become strongly coupled to form a unitary magnetic anisotropy system at the transition. From this it follows that the Besnus transition in monoclinic pyrrhotite is an extrinsic magnetic phenomenon with respect to the 4C superstructure and therefore the physics behind it is in fact different from that of the well-known Verwey transition. Finally, this novel interpretation explains the rock magnetic data for the low-temperature transition that has been reported for monoclinic pyrrhotite. It will also provide deeper understanding of magnetism in monoclinic pyrrhotite, which in turn will enable a more profound insight to the magnetization properties of the Earth's crust. 1.) Charilaou, M., Kind, J., Koulialias, D., Weidler, P

  6. Magnetism and electronic phase transitions in monoclinic transition metal dichalcogenides with transition metal atoms embedded

    NASA Astrophysics Data System (ADS)

    Lin, Xianqing; Ni, Jun

    2016-08-01

    First-principles calculations have been performed to study the energetic, electronic, and magnetic properties of substitutional 3d transition metal dopants in monoclinic transition metal dichalcogenides (TMDs) as topological insulators ( 1 T ' - MX 2 with M = (Mo, W) and X = (S, Se)). We find various favorite features in these doped systems to introduce magnetism and other desirable electronic properties: (i) The Mn embedded monoclinic TMDs are magnetic, and the doped 1 T ' - MoS 2 still maintains the semiconducting character with high concentration of Mn, while an electronic phase transition occurs in other Mn doped monoclinic TMDs with an increasing concentration of Mn. Two Mn dopants prefer the ferromagnetic coupling except for substitution of the nearest Mo atoms in 1 T ' - MoS 2 , and the strength of exchange interaction shows anisotropic behavior with dopants along one Mo zigzag chain having much stronger coupling. (ii) The substitutional V is a promising hole dopant, which causes little change to the energy dispersion around the conduction and valence band edges in most systems. In contrast, parts of the conduction band drop for the electron dopants Co and Ni due to the large structural distortion. Moreover, closing band gaps of the host materials are observed with increasing carrier concentration. (iii) Single Fe dopant has a magnetic moment, but it also dopes electrons. When two Fe dopants have a small distance, the systems turn into nonmagnetic semiconductors. (iv) The formation energies of all dopants are much lower than those in hexagonal TMDs and are all negative in certain growth conditions, suggesting possible realization of the predicted magnetism, electronic phase transitions as well as carrier doping in 1 T ' - MX 2 based topological devices.

  7. Monoclinic Tungsten Oxide with {100} Facet Orientation and Tuned Electronic Band Structure for Enhanced Photocatalytic Oxidations.

    PubMed

    Zhang, Ning; Chen, Chen; Mei, Zongwei; Liu, Xiaohe; Qu, Xiaolei; Li, Yunxiang; Li, Siqi; Qi, Weihong; Zhang, Yuanjian; Ye, Jinhua; Roy, Vellaisamy A L; Ma, Renzhi

    2016-04-27

    Exploring surface-exposed highly active crystal facets for photocatalytic oxidations is promising in utilizing monoclinic WO3 semiconductor. However, the previously reported highly active facets for monoclinic WO3 were mainly toward enhancing photocatalytic reductions. Here we report that the WO3 with {100} facet orientation and tuned surface electronic band structure can effectively enhance photocatalytic oxidation properties. The {100} faceted WO3 single crystals are synthesized via a facile hydrothermal method. The UV-visible diffuse reflectance, X-ray photoelectron spectroscopy valence band spectra, and photoelectrochemical measurements suggest that the {100} faceted WO3 has a much higher energy level of valence band maximum compared with the normal WO3 crystals without preferred orientation of the crystal face. The density functional theory calculations reveal that the shift of O 2p and W 5d states in {100} face induce a unique band structure. In comparison with the normal WO3, the {100} faceted WO3 exhibits an O2 evolution rate about 5.1 times in water splitting, and also shows an acetone evolution rate of 4.2 times as well as CO2 evolution rate of 3.8 times in gaseous degradation of 2-propanol. This study demonstrates an efficient crystal face engineering route to tune the surface electronic band structure for enhanced photocatalytic oxidations. PMID:27045790

  8. Monoclinic crystal structure of α -RuCl3 and the zigzag antiferromagnetic ground state

    NASA Astrophysics Data System (ADS)

    Johnson, R. D.; Williams, S. C.; Haghighirad, A. A.; Singleton, J.; Zapf, V.; Manuel, P.; Mazin, I. I.; Li, Y.; Jeschke, H. O.; Valentí, R.; Coldea, R.

    2015-12-01

    The layered honeycomb magnet α -RuCl3 has been proposed as a candidate to realize a Kitaev spin model with strongly frustrated, bond-dependent, anisotropic interactions between spin-orbit entangled jeff=1/2 Ru3 + magnetic moments. Here, we report a detailed study of the three-dimensional crystal structure using x-ray diffraction on untwinned crystals combined with structural relaxation calculations. We consider several models for the stacking of honeycomb layers and find evidence for a parent crystal structure with a monoclinic unit cell corresponding to a stacking of layers with a unidirectional in-plane offset, with occasional in-plane sliding stacking faults, in contrast with the currently assumed trigonal three-layer stacking periodicity. We report electronic band-structure calculations for the monoclinic structure, which find support for the applicability of the jeff=1/2 picture once spin-orbit coupling and electron correlations are included. Of the three nearest-neighbor Ru-Ru bonds that comprise the honeycomb lattice, the monoclinic structure makes the bond parallel to the b axis nonequivalent to the other two, and we propose that the resulting differences in the magnitude of the anisotropic exchange along these bonds could provide a natural mechanism to explain the previously reported spin gap in powder inelastic neutron scattering measurements, in contrast to spin models based on the three-fold symmetric trigonal structure, which predict a gapless spectrum within linear spin wave theory. Our susceptibility measurements on both powders and stacked crystals, as well as magnetic neutron powder diffraction, show a single magnetic transition upon cooling below TN≈13 K. The analysis of our neutron powder diffraction data provides evidence for zigzag magnetic order in the honeycomb layers with an antiferromagnetic stacking between layers. Magnetization measurements on stacked single crystals in pulsed field up to 60 T show a single transition around 8 T for in

  9. Unique Piezoelectric Properties of the Monoclinic Phase in Pb (Zr ,Ti )O3 Ceramics: Large Lattice Strain and Negligible Domain Switching

    NASA Astrophysics Data System (ADS)

    Fan, Longlong; Chen, Jun; Ren, Yang; Pan, Zhao; Zhang, Linxing; Xing, Xianran

    2016-01-01

    The origin of the excellent piezoelectric properties at the morphotropic phase boundary is generally attributed to the existence of a monoclinic phase in various piezoelectric systems. However, there exist no experimental studies that reveal the role of the monoclinic phase in the piezoelectric behavior in phase-pure ceramics. In this work, a single monoclinic phase has been identified in Pb (Zr ,Ti )O3 ceramics at room temperature by in situ high-energy synchrotron x-ray diffraction, and its response to electric field has been characterized for the first time. Unique piezoelectric properties of the monoclinic phase in terms of large intrinsic lattice strain and negligible domain switching have been observed. The extensional strain constant d33 and the transverse strain constant d31 are calculated to be 520 and -200 pm /V , respectively. These large piezoelectric coefficients are mainly due to the large intrinsic lattice strain, with very little extrinsic contribution from domain switching. The unique properties of the monoclinic phase provide new insights into the mechanisms responsible for the piezoelectric properties at the morphotropic phase boundary.

  10. Hydroxyapatite: Vibrational spectra and monoclinic to hexagonal phase transition

    NASA Astrophysics Data System (ADS)

    Slepko, Alexander; Demkov, Alexander A.

    2015-02-01

    Fundamental studies of biomaterials are necessary to deepen our understanding of their degradation and to develop cure for related illnesses. Biomineral hydroxyapatite Ca10(PO4)6(OH)2 is the main mineral constituent of mammal bone, and its synthetic analogues are used in biomedical applications. The mineral can be found in either hexagonal or monoclinic form. The transformation between these two phases is poorly understood, but knowing its mechanism may be critical to reversing processes in bone related to aging. Using density functional theory, we investigate the mechanisms of the phase transformation and estimate the transition temperature to be 680 K in fair agreement with the experimental temperature of 470 K. We also report the heat capacity of hydroxyapatite and a peculiarity in its phonon dispersion that might allow for non-destructive measurements of the crystal composition with applications in preventive medical screening for bone mineral loss.

  11. Paired, facing monoclines in the Sanpete-Sevier Valley area, central Utah

    USGS Publications Warehouse

    Witkind, I.J.

    1992-01-01

    Several major monoclines that trend northward through the Sanpete-Sevier Valley area of central Utah are paired and face one another. This pairing of monoclines may have occurred when near-horizontal sedimentary and volcanic strata subsided into voids created as salt was removed from a salt diapir concealed beneath valley fill. Removal was mostly by dissolution or extrusion during Neogene time. The paired monoclines, thus, are viewed as collapse features rather than as normal synclinal folds. -from Author

  12. Ceramic fiber-reinforced monoclinic celsian phase glass-ceramic matrix composite material

    NASA Technical Reports Server (NTRS)

    Bansal, Narottam P. (Inventor); Dicarlo, James A. (Inventor)

    1994-01-01

    A hyridopolysilazane-derived ceramic fiber reinforced monoclinic celsian phase barium aluminum silicate glass-ceramic matrix composite material is prepared by ball-milling an aqueous slurry of BAS glass powder and fine monoclinic celsian seeds. The fibers improve the mechanical strength and fracture toughness and with the matrix provide superior dielectric properties.

  13. Encapsulated monoclinic sulfur for stable cycling of li-s rechargeable batteries.

    PubMed

    Moon, San; Jung, Young Hwa; Jung, Wook Ki; Jung, Dae Soo; Choi, Jang Wook; Kim, Do Kyung

    2013-12-01

    Monoclinic S8 , an uncommon allotrope of sulfur at room temperature, can be formed when common orthorhombic S8 is heat-treated under enclosed environments in nanometer dimensions. Monoclinic S8 prevents the formation of soluble polysulfides during battery operation, resulting in unprecedented cycling performance over 1000 cycles under the highest sulfur content to date. PMID:24018843

  14. Octahedral tilting, monoclinic phase and the phase diagram of PZT

    NASA Astrophysics Data System (ADS)

    Cordero, F.; Trequattrini, F.; Craciun, F.; Galassi, C.

    2011-10-01

    Anelastic and dielectric spectroscopy measurements on PbZr1-xTixO3 (PZT) close to the morphotropic (MPB) and antiferroelectric boundaries provide new insight into some controversial aspects of its phase diagram. No evidence is found of a border separating monoclinic (M) from rhombohedral (R) phases, in agreement with recent structural studies supporting a coexistence of the two phases over a broad composition range x < 0.5, with the fraction of M increasing toward the MPB. It is also discussed why the observed maximum of elastic compliance appears to be due to a rotational instability of the polarization linearly coupled to shear strain. Therefore it cannot be explained by extrinsic softening from finely twinned R phase alone, but indicates the presence also of M phase, not necessarily homogeneous. A new diffuse transition is found within the ferroelectric phase near x ˜ 0.1, at a temperature TIT higher than the well established boundary TT to the phase with tilted octahedra. It is proposed that around TIT the octahedra start rotating in a disordered manner and finally become ordered below TT. In this interpretation, the onset temperature for octahedral tilting monotonically increases up to the antiferroelectric transition of PbZrO3, and the depression of TT(x) below x = 0.18 would be a consequence of the partial relief of the mismatch between the average cation radii with the initial stage of tilting below TIT.

  15. Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure.

    PubMed

    Sinmyo, Ryosuke; Bykova, Elena; Ovsyannikov, Sergey V; McCammon, Catherine; Kupenko, Ilya; Ismailova, Leyla; Dubrovinsky, Leonid

    2016-01-01

    Iron oxides are fundamentally important compounds for basic and applied sciences as well as in numerous industrial applications. In this work we report the synthesis and investigation of a new binary iron oxide with the hitherto unknown stoichiometry of Fe7O9. This new oxide was synthesized at high-pressure high-temperature (HP-HT) conditions, and its black single crystals were successfully recovered at ambient conditions. By means of single crystal X-ray diffraction we determined that Fe7O9 adopts a monoclinic C2/m lattice with the most distorted crystal structure among the binary iron oxides known to date. The synthesis of Fe7O9 opens a new portal to exotic iron-rich (M,Fe)7O9 oxides with unusual stoichiometry and distorted crystal structures. Moreover, the crystal structure and phase relations of such new iron oxide groups may provide new insight into the cycling of volatiles in the Earth's interior. PMID:27605075

  16. Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure

    PubMed Central

    Sinmyo, Ryosuke; Bykova, Elena; Ovsyannikov, Sergey V.; McCammon, Catherine; Kupenko, Ilya; Ismailova, Leyla; Dubrovinsky, Leonid

    2016-01-01

    Iron oxides are fundamentally important compounds for basic and applied sciences as well as in numerous industrial applications. In this work we report the synthesis and investigation of a new binary iron oxide with the hitherto unknown stoichiometry of Fe7O9. This new oxide was synthesized at high-pressure high-temperature (HP-HT) conditions, and its black single crystals were successfully recovered at ambient conditions. By means of single crystal X-ray diffraction we determined that Fe7O9 adopts a monoclinic C2/m lattice with the most distorted crystal structure among the binary iron oxides known to date. The synthesis of Fe7O9 opens a new portal to exotic iron-rich (M,Fe)7O9 oxides with unusual stoichiometry and distorted crystal structures. Moreover, the crystal structure and phase relations of such new iron oxide groups may provide new insight into the cycling of volatiles in the Earth’s interior. PMID:27605075

  17. Monoclinic deformation of the crystal lattice of hematite α-Fe2O3

    NASA Astrophysics Data System (ADS)

    Przeniosło, Radosław; Sosnowska, Izabela; Stękiel, Michał; Wardecki, Dariusz; Fitch, Andrew; B. Jasiński, Jacek

    2014-09-01

    Lineshape analysis of high resolution synchrotron radiation diffraction patterns of polycrystalline α-Fe2O3 powders show distortions from trigonal (space group R-3c) symmetry. The symmetry lowering is observed for α-Fe2O3 polycrystalline powders from several commercial vendors. The experimental observations can be explained by assuming a monoclinic symmetry (space group C2/c). The relative differences between the monoclinic and the hexagonal lattice constants are of the order of 10-4. The monoclinic symmetry of the crystal structure of α-Fe2O3 (C2/c) is in agreement with magnetic space group analysis [American Mineralogist 95 (2010) 974].

  18. Pressure-induced irreversible phase transitions of the monoclinic GdOOH nanorods at ambient temperature

    NASA Astrophysics Data System (ADS)

    Zhang, Chuanchao; Dai, Rucheng; Sui, Zhilei; Chen, Qiao; Wang, Zhongping; Yuan, Xiaodong; Zhang, Zengming; Ding, Zejun

    2014-09-01

    The structural transition of monoclinic GdOOH nanorods was studied by using a diamond anvil cell at room temperature with the probe of Eu3+ ion luminescence under pressures up to 21.4 GPa. The changes of luminescence spectra indicated that a pressure-induced phase transition from the monoclinic phase to the high pressure tetragonal phase occurs at 10.7 GPa for GdOOH nanorods, and the monoclinic GdOOH nanorods are gradually transformed into the tetragonal phase with increasing pressure. After releasing of pressure to the ambient, the high pressure tetragonal phase is retained, and the phase transition of GdOOH nanorods is irreversible.

  19. Vibrational Spectroscopy and Phonon-Related Properties of the L-Aspartic Acid Anhydrous Monoclinic Crystal.

    PubMed

    Silva, A M; Costa, S N; Sales, F A M; Freire, V N; Bezerra, E M; Santos, R P; Fulco, U L; Albuquerque, E L; Caetano, E W S

    2015-12-10

    The infrared absorption and Raman scattering spectra of the monoclinic P21 l-aspartic acid anhydrous crystal were recorded and interpreted with the help of density functional theory (DFT) calculations. The effect of dispersive forces was taken into account, and the optimized unit cells allowed us to obtain the vibrational normal modes. The computed data exhibits good agreement with the measurements for low wavenumbers, allowing for a very good assignment of the infrared and Raman spectral features. The vibrational spectra of the two lowest energy conformers of the l-aspartic molecule were also evaluated using the hybrid B3LYP functional for the sake of comparison, showing that the molecular calculations give a limited description of the measured IR and Raman spectra of the l-aspartic acid crystal for wavenumbers below 1000 cm(-1). The results obtained reinforce the need to use solid-state calculations to describe the vibrational properties of molecular crystals instead of calculations for a single isolated molecule picture even for wavenumbers beyond the range usually associated with lattice modes (200 cm(-1) < ω < 1000 cm(-1)). PMID:26623495

  20. Evidence of a pressure-induced metallization process in monoclinic VO2.

    PubMed

    Arcangeletti, E; Baldassarre, L; Di Castro, D; Lupi, S; Malavasi, L; Marini, C; Perucchi, A; Postorino, P

    2007-05-11

    Raman and combined infrared transmission and reflectivity measurements were carried out at room temperature (RT) on monoclinic VO2 over the 0-19 GPa and 0-14 GPa pressure ranges. Both lattice dynamics and optical gap show a remarkable stability up to P* approximately 10 GPa whereas subtle modifications of V ion arrangements within the monoclinic lattice, together with the onset of a metallization process via band gap filling, are observed for P >P*. Differently from P=0, where the VO2 metallic phase is found only in conjunction with the rutile structure above 340 K, a new RT metallic phase within a monoclinic structure appears accessible in the high pressure regime. PMID:17677642

  1. Measurement of elastic constants of monoclinic nickel-titanium and validation of first principles calculations

    SciTech Connect

    Stebner, A. P.; Brown, D. W.; Brinson, L. C.

    2013-05-27

    Polycrystalline, monoclinic nickel-titanium specimens were subjected to tensile and compressive deformations while neutron diffraction spectra were recorded in situ. Using these data, orientation-specific and macroscopic Young's moduli are determined from analysis of linear-elastic deformation exhibited by 13 unique orientations of monoclinic lattices and their relationships to each macroscopic stress and strain. Five of 13 elastic compliance constants are also identified: s{sub 11} = 1.15, s{sub 15} = -1.10, s{sub 22} = 1.34, s{sub 33} = 1.06, s{sub 35} = -1.54, all Multiplication-Sign 10{sup -2} GPa{sup -1}. Through these results, recent atomistic calculations of monoclinic nickel-titanium elastic constants are validated.

  2. Structural, microstructural and vibrational analyses of the monoclinic tungstate BiLuWO{sub 6}

    SciTech Connect

    Ait Ahsaine, H.; Taoufyq, A.; Patout, L.; Ezahri, M.; Benlhachemi, A.; Bakiz, B.; Villain, S.; Guinneton, F.; Gavarri, J.-R.

    2014-10-15

    The bismuth lutetium tungstate phase BiLuWO{sub 6} has been prepared using a solid state route with stoichiometric mixtures of oxide precursors. The obtained polycrystalline phase has been characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Raman spectroscopy. In the first step, the crystal structure has been refined using Rietveld method: the crystal cell was resolved using monoclinic system (parameters a, b, c, β) with space group A2/m. SEM images showed the presence of large crystallites with a constant local nominal composition (BiLuW). TEM analyses showed that the actual local structure could be better represented by a superlattice (a, 2b, c, β) associated with space groups P2 or P2/m. The Raman spectroscopy showed the presence of vibrational bands similar to those observed in the compounds BiREWO{sub 6} with RE=Y, Gd, Nd. However, these vibrational bands were characterized by large full width at half maximum, probably resulting from the long range Bi/Lu disorder and local WO{sub 6} octahedron distortions in the structure. - Graphical abstract: The average structure of BiLuWO{sub 6} determined from X-ray diffraction data can be represented by A2/m space group. Experimental Electron Diffraction patterns along the [0vw] zone axes of the monoclinic structure and associated simulated patterns show the existence of a monoclinic superstructure with space group P2 or P2/m. - Highlights: • A new monoclinic BiLuWO{sub 6} phase has been elaborated from solid-state reaction. • The space group of the monoclinic disordered average structure should be A2/m. • Transmission electron microscopy leads to a superlattice with P2/m space group. • Raman spectroscopy suggests existence of local disorder.

  3. Evidence for photo-induced monoclinic metallic VO{sub 2} under high pressure

    SciTech Connect

    Hsieh, Wen-Pin Mao, Wendy L.; Trigo, Mariano; Reis, David A.; Andrea Artioli, Gianluca; Malavasi, Lorenzo

    2014-01-13

    We combine ultrafast pump-probe spectroscopy with a diamond-anvil cell to decouple the insulator-metal electronic transition from the lattice symmetry changing structural transition in the archetypal strongly correlated material vanadium dioxide. Coherent phonon spectroscopy enables tracking of the photo-excited phonon vibrational frequencies of the low temperature, monoclinic (M{sub 1})-insulating phase that transforms into the metallic, tetragonal rutile structured phase at high temperature or via non-thermal photo-excitations. We find that in contrast with ambient pressure experiments where strong photo-excitation promptly induces the electronic transition along with changes in the lattice symmetry, at high pressure, the coherent phonons of the monoclinic (M{sub 1}) phase are still clearly observed upon the photo-driven phase transition to a metallic state. These results demonstrate the possibility of synthesizing and studying transient phases under extreme conditions.

  4. Monoclinic sulfur cathode utilizing carbon for high-performance lithium-sulfur batteries

    NASA Astrophysics Data System (ADS)

    Jung, Sung Chul; Han, Young-Kyu

    2016-09-01

    Sulfur cathodes for lithium-sulfur batteries have been designed to be combined with conductive carbon because the insulating nature of sulfur causes low active material utilization and poor rate capability. This paper is the first to report that carbon can induce a phase transition in a sulfur cathode. The stable form of a sulfur crystal at ambient temperature is orthorhombic sulfur. We found that monoclinic sulfur becomes more stable than orthorhombic sulfur if carbon atoms penetrate into the sulfur at elevated temperatures and the carbon density exceeds a threshold of C0.3S8. The high stability of the carbon-containing monoclinic sulfur persists during lithiation and is attributed to locally formed linear SC3S chains with marked stability. This study provides a novel perspective on the role of carbon in the sulfur cathode and suggests control of the crystal phase of electrodes by composite elements as a new way of designing efficient electrode materials.

  5. Monoclinic and orthorhombic polymorphs of paracetamol—solid state linear dichroic infrared spectral analysis

    NASA Astrophysics Data System (ADS)

    Ivanova, Bojidarka B.

    2005-03-01

    Solid-state linear dichroic infrared (IR-LD) spectral analysis of both monoclinic (form I) and orthorhombic (form II) polymorphs of paracetamol was carried out using an orientation technique as a nematic liquid crystal suspension. The so-called reducing-difference procedure for polarized spectra interpretation was applied and the obtained supramolecular stereo structural data of both modifications were compared with known crystallographic ones. A detailed vibration assignment of characteristic frequencies of forms I and II was also applied. A quantitative FT-IR spectral approach for monoclinic form determination in mixtures by the intensity ratio of 1610 cm -1 peak (characteristic for both forms) to 1666 cm -1 one (attributed to orthorhombic modification) was presented, as well.

  6. Raman analysis of monoclinic Cu2SnS3 thin films

    NASA Astrophysics Data System (ADS)

    Berg, Dominik M.; Djemour, Rabie; Gütay, Levent; Siebentritt, Susanne; Dale, Phillip J.; Fontane, Xavier; Izquierdo-Roca, Victor; Pérez-Rodriguez, Alejandro

    2012-05-01

    Secondary phases like Cu2SnS3 are major obstacles for kesterite thin film solar cell applications. We prepare Cu2SnS3 using identical annealing conditions as used for the kesterite films. By x-ray diffraction, the crystal structure of Cu2SnS3 was identified as monoclinic. Polarization-dependent Raman investigations allowed the identification of the dominant peaks at 290 cm-1 and 352 cm-1 with the main A' symmetry vibrational modes from the monoclinic Cu2SnS3 phase. Furthermore, micro-resolved Raman investigations revealed local variations in the spectra that are attributed to a secondary phase (possibly Cu2Sn3S7). This exemplifies the abilities of micro-resolved Raman measurements in the detection of secondary phases.

  7. Changes in mobility of plastic crystal ethanol during its transformation into the monoclinic crystal state

    SciTech Connect

    Sanz, Alejandro Nogales, Aurora; Ezquerra, Tiberio A.; Puente-Orench, Inés; Jiménez-Ruiz, Mónica

    2014-02-07

    Transformation of deuterated ethanol from the plastic crystal phase into the monoclinic one is investigated by means of a singular setup combining simultaneously dielectric spectroscopy with neutron diffraction. We postulate that a dynamic transition from plastic crystal to supercooled liquid-like configuration through a deep reorganization of the hydrogen-bonding network must take place as a previous step of the crystallization process. Once these precursor regions are formed, subsequent crystalline nucleation and growth develop with time.

  8. Ion beam induced cubic to monoclinic phase transformation of nanocrystalline yttria

    NASA Astrophysics Data System (ADS)

    Shivaramu, N. J.; Lakshminarasappa, B. N.; Nagabhushana, K. R.; Singh, Fouran

    2016-07-01

    Sol gel derived nanocrystalline yttria pellets are irradiated with 120 MeV Ag9+ ions for fluence in the range 1 × 1012-3 × 1013 ions cm-2. Pristine and irradiated samples are characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and Raman spectroscopy. XRD pattern of pristine Y2O3 nanocrystal reveal cubic structure. A new XRD peak at 30.36° is observed in pellet irradiated with 1 × 1013 ions cm-2. The peak at 30.36° is corresponding to (4 0 2 bar) plane of monoclinic phase. The diffraction intensity of (4 0 2 bar) plane increases with Ag9+ ion fluence. Raman spectrum of pristine pellet show bands corresponding to cubic phase. And, ion irradiated sample show new peaks at 410, 514 and 641 cm-1 corresponding monoclinic phase. HR-TEM and SAED pattern of ion irradiated sample confirmed the presence of monoclinic phase. Hence, it is confirmed that, 120 MeV Ag9+ ions induce phase transformation in nanocrystalline Y2O3.

  9. Metallic monoclinic phase in VO2 induced by electrochemical gating: In situ Raman study

    NASA Astrophysics Data System (ADS)

    Nath Gupta, Satyendra; Pal, Anand; Muthu, D. V. S.; Kumar, P. S. Anil; Sood, A. K.

    2016-07-01

    We report in situ Raman scattering studies of electrochemically top gated VO2 thin film to address metal-insulator transition (MIT) under gating. The room temperature monoclinic insulating phase goes to metallic state at a gate voltage of 2.6 V. However, the number of Raman modes do not change with electrolyte gating showing that the metallic phase is still monoclinic. The high-frequency Raman mode A g (7) near 616 cm‑1 ascribed to V-O vibration of bond length 2.06 Å in VO6 octahedra hardens with increasing gate voltage and the B g (3) mode near 654 cm‑1 softens. This shows that the distortion of the VO6 octahedra in the monoclinic phase decreases with gating. The time-dependent Raman data at fixed gate voltages of 1 V (for 50 minutes, showing enhancement of conductivity by a factor of 50) and 2 V (for 130 minutes, showing further increase in conductivity by a factor of 5) show similar changes in high-frequency Raman modes A g (7) and B g (3) as observed in gating. This slow change in conductance together with Raman frequency changes show that the governing mechanism for metalization is more likely due to the diffusion-controlled oxygen vacancy formation due to the applied electric field.

  10. The creation of modulated monoclinic aperiodic composites in n-alkane/urea compounds

    DOE PAGESBeta

    Mariette, Céline; Guérin, Laurent; Rabiller, Philippe; Chen, Yu-Sheng; Bosak, Alexei; Popov, Alexander; Hollingsworth, Mark D.; Toudic, Bertrand

    2014-09-12

    n-Dodecane/urea is a member of the prototype series of n-alkane/urea inclusion compounds. At room temperature, it presents a quasi-one dimensional liquid-like state for the confined guest molecules within the rigid, hexagonal framework of the urea host. At lower temperatures, we report the existence of two other phases. Below Tc=248 K there appears a phase with rank four superspace group P6122(00γ), the one typically observed at room temperature in n-alkane/urea compounds with longer guest molecules. A misfit parameter, defined by the ratio γ=ch/cg (chost/cguest), is found to be 0.632±0.005. Below Tc1=123 K, a monoclinic modulated phase is created with a constantmore » shift along c of the guest molecules in adjacent channels. The maximal monoclinic space group for this structure is P1211(α0γ). We discuss analogies and differences with n-heptane/urea, which also presents a monoclinic, modulated low-temperature phase.« less

  11. The creation of modulated monoclinic aperiodic composites in n-alkane/urea compounds

    SciTech Connect

    Mariette, Céline; Guérin, Laurent; Rabiller, Philippe; Chen, Yu-Sheng; Bosak, Alexei; Popov, Alexander; Hollingsworth, Mark D.; Toudic, Bertrand

    2014-09-12

    n-Dodecane/urea is a member of the prototype series of n-alkane/urea inclusion compounds. At room temperature, it presents a quasi-one dimensional liquid-like state for the confined guest molecules within the rigid, hexagonal framework of the urea host. At lower temperatures, we report the existence of two other phases. Below Tc=248 K there appears a phase with rank four superspace group P6122(00γ), the one typically observed at room temperature in n-alkane/urea compounds with longer guest molecules. A misfit parameter, defined by the ratio γ=ch/cg (chost/cguest), is found to be 0.632±0.005. Below Tc1=123 K, a monoclinic modulated phase is created with a constant shift along c of the guest molecules in adjacent channels. The maximal monoclinic space group for this structure is P1211(α0γ). We discuss analogies and differences with n-heptane/urea, which also presents a monoclinic, modulated low-temperature phase.

  12. The creation of modulated monoclinic aperiodic composites in n-alkane/urea compounds

    PubMed Central

    Mariette, Céline; Guérin, Laurent; Rabiller, Philippe; Chen, Yu-Sheng; Bosak, Alexei; Popov, Alexander; Hollingsworth, Mark D.

    2015-01-01

    n-Dodecane/urea is a member of the prototype series of n-alkane/urea inclusion compounds. At room temperature, it presents a quasi-one dimensional liquid-like state for the confined guest molecules within the rigid, hexagonal framework of the urea host. At lower temperatures, we report the existence of two other phases. Below Tc=248 K there appears a phase with rank four superspace group P6122(00γ), the one typically observed at room temperature in n-alkane/urea compounds with longer guest molecules. A misfit parameter, defined by the ratio γ=ch/cg (chost/cguest), is found to be 0.632±0.005. Below Tc1=123 K, a monoclinic modulated phase is created with a constant shift along c of the guest molecules in adjacent channels. The maximal monoclinic space group for this structure is P1211(α0γ). Analogies and differences with n-heptane/urea, which also presents a monoclinic, modulated low-temperature phase, are discussed. PMID:26213678

  13. A new monoclinic polymorph of 1,1'-bis-(di-phenyl-thio-phosphor-yl)ferrocene.

    PubMed

    Tan, Yee Seng; Yeo, Chien Ing; Tiekink, Edward R T

    2015-08-01

    The title compound, [Fe(C17H14PS)2], is a second monoclinic polymorph (P21/c, with Z' = 1) of the previously reported monoclinic (C2/c, with Z' = 1/2) form [Fang et al. (1995 ▸). Polyhedron, 14, 2403-2409]. In the new form, the S atoms lie to the same side of the mol-ecule with the pseudo S-P⋯P-S torsion angle being -53.09 (3)°. By contrast to this almost syn disposition, in the C2/c polymorph, the Fe atom lies on a centre of inversion so that the S atoms are strictly anti, with a pseudo-S-P⋯P-S torsion angle of 180°. The significant difference in mol-ecular conformation between the two forms does not result in major perturbations in the P=S bond lengths nor in the distorted tetra-hedral geometries about the P atoms. The crystal packing of the new monoclinic polymorph features weak Cp-C-H⋯π(phen-yl) inter-actions consolidating linear supra-molecular chains along the a axis. These pack with no directional inter-actions between them. PMID:26396747

  14. Structural geometry of Raplee Ridge monocline and thrust fault imaged using inverse Boundary Element Modeling and ALSM data

    NASA Astrophysics Data System (ADS)

    Hilley, G. E.; Mynatt, I.; Pollard, D. D.

    2010-01-01

    We model the Raplee Ridge monocline in southwest Utah, where Airborne Laser Swath Mapping (ALSM) topographic data define the geometry of exposed marker layers within this fold. The spatial extent of five surfaces were mapped using the ALSM data, elevations were extracted from the topography, and points on these surfaces were used to infer the underlying fault geometry and remote strain conditions. First, we compare elevations extracted from the ALSM data to the publicly available National Elevation Dataset 10-m DEM (Digital Elevation Model; NED-10) and 30-m DEM (NED-30). While the spatial resolution of the NED datasets was too coarse to locate the surfaces accurately, the elevations extracted at points spaced ˜50 m apart from each mapped surface yield similar values to the ALSM data. Next, we used a Boundary Element Model (BEM) to infer the geometry of the underlying fault and the remote strain tensor that is most consistent with the deformation recorded by strata exposed within the fold. Using a Bayesian sampling method, we assess the uncertainties within, and covariation between, the fault geometric parameters and remote strain tensor inferred using the model. We apply these methods to the Raplee Ridge monocline, and find that the resolution and precision of the ALSM data are unnecessary for inferring the fault geometry and remote strain tensor using our approach. However, the ALSM data were necessary for the mapping of the spatial distribution of surface outcrops. Our models considered two scenarios: one in which fault geometry and remote strains were inferred using a single deformed stratum, and another in which all mapped strata were used in the inversion. Modeled elevations match those observed to within a root-mean-squared error of 16-18 m, and show little bias with position along the fold. Both single- and multilayer inversions image a fault that is broadly constrained to be ˜4.5-14 km in down-dip height, 13-30 km in along-strike width, with a tip-line 2

  15. Predicting suitable optoelectronic properties of monoclinic VON semiconductor crystals for photovoltaics using accurate first-principles computations.

    PubMed

    Harb, Moussab

    2015-10-14

    Using accurate first-principles quantum calculations based on DFT (including the DFPT) with the range-separated hybrid HSE06 exchange-correlation functional, we can predict the essential fundamental properties (such as bandgap, optical absorption co-efficient, dielectric constant, charge carrier effective masses and exciton binding energy) of two stable monoclinic vanadium oxynitride (VON) semiconductor crystals for solar energy conversion applications. In addition to the predicted band gaps in the optimal range for making single-junction solar cells, both polymorphs exhibit a relatively high absorption efficiency in the visible range, high dielectric constant, high charge carrier mobility and much lower exciton binding energy than the thermal energy at room temperature. Moreover, their optical absorption, dielectric and exciton dissociation properties were found to be better than those obtained for semiconductors frequently utilized in photovoltaic devices such as Si, CdTe and GaAs. These novel results offer a great opportunity for this stoichiometric VON material to be properly synthesized and considered as a new good candidate for photovoltaic applications. PMID:26351755

  16. Seismic transpressive basement faults and monocline development in a foreland basin (Eastern Guadalquivir, SE Spain)

    NASA Astrophysics Data System (ADS)

    Pedrera, A.; Ruiz-Constán, A.; Marín-Lechado, C.; Galindo-Zaldívar, J.; González, A.; Peláez, J. A.

    2013-12-01

    We examine the late Tortonian to present-day deformation of an active seismic sector of the eastern Iberian foreland basement of the Betic Cordillera, in southern Spain. Transpressive faults affecting Paleozoic basement offset up to Triassic rocks. Late Triassic clays and evaporites constitute a décollement level decoupling the basement rocks and a ~100 m thick cover of Jurassic carbonates. Monoclines trending NE-SW to ENE-WSW deform the Jurassic cover driven by the propagation of high-angle transpressive right-lateral basement faults. They favor the migration of clays and evaporites toward the propagated fault tip, i.e., the core of the anticline, resulting in fluid overpressure, fluid flow, and precipitation of fibrous gypsum parallel to a vertical σ3. The overall geometry of the studied monoclines, as well as the intense deformation within the clays and evaporites, reproduces three-layer discrete element models entailing a weak middle unit sandwiched between strong layers. Late Tortonian syn-folding sediments recorded the initial stages of the fault-propagation folding. Equivalent unexposed transpressive structures and associated monoclines reactivated under the present-day NW-SE convergence are recognized and analyzed in the Sabiote-Torreperogil region, using seismic reflection, gravity, and borehole data. A seismic series of more than 2100 low-magnitude earthquakes was recorded within a very limited area of the basement of this sector from October 2012 to May 2013. Seismic activity within a major NE-SW trending transpressive basement fault plane stimulated rupture along a subsidiary E-W (~N95°E) strike-slip relay fault. The biggest event (mbLg 3.9, MW 3.7) occurred at the junction between them in a transpressive relay sector.

  17. A monoclinic form of dendocarbin A: a borderline case of one-dimensional isostructural polymorphism.

    PubMed

    Paz, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo

    2015-04-01

    The title compound, dendocarbin A [systematic name: (1R,5aS,9aS,9bR)-1-hydroxy-6,6,9a-trimethyldodecahydronaphtho[1,2-c]furan-3-one], C15H22O3, is a sesquiterpene lactone isolated from Drimys winteri var chilensis. The monoclinic phase described herein displays an identical molecular structure to the orthorhombic phase that we reported previously [Paz Robles et al. (2014). Acta Cryst. C70, 1007-1010], while varying significantly in chain pitch, and can thus be considered as a borderline case of one-dimensional isostructural polymorphism. PMID:25836288

  18. Variable defect structures cause the magnetic low-temperature transition in natural monoclinic pyrrhotite

    NASA Astrophysics Data System (ADS)

    Koulialias, D.; Kind, J.; Charilaou, M.; Weidler, P. G.; Löffler, J. F.; Gehring, A. U.

    2016-02-01

    Non-stoichiometric monoclinic 4C pyrrhotite (Fe7S8) is a major magnetic remanence carrier in the Earth's crust and in extraterrestrial materials. Because of its low-temperature magnetic transition around 30 K also known as Besnus transition, which is considered to be an intrinsic property, this mineral phase is easily detectable in natural samples. Although the physical properties of pyrrhotite have intensively been studied, the mechanism behind the pronounced change in magnetization at the low-temperature transition is still debated. Here we report magnetization experiments on a pyrrhotite crystal (Fe6.6S8) that consists of a 4C and an incommensurate 5C* superstructure that are different in their defect structure. The occurrence of two superstructures is magnetically confirmed by symmetric inflection points in hysteresis measurements above the transition at about 30 K. The disappearance of the inflection points and the associated change of the hysteresis parameters indicate that the two superstructures become strongly coupled to form a unitary magnetic anisotropy system at the transition. From this it follows that the Besnus transition in monoclinic pyrrhotite is an extrinsic magnetic phenomenon with respect to the 4C superstructure and therefore the physics behind it is in fact different from that of the well-known Verwey transition.

  19. Monoclinic tridymite in clast-rich impact melt rock from the Chesapeake Bay impact structure

    USGS Publications Warehouse

    Jackson, J.C.; Horton, J.W., Jr.; Chou, I.-Ming; Belkin, H.E.

    2011-01-01

    X-ray diffraction and Raman spectroscopy confirm a rare terrestrial occurrence of monoclinic tridymite in clast-rich impact melt rock from the Eyreville B drill core in the Chesapeake Bay impact structure. The monoclinic tridymite occurs with quartz paramorphs after tridymite and K-feldspar in a microcrystalline groundmass of devitrified glass and Fe-rich smectite. Electron-microprobe analyses revealed that the tridymite and quartz paramorphs after tridymite contain different amounts of chemical impurities. Inspection by SEM showed that the tridymite crystal surfaces are smooth, whereas the quartz paramorphs contain irregular tabular voids. These voids may represent microporosity formed by volume decrease in the presence of fluid during transformation from tridymite to quartz, or skeletal growth in the original tridymite. Cristobalite locally rims spherulites within the same drill core interval. The occurrences of tridymite and cristobalite appear to be restricted to the thickest clast-rich impact melt body in the core at 1402.02-1407.49 m depth. Their formation and preservation in an alkali-rich, high-silica melt rock suggest initially high temperatures followed by rapid cooling.

  20. Structural, optical and photoelectrochemical characterizations of monoclinic Ta3N5 thin films.

    PubMed

    Khan, Sherdil; Zapata, Maximiliano J M; Pereira, Marcelo B; Gonçalves, Renato V; Strizik, Lukas; Dupont, Jairton; Santos, Marcos J L; Teixeira, Sérgio R

    2015-10-01

    Monoclinic Ta3N5 thin films were synthesized by thermal nitridation of amorphous Ta2O5 films directly sputtered by radio frequency magnetron sputtering. The samples were studied by high resolution transmission electron microscopy, X-ray photoelectron spectroscopy, UV-Vis-NIR spectrophotometry, rietveld refinements, spectroscopic ellipsometry and electrochemical techniques. The surface composition of Ta3N5 thin film was found to be different than the underlying film, affecting the optical properties of the material. Rietveld refinement has confirmed that the nitridation process results in Schottky and oxygen substitutional defects within the crystalline structure of monoclinic Ta3N5 thin film. The optical constants of the film were obtained by spectroscopic ellipsometry within a spectral range of 4.60-0.54 eV, i.e. 270-2300 nm. The suitable parameterization was found to consist of three Tauc-Lorentz and one Lorentz oscillators. The conduction band, valence band and the flat band positions were determined by photoelectrochemical techniques, presenting a strong dependence on pH of the eletrolyte. Improved photocurrent was obtained in alkaline conditions and attributed to the shorter depletion region width measured by Mott-Schottky and the lower recombination life time measured by open circuit potential decay analyses. PMID:26313126

  1. Finite element analysis of the tetragonal to monoclinic phase transformation during oxidation of zirconium alloys

    NASA Astrophysics Data System (ADS)

    Platt, P.; Frankel, P.; Gass, M.; Howells, R.; Preuss, M.

    2014-11-01

    Corrosion is a key limiting factor in the degradation of zirconium alloys in light water reactors. Developing a mechanistic understanding of the corrosion process offers a route towards improving safety and efficiency as demand increases for higher burn-up of fuel. Oxides formed on zirconium alloys are composed of both monoclinic and meta-stable tetragonal phases, and are subject to a number of potential mechanical degradation mechanisms. The work presented investigates the link between the tetragonal to monoclinic oxide phase transformation and degradation of the protective character of the oxide layer. To achieve this, Abaqus finite element analysis of the oxide phase transformation has been carried out. Study of the change in transformation strain energy shows how relaxation of oxidation induced stress and fast fracture at the metal-oxide interface could destabilise the tetragonal phase. Central to this is the identification of the transformation variant most likely to form, and understanding why twinning of the transformed grain is likely to occur. Development of transformation strain tensors and analysis of the strain components allows some separation of dilatation and shear effects. Maximum principal stress is used as an indication of fracture in the surrounding oxide layer. Study of the stress distributions shows the way oxide fracture is likely to occur and the differing effects of dilatation and shape change. Comparison with literature provides qualitative validation of the finite element simulations.

  2. First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl3

    NASA Astrophysics Data System (ADS)

    Huang, Ling-Yi; Lambrecht, Walter

    2015-03-01

    Halide perovskites have recently attracted attention for photovoltaic applications. While CsSnCl3 in the perovskite structure is less suitable for solar cells because of its higher band gap than the iodides, it is still of interest as the end member of mixed CsSn(I1-xClx)3 and addition of Cl has been found to increase solar cell efficiencies. The other reason this material is interesting is that at 390 K it undergoes a phase transition to a monoclinic structure with even larger band gap, which differs from the yellow phase occuring for CsSnI3. Understanding the various possible phase transitions and structures in the trihalides is important for the long-term stability of these materials in solar cells. Raman data exist on monoclinic CsSnCl3 material since the late 80s but have in the past not been compared with first-principles calculations of the phonons in this material. We present calculations of the phonons at the Γ-point using density functional perturbation theory using the abinit program. A symmetry analysis is presented and the calculated phonon modes are compared with experimental data and previous attempts to classify the modes as internal to the SnCl3 tetrahedra and lattice modes. Supported by DOE.

  3. Strong Bilayer Coupling Induced by the Symmetry Breaking in the Monoclinic Phase of BiS2-Based Superconductors

    NASA Astrophysics Data System (ADS)

    Ochi, Masayuki; Akashi, Ryosuke; Kuroki, Kazuhiko

    2016-09-01

    We perform first-principles band structure calculations for the tetragonal and monoclinic structures of LaO0.5F0.5BiS2. We find that the Bi 6px,y bands on two BiS2 layers exhibit a sizable splitting at the X = (π ,0,0) and several other k-points for the monoclinic structure. We show that this feature originates from the inter-BiS2 layer coupling strongly enhanced by the symmetry breaking of the crystal structure. The Fermi surface also shows a large splitting and becomes anisotropic with respect to the kx- and ky-directions in the monoclinic structure, whereas it remains almost flat with respect to the kz-direction.

  4. A new, layered monoclinic phase of Co3O4 at high pressure.

    PubMed

    Kaewmaraya, Thanayut; Luo, Wei; Yang, Xiao; Panigrahi, Puspamitra; Ahuja, Rajeev

    2015-08-14

    We present the crystal structures and electronic properties of a Co3O4 spinel under high pressure. Co3O4 undergoes a first-order transition from a cubic (CB) Fd3̄m to a lower-symmetry monoclinic (MC) P21/c phase at 35 GPa, occurring after the local high-spin to low-spin phase transition. The high-pressure phase exhibits the octahedral coordination of Co(II) and Co(III), whereas the CB phase contains the fourfold coordination of Co(II) and the sixfold coordination of Co(III). The CB-to-MC transition is attributed to the charge-transfer between the di- and trivalent cations via the enhanced 3d-3d interactions. PMID:26166770

  5. THE MONOCLINIC PHASE IN PZT: NEW LIGHT ON MORPHOTROPIC PHASE BOUNDARIES

    SciTech Connect

    NOHEDA,B.; GONZALO,J.A.; GUO,R.; PARK,S.E.; CROSS,L.E.; COX,D.E.; SHIRANE,G.

    2000-03-09

    A summary of the work recently carried out on the morphotropic phase boundary (MPB) of PZT is presented. By means of x-ray powder diffraction on ceramic samples of excellent quality, the MPB has been successfully characterized by changing temperature in a series of closely spaced compositions. As a result, an unexpected monoclinic phase has been found to exist in between the well-known tetragonal and rhombohedral PZT phases. A detailed structural analysis, together with the investigation of the field effect in this region of compositions, have led to an important advance in understanding the mechanisms responsible for the physical properties of PZT as well as other piezoelectric materials with similar morphotropic phase boundaries.

  6. The Elastic Constants and Related Mechanical Properties of the Monoclinic Polymorph of the Carbamazepine Molecular Crystal

    NASA Astrophysics Data System (ADS)

    Mohapatra, Himansu; Eckhardt, Craig J.

    2007-03-01

    Polymorphism is the property of a compound to crystallize in two or more crystalline phases containing different arrangements and/or conformations of the molecules in the crystal lattice. The Phenomenon of polymorphism is a major issue in the pharmaceutical industry especially in relation to drug uptake in the body, tablet processing and growth. This has led to considerable interest in predicting and understanding properties of drug polymorphs, and more recently the mechanical properties of the polymorphs. In this work, Brillouin scattering is used to probe the acoustic phonons of the monoclinic (P21/c) polymorph of the drug, carbamazepine (CBZ). By sampling a variety of acoustic phonons, the complete elastic constant tensor has been determined for this CBZ polymorph. The observed trend in the elastic constants: C11< C22˜C33 is qualitatively associated with the crystal growth pattern seen in CBZ. Investigation into the anisotropy of the intermolecular interactions has been investigated further by calculation of linear compressibilities.

  7. Donor-acceptor pair recombination luminescence from monoclinic Cu2SnS3 thin film

    NASA Astrophysics Data System (ADS)

    Aihara, Naoya; Tanaka, Kunihiko; Uchiki, Hisao; Kanai, Ayaka; Araki, Hideaki

    2015-07-01

    The defect levels in Cu2SnS3 (CTS) were investigated using photoluminescence (PL) spectroscopy. A CTS thin film was prepared on a soda-lime glass/molybdenum substrate by thermal co-evaporation and sulfurization. The crystal structure was determined to be monoclinic, and the compositional ratios of Cu/Sn and S/Metal were determined to be 1.8 and 1.2, respectively. The photon energy of the PL spectra observed from the CTS thin film was lower than that previously reported. All fitted PL peaks were associated with defect related luminescence. The PL peaks observed at 0.843 and 0.867 eV were assigned to donor-acceptor pair recombination luminescence, the thermal activation energies of which were determined to be 22.9 and 24.8 meV, respectively.

  8. 1-Nitro-4-(4-nitro-phen-oxy)benzene: a second monoclinic polymorph.

    PubMed

    Naz, Mehwish; Akhter, Zareen; McKee, Vickie; Nadeem, Arif

    2013-11-01

    In the title compound, C12H8N2O5, the aromatic rings are inclined to one another by 56.14 (7)°. The nitro groups are inclined by to the benzene rings to which they are attached by 3.86 (17) and 9.65 (15)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming a three-dimensional structure. The title compound is a new monoclinic polymorph, crystallizing in space group P21/c. The first polymorph crystallized in space group C2/c and the mol-ecule possesses twofold rotation symmetry. Two low-temperature structures of this polymorph (150 K and 100 K, respectively) have been reported [Meciarova et al. (2004). Private Communication (refcode IXOGAD). CCDC, Cambridge, England, and Dey & Desiraju (2005). Chem. Commun. pp. 2486-2488]. PMID:24454202

  9. Boron-tuning transition temperature of vanadium dioxide from rutile to monoclinic phase

    SciTech Connect

    Zhang, J. J.; He, H. Y.; Xie, Y.; Pan, B. C.

    2014-11-21

    The effect of the doped boron on the phase transition temperature between the monoclinic phase and the rutile phase of VO{sub 2} has been studied by performing first-principles calculations. It is found that the phase transition temperature decreases linearly with increasing the doping level of B in each system, no matter where the B atom is in the crystal. More importantly, the descent of the transition temperature is predicted to be as large as 83 K/at. % B, indicating that the boron concentration of only 0.5% can cause the phase transition at room temperature. These findings provide a new routine of modulating the phase transition of VO{sub 2} and pave a way for the practicality of VO{sub 2} as an energy-efficient green material.

  10. Paleomagnetic and structural evidence for oblique slip in a fault-related fold, Grayback monocline, Colorado

    USGS Publications Warehouse

    Tetreault, J.; Jones, C.H.; Erslev, E.; Larson, S.; Hudson, M.; Holdaway, S.

    2008-01-01

    Significant fold-axis-parallel slip is accommodated in the folded strata of the Grayback monocline, northeastern Front Range, Colorado, without visible large strike-slip displacement on the fold surface. In many cases, oblique-slip deformation is partitioned; fold-axis-normal slip is accommodated within folds, and fold-axis-parallel slip is resolved onto adjacent strike-slip faults. Unlike partitioning strike-parallel slip onto adjacent strike-slip faults, fold-axis-parallel slip has deformed the forelimb of the Grayback monocline. Mean compressive paleostress orientations in the forelimb are deflected 15??-37?? clockwise from the regional paleostress orientation of the northeastern Front Range. Paleomagnetic directions from the Permian Ingleside Formation in the forelimb are rotated 16??-42?? clockwise about a bedding-normal axis relative to the North American Permian reference direction. The paleostress and paleomagnetic rotations increase with the bedding dip angle and decrease along strike toward the fold tip. These measurements allow for 50-120 m of fold-axis-parallel slip within the forelimb, depending on the kinematics of strike-slip shear. This resolved horizontal slip is nearly equal in magnitude to the ???180 m vertical throw across the fold. For 200 m of oblique-slip displacement (120 m of strike slip and 180 m of reverse slip), the true shortening direction across the fold is N90??E, indistinguishable from the regionally inferred direction of N90??E and quite different from the S53??E fold-normal direction. Recognition of this deformational style means that significant amounts of strike slip can be accommodated within folds without axis-parallel surficial faulting. ?? 2008 Geological Society of America.

  11. Cadmium Stabilization Efficiency and Leachability by CdAl4O7 Monoclinic Structure.

    PubMed

    Su, Minhua; Liao, Changzhong; Chuang, Kui-Hao; Wey, Ming-Yen; Shih, Kaimin

    2015-12-15

    This study investigated the stabilization efficiencies of using an aluminum-rich precursor to incorporate simulated cadmium-bearing waste sludge and evaluated the leaching performance of the product phase. Cadmium oxide and γ-alumina mixtures with various Cd/Al molar ratios were fired at 800-1000 °C for 3 h. Cadmium could be crystallochemically incorporated by γ-alumina into CdAl4O7 monoclinic phase and the reaction was strongly controlled by the treatment temperature. The crystal structure details of CdAl4O7 were solved and refined with the Rietveld refinement method. According to the structural refinement results, the stabilization efficiencies were quantified and expressed as a transformation ratio (TR) with optimized processing parameters. The preferred treatment temperature was found to be 950 °C for mixtures with a Cd/Al molar ratio of 1/4, as its TR value indicated the cadmium incorporation was nearly completed after a 3 h treatment scheme. Constant-pH leaching tests (CPLT) were conducted by comparing the leachability of the CdO and CdAl4O7 phases in a pH 4.0 environment. A remarkable reduction in cadmium leachability could be achieved via monoclinic CdAl4O7 structure formation to effectively stabilize hazardous cadmium in the waste stream. The CPLT and X-ray photoelectron spectroscopy (XPS) results suggested incongruent dissolution behavior during the leaching of the CdAl4O7 phase. PMID:26512873

  12. Computing the melting point and thermodynamic stability of the orthorhombic and monoclinic crystalline polymorphs of the ionic liquid 1-n-butyl-3-methylimidazolium chloride

    NASA Astrophysics Data System (ADS)

    Jayaraman, Saivenkataraman; Maginn, Edward J.

    2007-12-01

    The melting point, enthalpy of fusion, and thermodynamic stability of two crystal polymorphs of the ionic liquid 1-n-butyl-3-methylimidazolium chloride are calculated using a thermodynamic integration-based atomistic simulation method. The computed melting point of the orthorhombic phase ranges from 365 to 369 K, depending on the classical force field used. This compares reasonably well with the experimental values, which range from 337 to 339 K. The computed enthalpy of fusion ranges from 19 to 29 kJ/mol, compared to the experimental values of 18.5-21.5 kJ/mol. Only one of the two force fields evaluated in this work yielded a stable monoclinic phase, despite the fact that both give accurate liquid state densities. The computed melting point of the monoclinic polymorph was found to be 373 K, which is somewhat higher than the experimental range of 318-340 K. The computed enthalpy of fusion was 23 kJ/mol, which is also higher than the experimental value of 9.3-14.5 kJ/mol. The simulations predict that the monoclinic form is more stable than the orthorhombic form at low temperature, in agreement with one set of experiments but in conflict with another. The difference in free energy between the two polymorphs is very small, due to the fact that a single trans-gauche conformational difference in an alkyl sidechain distinguishes the two structures. As a result, it is very difficult to construct simple classical force fields that are accurate enough to definitively predict which polymorph is most stable. A liquid phase analysis of the probability distribution of the dihedral angles in the alkyl chain indicates that less than half of the dihedral angles are in the gauche-trans configuration that is adopted in the orthorhombic crystal. The low melting point and glass forming tendency of this ionic liquid is likely due to the energy barrier for conversion of the remaining dihedral angles into the gauche-trans state. The simulation procedure used to perform the melting point

  13. Batteries: encapsulated monoclinic sulfur for stable cycling of li-s rechargeable batteries (adv. Mater. 45/2013).

    PubMed

    Moon, San; Jung, Young Hwa; Jung, Wook Ki; Jung, Dae Soo; Choi, Jang Wook; Kim, Do Kyung

    2013-12-01

    On page 6547 Do Kyung Kim, Jang Wook Choi and co-workers describe a highly aligned and carbon-encapsulated sulfur cathode synthesized with an AAO template that exhibits a high and long cycle life, and the best rate capability based on the complete encapsulation of sulfur (physical) and implementation of the monoclinic sulfur phase (chemical). PMID:24302601

  14. Optical phonon modes and infrared dielectric properties of monoclinic CoWO4 microcrystals

    NASA Astrophysics Data System (ADS)

    Moreira, Roberto L.; Almeida, Rafael M.; Siqueira, Kisla P. F.; Abreu, Cintia G.; Dias, Anderson

    2016-02-01

    The phonon characteristics of CoWO4 microcrystals with monoclinic Wolframite structure were investigated by far-infrared (IR) and Raman spectroscopies. Near-normal spectra were taken for IR light polarization along the principal b-axis (A u modes) and along several angles within the ac-plane (B u modes). The IR spectra were analyzed with a generalized Drude-Lorentz model, and all predicted polar phonon modes were fully determined, including their symmetries, the dielectric Lorentz parameters and the non-orthogonal phonon polarizations for the B u modes. Anomalous dispersion and negative values for the real and imaginary parts of the off-diagonal components of the dielectric tensor functions were identified and discussed under the light of the varying phonon polarization directions (spread out in the ac-plane). The obtained static and background dielectric tensors gave an average permittivity of 16.1 (at microwave region), refractive indices along the principal dielectric axes of 2.22, 2.33 and 2.44 (at 1 μm), the optical axes, and an estimated value for the biaxial angle of the crystal. Polarized Raman spectra on appropriate scattering configurations revealed the 18 non-polar gerade phonons of CoWO4 crystals, with their correct symmetries attributed.

  15. Luminescence properties of monoclinic Cu{sub 4}I{sub 4}(Piperidine){sub 4}

    SciTech Connect

    Jalilian, Ehsan; Liao, Rong-Zhen; Himo, Fahmi; Lidin, Sven

    2011-08-15

    Highlights: {yields} A new modification of Cu{sub 4}I{sub 4}Pip{sub 4} has been produced under hydrothermal conditions. {yields} This modification have fluorescence properties when it is exposed to UV light. {yields} The fluorescence properties was characterized with fluorescence spectrophotometer. {yields} Quantum mechanical calculations was also performed. -- Abstract: A new modification of Cu{sub 4}I{sub 4}Pip{sub 4} has been synthesized under hydrothermal conditions. X-ray crystallography revealed that this compound crystallized in the monoclinic system and consists of a tetrahedral core with composition Cu{sub 4}I{sub 4}, in which each Cu atom is coordinated by a piperidine molecule via the N atom. In contrast to a previously reported modification of Cu{sub 4}I{sub 4}Pip{sub 4}, the present modification shows luminescent properties when exposed to UV-light. In addition, we have used time-dependent density functional theory calculations to characterize both compounds in term of both absorption and emission.

  16. A new crystal phase of ammonium nitrate: a monoclinic distortion of AN-IV

    NASA Astrophysics Data System (ADS)

    Oleynik, Ivan; Steele, Brad

    2015-06-01

    Ammonium nitrate (AN) is a major component of the energetic material ANFO. It is important to understand the high-pressure crystal phases and corresponding phase transitions of AN as its structural polymorphism might affect the energetic performance, including crystal density, detonation velocity and shock initiation of chemical reactions. A new crystal phase of AN is found using first principles evolutionary crystal structure search. It is a monoclinic distortion of phase IV of AN (AN-IV) in the P21/m space group (AN-P21/m). The calculated Raman spectrum of this new phase is consistent with the recently reported experimental Raman spectrum that contains two peaks at high pressures associated with the phase transition. The new phase is calculated to have lower free energy than AN-IV above 11.2 GPa, a pressure close to the experimentally reported phase transition pressure of 17 GPa. The calculated Raman spectra of both AN-P21/m and AN-IV as a function of pressure display good agreement with experiment up to 40 GPa.

  17. Monoclinic phase transformations of zirconia-based dental prostheses, induced by clinically practised surface manipulations.

    PubMed

    Mochales, C; Maerten, A; Rack, A; Cloetens, P; Mueller, W D; Zaslansky, P; Fleck, C

    2011-07-01

    Full-ceramic zirconia crowns and bridges have become very popular with dentists and patients because of their excellent esthetics and mechanical properties. We studied phase transformations within the outermost surface layer of 3 mol.% yttria-stabilized zirconia (Y-TZP) samples of small, clinically relevant thicknesses, manipulated by polishing, grinding and fracture as might be encountered in everyday clinical practice. Stress-induced transformations of the tetragonal phase were studied in three dimensions in order to better understand the organization and extent of the monoclinically transformed phase. By means of laboratory- and synchrotron-based X-ray diffraction measurements, coupled with electron microscopy and multimodal tomography, it was possible for the first time to visualize and quantify the phase distributions non-destructively and in three dimensions. Highly variable degrees of local transformation result in ragged transformed zones of very inhomogeneous thickness. The overall thickness of the transformation layers strongly depends on the severity and rate of loading. Gentle diamond cutting resulted in surprisingly low transformation ratios of less than 0.1%. When Y-TZP constructions are manipulated before bonding, toughness of the outer layers is reduced and they may become brittle with important implications for the stability of the bond: dental practitioners thus need to be cautious when altering the surfaces of these materials after sintering. PMID:21515417

  18. Water and carbon oxides on monoclinic zirconia: experimental and computational insights.

    PubMed

    Kouva, Sonja; Andersin, Jenni; Honkala, Karoliina; Lehtonen, Juha; Lefferts, Leon; Kanervo, Jaana

    2014-10-14

    Zirconium oxide (ZrO2, zirconia) is an interesting catalytic material to be used in biomass conversion, e.g., gasification and reforming. In this work, we show that reducing and hydrating pretreatments affect the surface sites on monoclinic zirconia. The multitechnique approach comprises temperature-programmed surface reactions (TPSR) under CO and CO2 at 100-550 °C, in situ DRIFTS investigations of the surface species and density functional theory (DFT) calculations. The key findings of the work are: (1) formates are formed either directly from gas-phase CO on terminal surface hydroxyls or via the linear CO surface species that are found exclusively on the reduced zirconia without water treatment; (2) formates are able to decompose at high temperature either reversibly to CO or reductively to CO2 and H2via surface reaction between formates and multicoordinated hydroxyls; and (3) a new weak reversible binding state of CO is found exclusively on ZrO2 that is first reduced and subsequently hydrated. PMID:25157444

  19. Pressure induced tetragonal to monoclinic transition in RbN3 studied from first principles theory

    NASA Astrophysics Data System (ADS)

    Vaitheeswaran, G.; Babu, K. Ramesh

    2014-04-01

    Alkali metal azides are well known for their application as explosives and gas generators. They are used as precursors in synthesis of polymeric nitrogen, an ultimate green high energy density material. Among the alkali metal azides, rubidium azide RbN3 crystallizes in tetragonal structure with linear azide ions arranged in layers and binds through weak dispersive interactions. In this present work, we have studied the structural stability, electronic structure and optical properties of solid RbN3 by using van der Waals corrected density functional theory. We find that the ambient tetragonal structure undergoes a structural transition to monoclinic structure at 0.72 GPa, which is in good agreement with the experimental transition pressure of less than 1 GPa. The phonon frequencies at the gamma point are calculated and found that the lattice mode Eg softens under pressure which may supports the structural phase transition. The electronic band structure and optical properties are calculated by using Tran Blaha-modified Becke Johnson (TB-mBJ) functional and found that solid RbN3 is an insulator with a gap of 5.976 eV and the optical absorption starts with the UV light of wave length 207.5 nm.

  20. Dopant and carrier concentration in Si in equilibrium with monoclinic SiP precipitates

    NASA Astrophysics Data System (ADS)

    Solmi, S.; Parisini, A.; Angelucci, R.; Armigliato, A.; Nobili, D.; Moro, L.

    1996-03-01

    The behavior of silicon slices very heavily implanted (1.5×1017 cm-2) with phosphorus was investigated by transmission electron microscopy and secondary neutral mass spectrometry (SNMS) after annealing at 800, 850, 900, and 1000 °C. Precipitation of large monoclinic, and partially orthorhombic, SiP particles takes place in the most heavily doped region. From the shape of the SNMS profiles in the dissolution stage of these precipitates, we determined the concentration Csat of P in equilibrium with the conjugate phase: Csat=2.45×1023exp(-0.62/kT) cm-3. This concentration has to be compared with the equilibrium concentration ne of the electrically active dopant. To this end, more accurate determinations of ne were performed on heavily P-doped polysilicon films. It was found that ne=1.3×1022exp(-0.37/kT) cm-3. Hence for T>~750 °C, Csat exceeds ne and the concentration (Csat-ne) of inactive mobile P increases with temperature. The formation and the diffusion behavior of this inactive dopant are in keeping with a preprecipitation phenomenon.

  1. Bis[2-(hy-droxy-imino-meth-yl)phenolato]nickel(II): a second monoclinic polymorph.

    PubMed

    Rusanova, Julia A; Buvaylo, Elena A; Rusanov, Eduard B

    2011-01-01

    The title compound, [Ni(C(7)H(6)NO(2))(2)], (I), is a second monoclinic polymorph of the compound, (II), reported by Srivastava et al. [Acta Cryst. (1967), 22, 922] and Mereiter [Private communication (2002) CCDC refcode NISALO01]. The bond lengths and angles are similar in both structures. The mol-ecule in both structures lies on a crystallographic inversion center and both have an inter-nal hydrogen bond. The title compound crystallizes in the space group P2(1)/c (Z = 2), whereas compound (II) is in the space group P2(1)/n (Z = 2) with a similar cell volume but different cell parameters. In both polymorphs, mol-ecules are arranged in the layers but in contrast to the previously published compound (II) where the dihedral angle between the layers is 86.3°, in the title polymorph the same dihedral angle is 29.4°. The structure of (I) is stabilized by strong intra-molecular O-H⋯O hydrogen bonding between the O-H group and the phenolate O atom. PMID:21522882

  2. Experimental and Theoretical Studies on a High Pressure Monoclinic Phase of Ammonia Borane

    SciTech Connect

    Lin, Yu; Ma, Hongwei; Matthews, Charles Wesley; Kolb, Brian; Sinogeikin, Stanislav; Thonhauser, Timo; Mao, Wendy L.

    2012-03-15

    The effect of pressure on the structure of ammonia borane NH{sub 3}BH{sub 3} (AB) was investigated using a combination of high pressure X-ray diffraction (XRD) and density functional theory (DFT). In situ XRD was performed up to 15.0 GPa at room temperature in a diamond anvil cell, and two first-order phase transitions were observed at 1.6 and 12.9 GPa. The ambient pressure I4mm structure transformed into the high pressure Cmc2{sub 1} phase at 1.6 GPa, and then experienced a second-order isostructural phase transition at 5 GPa, and further developed into a monoclinic P2{sub 1} (Z = 4) phase at 12.9 GPa. The structure of the high pressure P2{sub 1} phase was solved by powder diffraction data and further optimized using DFT calculations. The high pressure phase transitions were found to be reversible upon releasing pressure. The behavior of the N-H {hor_ellipsis} H-B dihydrogen bonding framework, inter- and intramolecular interactions at high pressure was also investigated. The origin of the phase transition at 12.9 GPa is attributed to the reorganization of the dihydrogen bonding network and the change in the rotational dynamics of the NH{sub 3} and BH{sub 3} groups.

  3. Synthesis of monoclinic IrT e2 under high pressure and its physical properties

    NASA Astrophysics Data System (ADS)

    Li, X.; Yan, J.-Q.; Singh, D. J.; Goodenough, J. B.; Zhou, J.-S.

    2015-10-01

    In a pressure-temperature (P -T ) diagram for synthesizing IrT e2 compounds, the well-studied trigonal (H ) phase with the Cd I2 -type structure is stable at low pressures. The superconducting cubic (C ) phase can be synthesized under higher temperatures and pressures. A rhombohedral phase with the crystal structure similar to the C phase can be made at ambient pressure; but the phase contains a high concentration of Ir deficiency. In this paper we report that a rarely studied monoclinic (M ) phase can be stabilized in narrow ranges of pressure and temperature in this P -T diagram. The peculiar crystal structure of the M -IrT e2 eliminates the tendency to form Ir-Ir dimers found in the H phase. The M phase has been fully characterized by structural determination and measurements of electrical resistivity, thermoelectric power, DC magnetization, and specific heat. These physical properties have been compared with those in the H and C phases of I r1 -xT e2 . Moreover, magnetic and transport properties and specific heat of the M -IrT e2 can be fully justified by calculations with the density-functional theory presented in this paper.

  4. New phase of ammonium nitrate: A monoclinic distortion of AN-IV

    NASA Astrophysics Data System (ADS)

    Steele, Brad A.; Oleynik, Ivan I.

    2015-12-01

    A new phase of ammonium nitrate (AN) is found using first principles evolutionary crystal structure search. It is this polymorph that is associated with the phase transition to previously unidentified phase, which was detected in experiment at 17 GPa upon appearance of the two extra peaks in Raman spectrum. The new phase has a monoclinic unit cell in the P21/m space group symmetry (AN-P21/m) and is similar to the known phase IV of AN (AN-IV) except the ammonium molecules are oriented differently relative to the nitrate molecules. The calculated free energy of AN-P21/m is found to be lower than AN-IV at pressures above 10.83 GPa. The equation of state of both AN-P21/m and AN-IV phases (volume vs hydrostatic pressure at room temperature) has been obtained within the quasi-harmonic approximation. The calculated Raman spectrum of both AN-P21/m and AN-IV as a function of pressure is in a good agreement with experiment. The energetic competitiveness of AN-IV and AN-P21/m at ambient conditions suggests a possibility of the phase transition in a small pressure-temperature range near ambient pressure and temperature.

  5. Microsphere morphology tuning and photo-luminescence properties of monoclinic Y2WO6

    NASA Astrophysics Data System (ADS)

    Gao, Hong; Bai, Yulong; Zhang, Junying; Tang, Zilong

    2015-04-01

    Effects of the solution pH value and reaction time on the precursor morphology and photoluminescence properties are investigated for hydrothermally prepared monoclinic Y2WO6 phosphors. In the near-neutral environment, sodium dodecyl benzene sulfonate (SDBS) surfactant forms small microspheres micelles as template to synthesize microspherical precursor. H+ ions concentration affects the arrangement of negative ionic surfactant SDBS. As a result, jujube-liked and popcorn-like loose microspheres formed at low pH value. When the pH value is 5.2 and the hydrothermal reaction time reaches 24 h, respectively, the strongest luminescent intensity can be obtained. Under this condition, the precursor presented regular microsphere with diameter of 4.0 μm. After high-temperature heat treatment, the obtained phosphor particles still exhibit microsphere-like shape. Therefore, we provide an effective method to tune the morphology of Y2WO6 phosphors and study the relationship between morphology and luminescent performance.

  6. Electron-Injection-Assisted Generation of Oxygen Vacancies in Monoclinic HfO2

    NASA Astrophysics Data System (ADS)

    Bradley, Samuel R.; Shluger, Alexander L.; Bersuker, Gennadi

    2015-12-01

    Understanding the mechanisms of generation of oxygen vacancies in monoclinic (m )-HfO2 is important for improving and controlling its performance as an oxide layer in transistor gate stacks and in resistive random-access memory (RRAM) devices. We use ab initio calculations to investigate the mechanism of formation of Frenkel pairs of oxygen vacancies and interstitial ions in m -HfO2 under electron-injection conditions. The results demonstrate that the formation of stable pairs of neutral oxygen vacancies and interstitial oxygen ions assisted by extra electrons is thermodynamically feasible and requires overcoming activation barriers of less than 1.3 eV at preexisting O vacancies. A preexisting oxygen vacancy can act as an electron trap and facilitate the formation of an O vacancy and O interstitial ion pair nearby. The resulting O divacancy is stabilized by weak attraction between neutral vacancies, further lowering the formation energy of the defect pair. The binding energy per vacancy in larger oxygen-vacancy aggregates increases as the aggregate grows, facilitating the formation of defect pairs next to larger vacancy aggregates. These results are useful for understanding the mechanisms of oxide degradation and electroforming in RRAM cells, which can proceed through creation of new O vacancies in the vicinity of preexisting vacancies complementing vacancy aggregation via diffusion processes.

  7. Fabrication of hierarchically ordered porous scheelite-related monoclinic BiVO4 nanotubes by electrochemical deposition

    NASA Astrophysics Data System (ADS)

    Davi, Martin; Peter, Sebastian; Slabon, Adam

    2016-04-01

    Scheelite-related monoclinic BiVO4 is one of the most promising metal oxide photoanode materials. It is therefore highly desirable to explore its new nanostructured morphologies in order to achieve higher performance. We present a new method for the fabrication of porous BiVO4 nanotubes. Powder XRD experiments show that the electrodeposited BiVO4 nanotubes crystallize in the scheelite-related monoclinic phase. The produced BiVO4 nanotubes are highly hierarchically ordered and aligned perpendicular to the electrically conductive substrate. The nanostructures were produced by template-assisted electrochemical deposition inside porous anodized alumina oxide. Our method may be extended to other semiconductor materials used in photoelectrochemical systems, such as Bi2WO6 and γ-Bi2MoO6.

  8. Second monoclinic polymorph of 4-[(1H-benzimidazol-1-yl)meth­yl]benzoic acid

    PubMed Central

    Kuai, Hai-Wei; Cheng, Xiao-Chun

    2011-01-01

    Recently, we reported the first monoclinic [Kuai & Cheng (2011). Acta Cryst., E67, o2787] and the ortho­rhom­bic polymorph [Kuai & Cheng (2011). Acta Cryst., E67, o3014] of the title compound, C15H12N2O2. Another monoclinic polymorph was obtained accidentally by the hydro­thermal reaction of the title compound with manganese chloride in the presence of potassium hydroxide at 413 K. The asymmetric unit consists of four independent mol­ecules. In the crystal, O—H⋯N hydrogen bonds link the independent mol­ecules into four separate chains parallel to the b axis. PMID:22199726

  9. Diffraction anisotropy falloff in the direction of the detergent belt for two centered monoclinic crystals of OmpF

    PubMed Central

    Chaptal, Vincent; Kilburg, Arnaud; Flot, David; Wiseman, Benjamin; Aghajari, Nushin; Jault, Jean-Michel; Falson, Pierre

    2016-01-01

    This data article describes the anisotropy of diffraction observed for the centered monoclinic crystals of OmpF reported in “Two different centered monoclinic crystals of the E. coli outer-membrane protein OmpF originate from the same building block (Chaptal et al., 2016 [1])”. The datasets intensity falloff as a function of resolution are provided along with reflections along the (h,l) and (k,l) planes. A comparison with the crystal packing in the real cell is also provided, with the correspondence to the reciprocal vectors. These data can be retrieved from the Protein Data Bank under accession codes PDB: 4jfb and PDB: 4d5u. PMID:27054185

  10. Influence of downsizing of zeolite crystals on the orthorhombic ↔ monoclinic phase transition in pure silica MFI-type

    NASA Astrophysics Data System (ADS)

    Kabalan, Ihab; Michelin, Laure; Rigolet, Séverinne; Marichal, Claire; Daou, T. Jean; Lebeau, Bénédicte; Paillaud, Jean-Louis

    2016-08-01

    The impact of crystal size on the transition orthorhombic ↔ monoclinic phase in MFI-type purely silica zeolites is investigated between 293 and 473 K using 29Si MAS NMR and powder X-ray diffraction. Three silicalite-1 zeolites are synthesized: a material constituted of micron-sized crystals, pseudospherical nanometer-sized crystals and hierarchical porous zeolites with a mesoporous network created by the use of a gemini-type diquaternary ammonium surfactant giving nanosheet zeolites. Our results show for the first time that the orthorhombic ↔ monoclinic phase transition already known for micron-sized particles also occurs in nanometer-sized zeolite crystals whereas our data suggest that the extreme downsizing of the zeolite crystal to one unit cell in thickness leads to an extinction of the phase transition.

  11. Diffraction anisotropy falloff in the direction of the detergent belt for two centered monoclinic crystals of OmpF.

    PubMed

    Chaptal, Vincent; Kilburg, Arnaud; Flot, David; Wiseman, Benjamin; Aghajari, Nushin; Jault, Jean-Michel; Falson, Pierre

    2016-06-01

    This data article describes the anisotropy of diffraction observed for the centered monoclinic crystals of OmpF reported in "Two different centered monoclinic crystals of the E. coli outer-membrane protein OmpF originate from the same building block (Chaptal et al., 2016 [1])". The datasets intensity falloff as a function of resolution are provided along with reflections along the (h,l) and (k,l) planes. A comparison with the crystal packing in the real cell is also provided, with the correspondence to the reciprocal vectors. These data can be retrieved from the Protein Data Bank under accession codes PDB: 4jfb and PDB: 4d5u. PMID:27054185

  12. Analysis of tetragonal to monoclinic phase transformation caused by accelerated artificial aging and the effects of microstructure in stabilized zirconia

    NASA Astrophysics Data System (ADS)

    Lucas, Thomas J.

    This investigation addresses the issue that yttria stabilized zirconia is being used as a dental biomaterial without substantial evidence of its long-term viability. Furthermore, stabilized zirconia (SZ) undergoes low temperature degradation (LTD), which can lead to roughening of the surface. A rougher exterior can lead to increased wear of the antagonist in the oral environment. Despite the LTD concerns, SZ is now widely used in restorative dentistry, including full contour crowns. A comparison of aging methods to determine the role of artificial aging on inducing the transformation has not been extensively studied. Therefore, simulations of the transformation process were investigated by comparing different methods of accelerated aging. The rejected null hypothesis is that the temperature of aging treatment will not affect the time required to cause measurable monoclinic transformation of yttria stabilized zirconia. The transformation of SZ starts at the surface and progresses inward; however, it is unclear whether the progression is constant for different aging conditions. This investigation analyzed the depth of transformation as a function of aging conditions for stabilized zirconia in the top 5-6 mum from the surface. The rejected null hypothesis is that the transformation amount is constant throughout the first six micrometers from the surface. The effects of grain size on the amount of monoclinic transformation were also investigated. This study aimed to determine if the grain size of partially stabilized zirconia affects the amount of monoclinic transformation, surface roughness, and property degradation due to aging. The rejected null hypothesis is that the grain size will not affect the amount of monoclinic transformation, thus have no effect on surface roughening or property degradation. The final part of this study addresses the wear of enamel when opposing zirconia by observing how grain size and aging affected the wear rate of an enamel antagonist

  13. Monoclinic phase of boron nitride appearing during the hexagonal cubic phase transition at high pressure and high temperature

    NASA Astrophysics Data System (ADS)

    Horiuchi, Shigeo; He, Lian-Long; Onoda, Mitsuko; Akaishi, Minoru

    1996-01-01

    Fine structures appearing on the phase transition from h (hexagonal) to c (cubic) boron nitride under high pressure (7.7 GPa) and high temperature (1800-2150 °C) are examined by high-resolution transmission electron microscopy. A prominent contraction of the interplanar spacing between sp2 sheets from 3.33 to 3.10 Å in so-called ``compressed h-BN'' is attributable to a monoclinic lattice distortion of the residual h-BN, which originates from the difference in the compressibility as well as the thermal expansion between adjoining h- and c-BN grains. The parameters of the monoclinic unit cell are am=4.33, bm=2.50, cm=3.1-3.3 Å, and β=92-95°. Thin plates of h-BN are often folded and the folding also causes the monoclinic structure. The sheet sequence of r (rhombohedral)-BN locally appears when the strong volume shrinkage occurs due to the formation of a c-BN grain. Nanoscale twins appear in resulting c-BN grains, as long as they are small, and w (wurzite)-BN is sometimes included in them.

  14. Photocatalytic and photoelectrochemical water oxidation over metal-doped monoclinic BiVO(4) photoanodes.

    PubMed

    Parmar, Kanak Pal Singh; Kang, Hyun Joon; Bist, Amita; Dua, Piyush; Jang, Jum Suk; Lee, Jae Sung

    2012-10-01

    The visible-light-induced water oxidation ability of metal-ion-doped BiVO(4) was investigated and of 12 metal ion dopants tested, only W and Mo dramatically enhanced the water photo-oxidation activity of bare BiVO(4); Mo had the highest improvement by a factor of about six. Thus, BiVO(4) and W- or Mo-doped (2 atom %) BiVO(4) photoanodes about 1 μm thick were fabricated onto transparent conducting substrate by a metal-organic decomposition/spin-coating method. Under simulated one sun (air mass 1.5G, 100 mW cm(-2)) and at 1.23 V versus a reversible hydrogen electrode, the highest photocurrent density (J(PH)) of about 2.38 mA cm(-2) was achieved for Mo doping followed by W doping (J(PH) ≈ 1.98 mA cm(-2)), whereas undoped BiVO(4) gave a J(PH) value of about 0.42 mA cm(-2). The photoelectrochemical water oxidation activity of W- and Mo-doped BiVO(4) photoanodes corresponded to the incident photon to current conversion efficiency of about 35 and 40 % respectively. Electrochemical impedance spectroscopy and Mott-Schottky analysis indicated a positive flat band shift of about 30 mV, a carrier concentration 1.6-2 times higher, and a charge-transfer resistance reduced by 3-4-fold for W- or Mo-doped BiVO(4) relative to undoped BiVO(4). Electronic structure calculations revealed that both W and Mo were shallow donors and Mo doping generated superior conductivity to W doping. The photo-oxidation activity of water on BiVO(4) photoanodes (undopedmonoclinic BiVO(4) by drastically reducing its charge-transfer resistance and thereby minimizing photoexcited electron-hole pair recombination. PMID:22927058

  15. Method of forming high density oxide pellets by hot pressing at 50$sup 0$ to 100$sup 0$C above the cubic to monoclinic phase transformation temperature

    DOEpatents

    Pasto, A.E.

    1975-08-01

    A process for low temperature sintering of rare earth and actinide oxides which have a cubic to monoclinic transformation is described. The process involves hot pressing a powder compact at a temperature just above the transformation temperature. (auth)

  16. Gold network structures in rhombohedral and monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A transition via relaxation.

    PubMed

    Mishra, Trinath; Lin, Qisheng; Corbett, John D

    2013-12-01

    Quantitative syntheses, structure determinations and interpretations, and band calculations are reported for the nonstoichiometric rhombohedral (R3c) and monoclinic (C2/c) Sr2Au6(Au(3-x)T(x)) (T = Zn, Ga) compounds. Several different compositions of the two Sr phases were similarly refined from single crystal X-ray diffraction data as R3c: a ≈ 8.43 Å, c ≈ 21.85 Å, Z = 6 and C2/c: a ≈ 14.70 Å, b ≈ 8.47 Å, c ≈ 8.70 Å, β ≈ 123.2°, Z = 4. The R3c Zn phase is stable in the composition region x ∼ 2.5-2.9 whereas its C2/c neighbor is the major product at x ∼ 2.2-2.3. Gallium versions of both were also identified. Both R3c and C2/c structural types contain hexagonal-diamond-like gold superlattices stuffed with strings of interstitial Sr and disordered triangular (Au,T)3 units. The latter space group is a maximal, nonisomorphic subgroup of the former, and the decrease in interstitial radius from Ba to Sr (∼0.08 Å experimentally) evidently drives the symmetry reduction, relaxation, and small distortions, principally around the Sr sites. Au-Au bonding among the Au hexagons in the host lattices and with gold components in the triangular interstitials is dominant and reflected in their tight packing and short interatomic separations. PMID:24215108

  17. Template-Engaged In Situ Synthesis of Carbon-Doped Monoclinic Mesoporous BiVO4: Photocatalytic Treatment of Rhodamine B

    NASA Astrophysics Data System (ADS)

    Yao, Mingming; Gan, Lihua; Liu, Mingxian; Tripathi, Pranav K.; Liu, Yafei; Hu, Zhonghua

    2015-06-01

    In this paper, carbon-doped monoclinic scheelite mesoporous bismuth vanadate was synthesized through template-engaged in situ method. The bismuth nitrate pentahydrate and ammonia metavanadate were used as bismuth and vanadium precursors, respectively, glucose as carbon source, and mesoporous SiO2 aerogel as a hard template. Carbon-doped monoclinic mesoporous BiVO4 were obtained by heat treatment of BiVO4/glucose/template to carbonize glucose and form monoclinic crystal, followed by etching with NaOH solution to remove the SiO2 template. The samples were characterized by x-ray diffraction, N2 adsorption and desorption, UV-visible spectroscopy, Energy dispersive spectrometry, Raman spectroscopy, and Transmission electron microscopy. It was found that the sample with a carbon content of 0.5 wt.% possesses a specific surface area of 10.2 m2/g and has mesoporous structure with the most probable pore size of 13.9 nm. The band gap of carbon-doped monoclinic mesoporous BiVO4 was estimated to be 2.33 eV, indicating the superior photocatalytic activity under visible light. The photocatalytic efficiency of carbon-doped monoclinic mesoporous BiVO4 for the degradation of Rhodamine B under visible light (λ > 400 nm) in 120 min reaches 98.7%, Besides, the carbon-doped monoclinic mesoporous BiVO4 photocatalyst still showed high stability: 85% for Rhodamine B degradation after ten recycles.

  18. Theoretical investigations of EPR g factors for Ce3+ ion at monoclinic Cs site in YAlO3 crystal

    NASA Astrophysics Data System (ADS)

    Liu, Hong-Gang; Zheng, Wen-Chen

    2015-01-01

    Three EPR principal g values (gx, gy and gz) for monoclinic (Cs) Ce3+ center in YAlO3 crystal are calculated by the complete diagonalization (of energy matrix) method (CDM) based on the superposition model (SPM) analysis. The calculated g factors are more reasonably closer to experimental results reported by Asatryan et al. (2002) than their same work in 1997. The reliability of fitted crystal-field parameters of YAP:Ce3+ crystal is also analyzed. In SPM calculations, the seeming abnormal negative power-law exponent t6 is found to be actually reasonable and its underlying cause may be explained by future ab initio studies.

  19. Neutron diffraction study of monoclinic brannerite-type CoV{sub 2}O{sub 6}

    SciTech Connect

    Markkula, Mikael; Arevalo-Lopez, Angel M.; Paul Attfield, J.

    2012-08-15

    A variable-temperature powder neutron diffraction study of the monoclinic brannerite-type CoV{sub 2}O{sub 6} (space group C2/m, a=9.2531(2), b=3.5040(1), c=6.6201(1) A and {beta}=111.617(1) Degree-Sign at 300 K) is reported. No structural transition is observed down to 4 K, but a magnetostriction accompanying antiferromagnetic order at T{sub N}=15 K is discovered. Antiferromagnetic order observed below T{sub N} has an a Multiplication-Sign b Multiplication-Sign 2c supercell in which Co{sup 2+} moments of magnitude 4.77(4) {mu}{sub B} at 4 K lie in the ac plane and are ferromagnetically coupled within chains of edge-sharing CoO{sub 6} octahedra parallel to b. Ferromagnetic chains are coupled antiferromagnetically to neighbouring chains in the a and c directions, and a model for the interchain order in the reported 1/3 magnetization plateau region is proposed. - Graphical abstract: Antiferromagnetic order of Co{sup 2+} moments in monoclinic brannerite type CoV2O6 results in a magnetostriction at the 15 K Neel transition. An alternative coupling between ferromagnetic chains is proposed to account for a 1/3 magnetization plateau in this material. Highlights: Black-Right-Pointing-Pointer Variable-temperature powder neutron diffraction study of the monoclinic brannerite-type CoV{sub 2}O{sub 6} is reported. Black-Right-Pointing-Pointer Magnetostriction accompanying antiferromagnetic order at T{sub N}=15 K in monoclinic CoV{sub 2}O{sub 6} is discovered. Black-Right-Pointing-Pointer Antiferromagnetic order in a Multiplication-Sign b Multiplication-Sign 2c supercell of CoV{sub 2}O{sub 6} is determined. Black-Right-Pointing-Pointer Model for spin order in the reported 1/3 magnetization plateau of CoV{sub 2}O{sub 6} is proposed.

  20. Characterization of dislocations in monoclinic hen egg-white lysozyme crystals by synchrotron monochromatic-beam X-ray topography

    NASA Astrophysics Data System (ADS)

    Sawaura, Takuya; Fujii, Daiki; Shen, Mengyuan; Yamamoto, Yu; Wako, Kei; Kojima, Kenichi; Tachibana, Masaru

    2011-03-01

    Dislocations in monoclinic hen egg-white lysozyme crystals were investigated by means of synchrotron monochromatic-beam X-ray topography. The loop and curved dislocations were observed to be predominant in the crystals. Almost all the dislocations lay in (1 0 1¯) crystallographic plane, which corresponds to that with smallest slicing energy estimated by macrobond approach. One of the Burgers vectors of the dislocations was determined to be [0 1 0], which corresponds to the smallest lattice translational vector on the (1 0 1¯) plane. It is suggested that the loop and curved dislocations are slip ones introduced by a stress concentration during or after the growth.

  1. Monoclinic and Correlated Metal Phase in VO2 as Evidence of the Mott Transition: Coherent Phonon Analysis

    NASA Astrophysics Data System (ADS)

    Kim, Hyun-Tak; Lee, Yong Wook; Kim, Bong-Jun; Chae, Byung-Gyu; Yun, Sun Jin; Kang, Kwang-Yong; Han, Kang-Jeon; Yee, Ki-Ju; Lim, Yong-Sik

    2006-12-01

    In femtosecond pump-probe measurements, the appearance of coherent phonon oscillations at 4.5 and 6.0 THz indicating the rutile metal phase of VO2 does not occur simultaneously with the first-order metal-insulator transition (MIT) near 68°C. The monoclinic and correlated metal (MCM) phase between the MIT and the structural phase transition (SPT) is generated by a photoassisted hole excitation, which is evidence of the Mott transition. The SPT between the MCM phase and the rutile metal phase occurs due to subsequent Joule heating. The MCM phase can be regarded as an intermediate nonequilibrium state.

  2. Nanoscale monoclinic domains in epitaxial SrRuO3 thin films deposited by pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Ghica, C.; Negrea, R. F.; Nistor, L. C.; Chirila, C. F.; Pintilie, L.

    2014-07-01

    In this paper, we analyze the structural distortions observed by transmission electron microscopy in thin epitaxial SrRuO3 layers used as bottom electrodes in multiferroic coatings onto SrTiO3 substrates for future multiferroic devices. Regardless of the nature and architecture of the multilayer oxides deposited on the top of the SrRuO3 thin films, selected area electron diffraction patterns systematically revealed the presence of faint diffraction spots appearing in forbidden positions for the SrRuO3 orthorhombic structure. High-resolution transmission electron microscopy (HRTEM) combined with Geometric Phase Analysis (GPA) evidenced the origin of these forbidden diffraction spots in the presence of structurally disordered nanometric domains in the SrRuO3 bottom layers, resulting from a strain-driven phase transformation. The local high compressive strain (-4% ÷ -5%) measured by GPA in the HRTEM images induces a local orthorhombic to monoclinic phase transition by a cooperative rotation of the RuO6 octahedra. A further confirmation of the origin of the forbidden diffraction spots comes from the simulated diffraction patterns obtained from a monoclinic disordered SrRuO3 structure.

  3. Crystal structure of a new monoclinic polymorph of N-(4-methyl-phen-yl)-3-nitro-pyridin-2-amine.

    PubMed

    Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Lee, Vannajan Sanghiran; Tiekink, Edward R T

    2014-08-01

    The title compound, C12H11N3O2, is a second monoclinic polymorph (P21, with Z' = 4) of the previously reported monoclinic (P21/c, with Z' = 2) form [Akhmad Aznan et al. (2010 ▶). Acta Cryst. E66, o2400]. Four independent mol-ecules comprise the asymmetric unit, which have the common features of a syn disposition of the pyridine N atom and the toluene ring, and an intra-molecular amine-nitro N-H⋯O hydrogen bond. The differences between mol-ecules relate to the dihedral angles between the rings which range from 2.92 (19) to 26.24 (19)°. The geometry-optimized structure [B3LYP level of theory and 6-311 g+(d,p) basis set] has the same features except that the entire mol-ecule is planar. In the crystal, the three-dimensional architecture is consolidated by a combination of C-H⋯O, C-H⋯π, nitro-N-O⋯π and π-π inter-actions [inter-centroid distances = 3.649 (2)-3.916 (2) Å]. PMID:25249854

  4. Effect of annealing on down-conversion properties of monoclinic Gd2O3:Er3+ nanophosphors.

    PubMed

    Tamrakar, Raunak Kumar; Bisen, D P; Upadhyay, Kanchan

    2015-09-01

    Erbium-doped nano-sized Gd2O3 phosphor was prepared by a solution combustion method in the presence of urea as a fuel. The phosphor was characterized by X-ray diffractometry (XRD), Fourier transform infra-red spectroscopy, energy dispersive X-ray analysis (EDX) and transmission electron microscopy (TEM). The results of the XRD shows that the phosphor has a monoclinic phase, which was further confirmed by the TEM results. Particle size was calculated by the Debye-Scherrer formula. The erbium-doped Gd2O3 nanophosphor was revealed to have good down-conversion (DC) properties and the intensity of phosphor could be modified by annealing. The effects of annealing at 900°C on the particle size and luminescence properties were studied and compared with freshly prepared Gd2O3:Er(3+) nanoparticles. The average particle sizes were calculated as 8 and 20 nm for the freshly prepared samples and samples annealed at 900°C for 1 h, respectively. The results show that both freshly prepared and annealed Gd2O3:Er(3+) have monoclinic structure. PMID:25529921

  5. Layered Double Hydroxides: Proposal of a One-Layer Cation-Ordered Structure Model of Monoclinic Symmetry.

    PubMed

    Jayanthi, K; Nagendran, Supreeth; Kamath, P Vishnu

    2015-09-01

    Layered double hydroxides are obtained by partial isomorphous substitution of divalent metal ions by trivalent metal ions in the structure of mineral brucite, Mg(OH)2. The widely reported three-layer polytype of rhombohedral symmetry, designated as polytype 3R1, is actually a one-layer polytype of monoclinic symmetry (space group C2/m, a = 5.401 Å, b = 9.355 Å, c = 11.02 Å, β = 98.89°). This structure has a cation-ordered metal hydroxide layer defined by a supercell a = √3 × a0; b = 3 × a0 (a0 = cell parameter of the cation-disordered rhombohedral cell). Successive layers are translated by (1/3, 0, 1) relative to one another. When successive metal hydroxide layers are translated by (2/3, 0, 1) relative to one another, the resultant crystal, also of monoclinic symmetry, generates a powder pattern corresponding to the polytype hitherto designated as 3R2. This structure model not only removes all the anomalies intrinsic to the widely accepted cation-disordered structure but also abides by Pauling's rule that forbids trivalent cations from occupying neighboring sites and suggests that it is unnecessary to invoke rhombohedral symmetry when the metal hydroxide layer is cation ordered. These results have profound implications for the correct description of polytypism in this family of layered compounds. PMID:26267263

  6. Determination of Stress Coefficient Terms in Cracked Solids for Monoclinic Materials with Plane Symmetry at x3 = 0

    NASA Technical Reports Server (NTRS)

    Yuan, F. G.

    1998-01-01

    Determination of all the coefficients in the crack tip field expansion for monoclinic materials under two-dimensional deformation is presented in this report. For monoclinic materials with a plane of material symmetry at x(sub 3) = 0, the in-plane deformation is decoupled from the anti-plane deformation. In the case of in-plane deformation, utilizing conservation laws of elasticity and Betti's reciprocal theorem, together with selected auxiliary fields, T-stress and third-order stress coefficients near the crack tip are evaluated first from path-independent line integrals. To determine the T-stress terms using the J-integral and Betti's reciprocal work theorem, auxiliary fields under a concentrated force and moment acting at the crack tip are used respectively. Through the use of Stroh formalism in anisotropic elasticity, analytical expressions for all the coefficients including the stress intensity factors are derived in a compact form that has surprisingly simple structure in terms of the Barnett-Lothe tensors, L. The solution forms for degenerated materials, orthotropic, and isotropic materials are presented.

  7. Monoclinic phase of the misfit-layered cobalt oxide (Ca 0.85OH) 1.16CoO 2

    NASA Astrophysics Data System (ADS)

    Shizuya, Mitsuyuki; Isobe, Masaaki; Baba, Yuji; Nagai, Takuro; Matsui, Yoshio; Takayama-Muromachi, Eiji

    2006-12-01

    A monoclinic phase of the misfit-layered cobalt oxide (Ca 0.85OH) 1.16CoO 2 was successfully synthesized and characterized. It was found that this new material is a poly-type phase of the orthorhombic form of (CaOH) 1.14CoO 2, recently discovered by the present authors. Both the compounds consist of two interpenetrating subsystems: CdI 2-type CoO 2 layers and rock-salt-type double-atomic-layer CaOH blocks. However, these two phases exhibit a different stacking structure. By powder X-ray and electron diffraction (ED) studies, it was found that the two subsystems of (Ca 0.85OH) 1.16CoO 2 have c-centered monoclinic Bravais lattices with common a=4.898 Å, c=8.810 Å and β=95.8° lattice parameters, and different b parameters: b1=2.820 Å and b2=4.870 Å. Chemical analyses revealed that the monoclinic phase has a cobalt valence of +3.1-3.2. Resistivity of the monoclinic phase is approximately 10 1-10 5 times lower than that of the orthorhombic phase. This suggests that the monoclinic phase is a hole-doped phase of the insulating orthorhombic phase. Furthermore, large positive Seebeck coefficients (˜100 μV/K) were observed near room temperature.

  8. Monoclinic crystal structure of polycrystalline Na0.5Bi0.5TiO3

    NASA Astrophysics Data System (ADS)

    Aksel, Elena; Forrester, Jennifer S.; Jones, Jacob L.; Thomas, Pam A.; Page, Katharine; Suchomel, Matthew R.

    2011-04-01

    Bismuth-based ferroelectric ceramics are currently under intense investigation for their potential as Pb-free alternatives to lead zirconate titanate-based piezoelectrics. Na0.5Bi0.5TiO3 (NBT), one of the widely studied compositions, has been assumed thus far to exhibit the rhombohedral space group R3c at room temperature. High-resolution powder x-ray diffraction patterns, however, reveal peak splitting in the room temperature phase that evidence the true structure as monoclinic with space group Cc. This peak splitting and Cc space group is only revealed in sintered powders; calcined powders are equally fit to an R3c model because microstructural contributions to peak broadening obscure the peak splitting.

  9. Role of Li in the low temperature synthesis of monoclinic celsian from (Ba, Li)-exchanged zeolite-A precursor

    NASA Astrophysics Data System (ADS)

    Ferone, Claudio; Esposito, Serena; Dell'Agli, Gianfranco; Pansini, Michele

    2005-11-01

    A sample of exhaustively Ba-exchanged zeolite-A was subjected to Li-exchange to obtain four samples of zeolite Ba-A bearing different Li amounts. These samples were subjected to thermal treatments at temperatures ranging from 200 to 1100 °C for times up to 28 hours. Samples of fully monoclinic celsian bearing an amount of impurities of 0.62 weight % Na 2O and 0.17 weight % Li 2O, 0.60 Na 2O weight % and 0.29 Li 2O weight %, and 0.67 Na 2O weight % and 0.55 Li 2O weight % were obtained after thermal treatments lasting 10 hours at 1100 °C, 4 hours at 1100 °C, and 4 hours at 1000 °C, respectively.

  10. Donor-acceptor pair recombination luminescence from monoclinic Cu{sub 2}SnS{sub 3} thin film

    SciTech Connect

    Aihara, Naoya; Tanaka, Kunihiko Uchiki, Hisao; Kanai, Ayaka; Araki, Hideaki

    2015-07-20

    The defect levels in Cu{sub 2}SnS{sub 3} (CTS) were investigated using photoluminescence (PL) spectroscopy. A CTS thin film was prepared on a soda-lime glass/molybdenum substrate by thermal co-evaporation and sulfurization. The crystal structure was determined to be monoclinic, and the compositional ratios of Cu/Sn and S/Metal were determined to be 1.8 and 1.2, respectively. The photon energy of the PL spectra observed from the CTS thin film was lower than that previously reported. All fitted PL peaks were associated with defect related luminescence. The PL peaks observed at 0.843 and 0.867 eV were assigned to donor-acceptor pair recombination luminescence, the thermal activation energies of which were determined to be 22.9 and 24.8 meV, respectively.

  11. Tetragonal-tetragonal-monoclinic-rhombohedral transition: Strain relaxation of heavily compressed BiFeO3 epitaxial thin films

    NASA Astrophysics Data System (ADS)

    Fu, Z.; Yin, Z. G.; Chen, N. F.; Zhang, X. W.; Zhao, Y. J.; Bai, Y. M.; Chen, Y.; Wang, H.-H.; Zhang, X. L.; Wu, J. L.

    2014-02-01

    BiFeO3 films with in-plane compressive strain of -3.5% were deposited on oxygen-deficient La0.3Sr0.7MnO3-δ buffered SrTiO3(001) substrates. This highly strained BiFeO3 does not relax directly into its rhombohedral parent phase upon increasing the film thickness. Instead, a multi-step path involving structural transitions is observed. The misfit stress is first accommodated by the occurrence of true tetragonal BiFeO3 with c/a ratio of 1.23, then reduced by the transformation to the MC-type monoclinic structure, and finally alleviated through the MC-rhombohedral transition. Moreover, this process enables the formation of strain-driven morphotropic phase boundaries at a stress level much lower than the reported threshold of -4.5%.

  12. Metastable monoclinic and orthorhombic phases and electric field induced irreversible phase transformation at room temperature in the lead-free classical ferroelectric BaTiO3

    NASA Astrophysics Data System (ADS)

    Kalyani, Ajay Kumar; Khatua, Dipak Kumar; Loukya, B.; Datta, Ranjan; Fitch, Andy N.; Senyshyn, Anatoliy; Ranjan, Rajeev

    2015-03-01

    For decades it has been a well-known fact that among the few ferroelectric compounds in the perovskite family, namely, BaTiO3, KNbO3, PbTiO3, and Na1 /2Bi1 /2TiO3 , the dielectric and piezoelectric properties of BaTiO3 are considerably higher than the others in polycrystalline form at room temperature. Further, similar to ferroelectric alloys exhibiting morphotropic phase boundary, single crystals of BaTiO3 exhibit anomalously large piezoelectric response when poled away from the direction of spontaneous polarization at room temperature. These anomalous features in BaTiO3 remained unexplained so far from the structural standpoint. In this work, we have used high-resolution synchrotron x-ray powder diffraction, atomic resolution aberration-corrected transmission electron microscopy, in conjunction with a powder poling technique, to reveal that at 300 K (i) the equilibrium state of BaTiO3 is characterized by coexistence of metastable monoclinic Pm and orthorhombic (Amm2) phases along with the tetragonal phase, and (ii) strong electric field switches the polarization direction from the [001] direction towards the [101] direction. These results suggest that BaTiO3 at room temperature is within an instability regime, and that this instability is the fundamental factor responsible for the anomalous dielectric and piezoelectric properties of BaTiO3 as compared to the other homologous ferroelectric perovskite compounds at room temperature. Pure BaTiO3 at room temperature is therefore more akin to lead-based ferroelectric alloys close to the morphotropic phase boundary where polarization rotation and field induced ferroelectric-ferroelectric phase transformations play a fundamental role in influencing the dielectric and piezoelectric behavior.

  13. Microwave and infrared dielectric response of monoclinic bismuth zinc niobate based pyrochlore ceramics with ion substitution in A site

    SciTech Connect

    Wang Hong; Kamba, Stanislav; Zhang Meiling; Yao Xi; Denisov, Sergey; Kadlec, Filip; Petzelt, Jan

    2006-08-01

    It is well known that the cubic pyrochlore Bi{sub 1.5}ZnNb{sub 1.5}O{sub 7} exhibits higher permittivity and dielectric loss than monoclinic Bi{sub 2}Zn{sub 2/3}Nb{sub 4/3}O{sub 7} due to structural disorder in the A sites of Bi{sub 1.5}ZnNb{sub 1.5}O{sub 7}. We have studied systematically the impact of the ion substitution in the A site of monoclinic Bi{sub 2}Zn{sub 2/3}Nb{sub 4/3}O{sub 7} on the structure and microwave dielectric properties. It is shown that the structure and permittivity of (Bi{sub 1.92}M{sub 0.08})(Zn{sub 0.64}Nb{sub 1.36})O{sub 7} (M=Zn,Ca,Cd,Sr,Ba) ceramics remain almost the same as in Bi{sub 2}Zn{sub 2/3}Nb{sub 4/3}O{sub 7}; only the Ba substituted ceramics have higher permittivity due to multiphase structure. Microwave dielectric properties were compared with complex dielectric response in terahertz and infrared frequency range of 0.1-100 THz, which allows us to estimate intrinsic and extrinsic contributions to microwave dielectric losses. The best microwave properties were obtained in (Bi{sub 1.92}Ca{sub 0.08})(Zn{sub 0.64}Nb{sub 1.36})O{sub 7} with {epsilon}=76, Qf{>=}5000 (sintered below 950 deg.C), which is promising for microwave low temperature cofiring ceramic application.

  14. Monoclinic crystal form of Aspergillus niger alpha-amylase in complex with maltose at 1.8 angstroms resolution.

    PubMed

    Vujicić-Zagar, A; Dijkstra, B W

    2006-08-01

    Aspergillus niger alpha-amylase catalyses the hydrolysis of alpha-1,4-glucosidic bonds in starch. It shows 100% sequence identity to the A. oryzae homologue (also called TAKA-amylase), three crystal structures of which have been published to date. Two of them belong to the orthorhombic space group P2(1)2(1)2(1) with one molecule per asymmetric unit and one belongs to the monoclinic space group P2(1) with three molecules per asymmetric unit. Here, the purification, crystallization and structure determination of A. niger alpha-amylase crystallized in the monoclinic space group P2(1) with two molecules per asymmetric unit in complex with maltose at 1.8 angstroms resolution is reported. Furthermore, a novel 1.6 angstroms resolution orthorhombic crystal form (space group P2(1)2(1)2) of the native enzyme is presented. Four maltose molecules are observed in the maltose-alpha-amylase complex. Three of these occupy active-site subsites -2 and -1, +1 and +2 and the hitherto unobserved subsites +4 (Asp233, Gly234) and +5 (Asp235). The fourth maltose molecule binds at the distant binding sites d1 (Tyr382) and d2 (Trp385), also previously unobserved. Furthermore, it is shown that the active-site groove permits different binding modes of sugar units at subsites +1 and +2. This flexibility of the active-site cleft close to the catalytic centre might be needed for a productive binding of substrate chains and/or release of products. PMID:16880540

  15. The orientational relationship between monoclinic β-Ga2O3 and cubic NiO

    NASA Astrophysics Data System (ADS)

    Nakagomi, Shinji; Kubo, Shohei; Kokubun, Yoshihiro

    2016-07-01

    The orientational relationship between β-Ga2O3 and NiO was studied by X-ray diffraction measurements and cross-sectional high resolution transmission electron microscopy. A β-Ga2O3 thin film was formed on a (100) NiO layer on a (100) MgO substrate by gallium evaporation in an oxygen plasma. It was found that the resulting β-Ga2O3 had a four-fold domain structure satisfying both (100) β-Ga2O3 ‖ (100) NiO and (010) β-Ga2O3 ‖ {011} NiO. A γ-Ga2O3 layer was observed at the interface between the β-Ga2O3 and the NiO. An NiO film was also formed on a (100) β-Ga2O3 single-crystal substrate by the sol-gel method. An epitaxial (100) NiO film was formed on a (100) β-Ga2O3 substrate, and satisfied (011) NiO ‖ (010) β-Ga2O3. The crystal orientations of β-Ga2O3 on (100) NiO and NiO on (100) β-Ga2O3 can be explained using atomic arrangement models of the (100) plane of NiO and the (100) plane of β-Ga2O3.

  16. Electronic structure of ferromagnetic semiconductor material on the monoclinic and rhombohedral ordered double perovskites La{sub 2}FeCoO{sub 6}

    SciTech Connect

    Fuh, Huei-Ru; Chang, Ching-Ray; Weng, Ke-Chuan; Wang, Yin-Kuo

    2015-05-07

    Double perovskite La{sub 2}FeCoO{sub 6} with monoclinic structure and rhombohedra structure show as ferromagnetic semiconductor based on density functional theory calculation. The ferromagnetic semiconductor state can be well explained by the superexchange interaction. Moreover, the ferromagnetic semiconductor state remains under the generalized gradient approximation (GGA) and GGA plus onsite Coulomb interaction calculation.

  17. Monoclinic Cc-phase stabilization in magnetically diluted lead free Na1/2Bi1/2TiO3—Evolution of spin glass like behavior with enhanced ferroelectric and dielectric properties

    NASA Astrophysics Data System (ADS)

    Thangavelu, Karthik; Asthana, Saket

    2015-09-01

    The effect of magnetic cation substitution on the phase stabilization, ferroelectric, dielectric and magnetic properties of a lead free Na0.5Bi0.5TiO3 (NBT) system prepared by O2 atmosphere solid state sintering were studied extensively. Cobalt (Co) was chosen as the magnetic cation to substitute at the Ti-site of NBT with optimized 2.5 mol%. Rietveld analysis of x-ray diffraction data favours the monoclinic Cc phase stabilization strongly rather than the parent R3c phase. FE-SEM micrograph supports the single phase characteristics without phase segregation at the grain boundaries. The stabilized Cc space group was explained based on the collective local distortion effects due to spin-orbit stabilization at Co3+ and Co2+ functional centres. The phonon mode changes as observed in the TiO6 octahedral modes also support the Cc phase stabilization. The major Co3+-ion presence was revealed from corresponding crystal field transitions observed through solid state diffuse reflectance spectroscopy. The enhanced spontaneous polarization (Ps) from ≅38 μC cm-2 to 45 μC cm-2 could be due to the easy rotation of polarization vector along the {(1\\bar{1}0)}{{pc}} in Cc phase. An increase in static dielectric response (ɛ) from ɛ ≅ 42 to 60 along with enhanced diffusivity from γ ≅ 1.53 to 1.75 was observed. Magneto-thermal irreversibility and their magnetic field dependent ZFC/FC curves suggest the possibility of a spin glass like behaviour below 50 K. The monoclinic Cc phase stabilization as confirmed from structural studies was well correlated with the observed ferroic properties in magnetically diluted NBT.

  18. High-Temperature Monoclinic Cc Phase with Reduced c/a Ratio in Bi-based Perovskite Compound Bi2ZnTi1-xMnxO6.

    PubMed

    Yu, Runze; Matsuda, Narumi; Tominaga, Ken; Shimizu, Keisuke; Hojo, Hajime; Sakai, Yuki; Yamamoto, Hajime; Oka, Kengo; Azuma, Masaki

    2016-06-20

    Monoclinic phases with Cm, Pm, and Cc space groups are indispensable to understand the high performance of electromechanical properties at the morphotropic phase boundary (MPB) of lead-based perovskite oxides Pb(ZrxTi1-x)O3 (PZT), [Pb(Mg1/3Nb2/3)O3]1-x-(PbTiO3)x (PMN-PT), and [Pb(Zn1/3Nb2/3)O3]1-x-(PbTiO3)x (PZN-PT). Here, a nearly single monoclinic phase with space group Cc was observed in the Bi-based lead-free perovskite compound Bi2ZnTi1-xMnxO6 at x = 0.4. This phase was the same as the low-temperature phase of the MPB composition of PZT but existed at a much higher temperature. Despite the reduced pseudo c/a ratio of 1.065, which is the same as that of PbTiO3 at room temperature, ionic model calculation based on the Rietveld refinement data indicated the polarization of Bi2ZnTi0.6Mn0.4O6 is 95.8 μC/cm(2). The tilting and significant anisotropic distortion of the octahedron were found to cause the c/a ratio to reduce. Accordingly, the effective piezoelectric constant d33 of Bi2ZnTi0.6Mn0.4O6 thin film was found to be 12 pm/V. PMID:27254112

  19. Synthesis of monoclinic structured BiVO4 spindly microtubes in deep eutectic solvent and their application for dye degradation.

    PubMed

    Liu, Wei; Yu, Yaqin; Cao, Lixin; Su, Ge; Liu, Xiaoyun; Zhang, Lan; Wang, Yonggang

    2010-09-15

    Monoclinic structured spindly bismuth vanadate microtubes were fabricated on a large scale by a simple ionothermal treatment in the environment-friendly green solvent of urea/choline chloride. The as-prepared samples were characterized by XRD, SEM, TEM, IR and their photocatalytic activity was evaluated by photocatalytic decolorization of rhodamine B aqueous solution under visible-light irradiation. As-obtained BiVO(4) microtubes exhibit the spindly shape with a side length of ca. 800 nm and a wall thickness of ca. 100 nm. The opening of these microtubes presents a saw-toothed structure, which is seldom in other tube-shaped materials. The formation mechanism of the spindly microtubes is ascribed to the complex cooperation of the reaction-crystallization process controlled by BiOCl and the nucleation-growth process of nanosheets induced by solvent molecules attached on the surface of microtubes. Such spindly microtubes exhibit much higher visible-light photocatalytic activity than that of bulk BiVO(4) prepared by solid-state reaction, possibly resulting from their large surface area and improved crystallinity. PMID:20576353

  20. O K-energy loss near-edge structure change induced by tantalum impurity in monoclinic hafnium oxide

    SciTech Connect

    Yang, Mino; Baik, Hionsuck; Ivanovskaya, Viktoria; Colliex, Christian; Benayad, Anass

    2011-03-01

    The present paper reports the energy loss near-edge structure (ELNES) study of monoclinic HfO{sub 2} (m-HfO{sub 2}) and tantalum doped m-HfO{sub 2} (Ta{sub 0.1}Hf{sub 0.9}O{sub 2}) thin films prepared by radio frequency magnetron co-sputtering method. A change in the O K-ELNES spectra was observed as the amount of dopant increases. In order to precise the common features and the differences as a function of Ta defect nature (substitutional or interstitial) in HfO{sub 2}, the O K-ELNES were commented with respect to density functional theory calculations implemented in Vienna ab initio simulation package code. The calculated Ta doped HfO{sub 2} band structure showed that substitutional tantalum is the dominant defect and the spectral differences between doped and non-doped HfO{sub 2} are mainly originated from the change in the local cation distribution around the oxygen atoms.

  1. Photocatalytic degradation and removal mechanism of ibuprofen via monoclinic BiVO4 under simulated solar light.

    PubMed

    Li, Fuhua; Kang, Yapu; Chen, Min; Liu, Guoguang; Lv, Wenying; Yao, Kun; Chen, Ping; Huang, Haoping

    2016-05-01

    Characterized as by X-ray diffraction, scanning electron microscopy and UV-vis diffuse reflectance spectra techniques, BiVO4 photocatalyst was hydrothermally synthesized. The photocatalytic degradation mechanisms of ibuprofen (IBP) were evaluated in aqueous media via BiVO4. Results demonstrated that the prepared photocatalyst corresponded to phase-pure monoclinic scheelite BiVO4. The synthesized BiVO4 showed superior photocatalytic properties under the irradiation of visible-light. The photocatalytic degradation rate of IBP decreased with an increase in the initial IBP concentration. The degradation process followed first-order kinetics model. At an IBP concentration of 10 mg L(-1), while a BiVO4 concentration of 5.0 g L(-1) with pH value of 4.5, the rate of IBP degradation was obtained as 90% after 25 min. The photocatalytic degradation of IBP was primarily accomplished via the generation of superoxide radical (O2(•-)) and hydroxyl radicals ((•)OH). During the process of degradation, part of the (•)OH was converted from the O2(•-). The direct oxidation of holes (h(+)) made a minimal contribution to the degradation of IBP. PMID:26901469

  2. Efficient Sunlight-Induced Methylene Blue Removal over One-Dimensional Mesoporous Monoclinic BiVO4 Nanorods

    PubMed Central

    Hou, Linrui; Yang, Long; Li, Jiaoyang; Tan, Jie; Yuan, Changzhou

    2012-01-01

    Sunlight-driven mesoporous BiVO4 nanorods with monoclinic structure have been successfully synthesized via a simple hydrothermal method. The as-prepared one-dimensional BiVO4 nanorods exhibited high specific surface area due to their unique mesoporous structure. The mesoporous BiVO4 nanorods possessed strong photoabsorption properties in the visible light region as well as the ultravisible region, and the band gap was estimated to be ca. 2.18 eV. The photocatalytic activities were evaluated by decolorization of methylene blue under sunlight irradiation. Photocatalytic tests demonstrated that the decolorization rate of as-prepared mesoporous BiVO4 nanorods was even up to 98.8% in 180 min, much better than that prepared by solid-state reaction (23.1%) and the commercial TiO2 (Degussa P25) (14.2%) under the same conditions, due to their higher specific surface area and appropriate band gap. Moreover, the unique BiVO4 nanorods exhibit high stability after five photocatalytic degradation recycles. PMID:22567556

  3. Structural and microstructural changes in monoclinic ZrO{sub 2} during the ball-milling with stainless steel assembly

    SciTech Connect

    Stefanic, G. . E-mail: stefanic@irb.hr; Music, S.; Gajovic, A.

    2006-04-13

    High-energy ball-milling of monoclinic ZrO{sub 2} was performed in air using the planetary ball mill with a stainless steel milling assembly. Structural and microstructural changes during the ball-milling were monitored using X-ray powder diffraction, Raman spectroscopy, Moessbauer spectroscopy, field emission scanning electron microscopy and energy dispersive X-ray spectrometry. The results of line broadening analysis indicated a decrease in the crystallite size and an increase in the microstrains with the ball-milling time increased up to {approx}150 min. The results of quantitative phase analysis indicated the presence of a very small amount of tetragonal ZrO{sub 2} phase in this early stage of ball-milling. The onset of m-ZrO{sub 2} {sup {yields}} t-ZrO{sub 2} transition occurred between 10 and 15 h of ball-milling, which resulted in a complete transition after 20 h of ball-milling. Further ball-milling caused a decrease of the t-ZrO{sub 2} lattice parameters followed by a probable transition into c-ZrO{sub 2}. It was concluded that the stabilization of t- and c-ZrO{sub 2} polymorphs at RT can be attributed to the incorporation of aliovalent cations (Fe{sup 2+}, Fe{sup 3+} and Cr{sup 3+}) introduced into the sample due to the wear and oxidation of the milling media.

  4. Structural, Optical, and Electrical Characterization of Monoclinic β-Ga2O3 Grown by MOVPE on Sapphire Substrates

    NASA Astrophysics Data System (ADS)

    Tadjer, Marko J.; Mastro, Michael A.; Mahadik, Nadeemullah A.; Currie, Marc; Wheeler, Virginia D.; Freitas, Jaime A.; Greenlee, Jordan D.; Hite, Jennifer K.; Hobart, Karl D.; Eddy, Charles R.; Kub, Fritz J.

    2016-04-01

    Epitaxial growth of monoclinic β-Ga2O3 on a-plane and c-plane sapphire substrates by metalorganic vapor-phase epitaxy (MOVPE) is reported. Crystalline phase, growth rate (˜150 nm/h), and energy gap (˜4.7 eV) were determined by x-ray diffraction and optical reflectance measurements. Film density of ˜5.6 g/cm3 measured by x-ray reflectivity suggests the presence of vacancies, and the O-rich growth regime implies the presence of Ga vacancies in the films. O/Ga ratio of 1.13, as measured by XPS for Ga2O3 grown on c-plane Al2O3, suggests that, near the surface, the film is O-deficient. Atomic force microscopy revealed smoother, smaller grain size when films were grown on c-plane Al2O3. Raman spectroscopy suggested inclusions of α-Ga2O3, likely present at the sapphire interface due to growth on nonnative substrate. Samples of β-Ga2O3 were selectively implanted with Si in the source/drain regions and subsequently annealed at 1000°C for 10 min. Normally-off transistors (V T ≅ 4.7 V) with 20-nm-thick Al2O3 gate oxide were fabricated, and a maximum drain-source current of 4.8 nA was measured.

  5. Pressure induced tetragonal to monoclinic transition in RbN{sub 3} studied from first principles theory

    SciTech Connect

    Vaitheeswaran, G. Babu, K. Ramesh

    2014-04-24

    Alkali metal azides are well known for their application as explosives and gas generators. They are used as precursors in synthesis of polymeric nitrogen, an ultimate green high energy density material. Among the alkali metal azides, rubidium azide RbN{sub 3} crystallizes in tetragonal structure with linear azide ions arranged in layers and binds through weak dispersive interactions. In this present work, we have studied the structural stability, electronic structure and optical properties of solid RbN{sub 3} by using van der Waals corrected density functional theory. We find that the ambient tetragonal structure undergoes a structural transition to monoclinic structure at 0.72 GPa, which is in good agreement with the experimental transition pressure of less than 1 GPa. The phonon frequencies at the gamma point are calculated and found that the lattice mode Eg softens under pressure which may supports the structural phase transition. The electronic band structure and optical properties are calculated by using Tran Blaha-modified Becke Johnson (TB-mBJ) functional and found that solid RbN{sub 3} is an insulator with a gap of 5.976 eV and the optical absorption starts with the UV light of wave length 207.5 nm.

  6. First-principles electronic structure study of the monoclinic crystal bismuth triborate BiB3O6.

    PubMed

    Yang, Jun; Dolg, Michael

    2006-10-01

    Monoclinic BiB(3)O(6) is an excellent nonlinear optical material with many advantages compared to other borate crystals. The origins of the optical effects and the chemical stability of BiB(3)O(6) are studied with gradient-corrected hybrid B3PW density functional theory within the Gaussian-orbital-based CO-LCAO scheme. Including spin-orbit coupling, the B3PW hybrid functional provides an estimate of the indirect band gap of 4.29-4.99 eV closer to the experimental value of 4.3 eV than HF, LDA, or GGA. The crystal orbital overlap population to give a detailed first-principles analysis of chemical bonding and the density of optical absorptions by convoluting the occupied density of states and the virtual density of states have been calculated. Obvious Bi-O covalent bonds have been found with different energy ranges for 6s-2p and 6p-2p interactions. The reason that [BiO(4)](5-) units are mainly responsible for the optics of BiB(3)O(6) in the long-wavelength region is due to the electronic transfer from occupied O 2p to empty Bi 6p orbitals favored by the Bi-O covalent bonds. The relativistic and correlation effects lead to fundamental differences of the band structure, chemical bonds, and optical effects for BiB(3)O(6) compared with nonrelativistic and uncorrelated calculations. PMID:17004777

  7. Computational investigation of the Bi lone-pairs in monoclinic bismuth triborate BiB3O6.

    PubMed

    Yang, Jun; Dolg, Michael

    2007-05-01

    The Bi-O interactions and the Bi lone-pairs in monoclinic BiB3O6 are investigated with gradient-corrected hybrid B3PW density functional theory within the Gaussian-orbital-based CO-LCAO scheme. The Bi 6s and O 2p orbitals contribute to both bonding and antibonding interactions below the Fermi level. The stereochemical activity of the Bi lone-pairs was found to have a major origination from the primary interaction for the Bi 6s-O 2p antibonding orbital. The Bi 6p orbitals are not critically responsible for the non-spherical shape of the Bi lone-pairs, although they indeed participate into the secondary interaction with the Bi 6s-O 2p antibonding states. It is also suggested that O 2p components within the Bi lone-pairs are dominantly significant for the optical responses of BiB3O6 over the Bi 6s components. PMID:17464390

  8. Tuning oxygen vacancy photoluminescence in monoclinic Y2WO6 by selectively occupying yttrium sites using lanthanum.

    PubMed

    Ding, Bangfu; Han, Chao; Zheng, Lirong; Zhang, Junying; Wang, Rongming; Tang, Zilong

    2015-01-01

    The effect of isovalent lanthanum (La) doping on the monoclinic Y2WO6 photoluminescence was studied. Introducing the non-activated La(3+) into Y2WO6 brings new excitation bands from violet to visible regions and strong near-infrared emission, while the bands position and intensity depend on the doping concentration. It is interesting to find that doping La(3+) into Y2WO6 promotes the oxygen vacancy formation according to the first-principle calculation, Raman spectrum, and synchrotron radiation analysis. Through the Rietveld refinement and X-ray photoelectron spectroscopy results, La(3+) is found to mainly occupy the Y2 (2f) site in low-concentration doped samples. With increasing doping concentration, the La(3+) occupation number at the Y3 (4g) site increases faster than those at the Y1 (2e) and Y2 (2f) sites. When La(3+) occupies different Y sites, the localized energy states caused by the oxygen vacancy pair change their position in the forbidden band, inducing the variation of the excitation and emission bands. This research proposes a feasible method to tune the oxygen vacancy emission, eliminating the challenge of precisely controlling the calcination atmosphere. PMID:25821078

  9. Tuning oxygen vacancy photoluminescence in monoclinic Y2WO6 by selectively occupying yttrium sites using lanthanum

    PubMed Central

    Ding, Bangfu; Han, Chao; Zheng, Lirong; Zhang, Junying; Wang, Rongming; Tang, Zilong

    2015-01-01

    The effect of isovalent lanthanum (La) doping on the monoclinic Y2WO6 photoluminescence was studied. Introducing the non-activated La3+ into Y2WO6 brings new excitation bands from violet to visible regions and strong near-infrared emission, while the bands position and intensity depend on the doping concentration. It is interesting to find that doping La3+ into Y2WO6 promotes the oxygen vacancy formation according to the first-principle calculation, Raman spectrum, and synchrotron radiation analysis. Through the Rietveld refinement and X-ray photoelectron spectroscopy results, La3+ is found to mainly occupy the Y2 (2f) site in low-concentration doped samples. With increasing doping concentration, the La3+ occupation number at the Y3 (4g) site increases faster than those at the Y1 (2e) and Y2 (2f) sites. When La3+ occupies different Y sites, the localized energy states caused by the oxygen vacancy pair change their position in the forbidden band, inducing the variation of the excitation and emission bands. This research proposes a feasible method to tune the oxygen vacancy emission, eliminating the challenge of precisely controlling the calcination atmosphere. PMID:25821078

  10. Modelling of oxygen vacancy aggregates in monoclinic HfO2: can they contribute to conductive filament formation?

    PubMed

    Bradley, Samuel R; Bersuker, Gennadi; Shluger, Alexander L

    2015-10-21

    Formation of metal rich conductive filaments and their rearrangements determine the switching characteristics in HfO2 based resistive random access memory (RRAM) devices. The initiation of a filament formation process may occur either via aggregation of pre-existing vacancies randomly distributed in the oxide or via generation of new oxygen vacancies close to the pre-existing ones. We evaluate the feasibility of vacancy aggregation processes by calculating the structures and binding energies of oxygen vacancy aggregates consisting of 2, 3 and 4 vacancies in bulk monoclinic (m)-HfO2 using density functional theory (DFT). We demonstrate that formation of neutral oxygen vacancy aggregates is accompanied by small energy gain, which depends on the size and shape of the aggregate. In the most strongly bound configurations, vacancies are unscreened by Hf cations and form voids within the crystal, with the larger aggregates having larger binding energy per vacancy (-0.11 to  -0.18 eV). The negatively charged di-vacancy was found to have similar binding energies to the neutral one, while the positively charged di-vacancy was found to be unstable. Thus aggregation process of either neutral or negatively charged oxygen vacancies is energetically feasible. PMID:26414778

  11. About lamination upper and convexification lower bounds on the free energy of monoclinic shape memory alloys in the context of T 3-configurations and R-phase formation

    NASA Astrophysics Data System (ADS)

    Fechte-Heinen, R.; Schlömerkemper, A.

    2016-03-01

    This work is concerned with different estimates of the quasiconvexification of multi-well energy landscapes of NiTi shape memory alloys, which models the overall behavior of the material. Within the setting of the geometrically linear theory of elasticity, we consider a formula of the quasiconvexification which involves the so-called energy of mixing.We are interested in lower and upper bounds on the energy of mixing in order to get a better understanding of the quasiconvexification. The lower bound on the energy of mixing is obtained by convexification; it is also called Sachs or Reuß lower bound. The upper bound on the energy of mixing is based on second-order lamination. In particular, we are interested in the difference between the lower and upper bounds. Our numerical simulations show that the difference is in fact of the order of 1% and less in martensitic NiTi, even though both bounds on the energy of mixing were rather expected to differ more significantly. Hence, in various circumstances it may be justified to simply work with the convexification of the multi-well energy, which is relatively easy to deal with, or with the lamination upper bound, which always corresponds to a physically realistic microstructure, as an estimate of the quasiconvexification. In order to obtain a potentially large difference between upper and lower bound, we consider the bounds along paths in strain space which involve incompatible strains. In monoclinic shape memory alloys, three-tuples of pairwise incompatible strains play a special role since they form so-called T 3-configurations, originally discussed in a stress-free setting. In this work, we therefore consider in particular numerical simulations along paths in strain space which are related to these T 3-configurations. Interestingly, we observe that the second-order lamination upper bound along such paths is related to the geometry of the T 3-configurations. In addition to the purely martensitic regime, we also consider

  12. Understanding structural stability of monoclinic LiMnO2 and NaMnO2 upon de-intercalation.

    PubMed

    Tian, Meng; Gao, Yurui; Wang, Zhaoxiang; Chen, Liquan

    2016-07-14

    Although many strategies for Li-ion batteries have been successfully transplanted in Na-ion batteries, distinctions between these two kinds of secondary batteries are still clear. For example, monoclinic-NaMnO2 demonstrates high structural stability during charging and discharging, but its iso-structured LiMnO2 transforms to a spinel upon de-lithiation and the specific capacity fades quickly with cycling. In this work, first-principles calculations were carried out to have a better understanding of their difference in structural stability upon de-intercalation. Our studies show that the Mn-ions migrate into the Li layer of LiMnO2via an interstitial tetrahedral O atom when a triple-vacancy of the Li-ion is produced. This process follows a double-vacancy mechanism and results in blocking of the diffusion of other Li-ions. In contrast, it is very difficult for the Mn-ions to migrate into the Na layer in NaMnO2 even when triple-vacancies are generated. The drastic differences between LiMnO2 and NaMnO2 in charge distribution and in the length of the Mn-O bond are believed to be responsible for the Mn-ion migration in them. These findings provide revelations for understanding the de-intercalation behaviors of electrode materials for Li- and Na-ion batteries as well as insights into the structural stability of LiMnO2vs. NaMnO2 upon alkali metal ion de-intercalation. PMID:27315463

  13. Nonstoichiometric La(2 - x)GeO(5 - delta) monoclinic oxide as a new fast oxide ion conductor.

    PubMed

    Ishihara, T; Arikawa, H; Akbay, T; Nishiguchi, H; Takita, Y

    2001-01-17

    Oxide ion conductivity in La(2)GeO(5)-based oxide was investigated and it was found that La-deficient La(2)GeO(5) exhibits oxide ion conductivity over a wide range of oxygen partial pressure. The crystal structure of La(2)GeO(5) was estimated to be monoclinic with P2(1)/c space group. Conductivity increased with increasing the amount of La deficiency and the maximum value was attained at x = 0.39 in La(2 - x)GeO(5 - delta). The oxide ion transport number in La(2)GeO(5)-based oxide was estimated to be unity by the electromotive force measurement in H(2)-O(2) and N(2)-O(2) gas concentration cells. At a temperature higher than 1000 K, the oxide ion conductivity of La(1.61)GeO(5 - delta) was almost the same as that of La(0.9)Sr(0.1)Ga(0.8)Mg(0.2)O(3 - delta) or Ce(0.85)Gd(0.15)O(2 - delta), which are well-known fast oxide ion conductors. On the other hand, a change in the activation energy for oxide ion conductivity was observed at 973 K, and at intermediate temperature, the oxide ion conductivity of La(1.61)GeO(5 - delta) became much smaller than that of these well-known fast oxide ion conductors. The change in the activation energy of the oxide ion conductivity seems to be caused by a change in the local oxygen vacancy structure. However, doping a small amount of Sr for La in La(2)GeO(5) was effective to stabilize the high-temperature crystal structure to low temperature. Consequently, doping a small amount of Sr increases the oxide ion conductivity of La(2)GeO(5)-based oxide at low temperature. PMID:11456505

  14. Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory

    NASA Astrophysics Data System (ADS)

    Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.

    2016-04-01

    We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.

  15. Diffraction theory of nanotwin superlattices with low symmetry phase: Application to rhombohedral nanotwins and monoclinic M{sub A} and M{sub B} phases

    SciTech Connect

    Wang, Yu U.

    2007-07-01

    The Brillouin zone-dependent conditions for coherent and adaptive diffractions are formulated. Adaptive diffraction phenomenon of nanotwins is analyzed. Extraordinary Bragg reflection peaks appear and adaptively shift along the conventional twin peak splitting vectors, whose positions are determined by lever rule according to twin variant volume fractions. Analysis of rhombohedral nanotwins shows that the nanotwin superlattices of rhombohedral phase with {l_brace}001{r_brace} and {l_brace}110{r_brace} twin planes diffract incident waves just like monoclinic M{sub A} and M{sub B} phases, respectively, whose lattice parameters are intrinsically related to that of rhombohedral phase. Crystallographic analysis of rhombohedral nanotwins by nanodomain averaging gives the same monoclinic M{sub A} and M{sub B} phases.

  16. 2,2′-(1,3-Diazinane-1,3-di­yl)diaceto­nitrile: a second monoclinic polymorph

    PubMed Central

    Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal

    2011-01-01

    A new monoclinic polymorph of the title compound, C8H12N4, in the space group P21/n (Z = 4) is reported. The previously known form was also monoclinic, P21 /c (Z = 4), but the unit-cell parameters and crystal packing were different [Shoja & Saba (1993 ▶). Acta Cryst. C49, 354–355]. The hexa­hydro­pyrimidine ring of the title compound adopts a chair conformation with a diequatorial substitution and with the CH2-C N groups oriented nearly parallel and in the same direction [NC—CH2⋯CH2—CN pseudo torsion angle = −6.27 (18)°]. In the crystal, inter­molecular C—H⋯ N hydrogen bonds connects the mol­ecules into a chain along the b axis. PMID:22065712

  17. Neutron diffraction study of the monoclinic to tetragonal structural transition in LaNbO{sub 4} and its relation to proton mobility

    SciTech Connect

    Huse, M.; Skilbred, A.W.B.; Karlsson, M.; Eriksson, S.G.; Norby, T.; Haugsrud, R.; Knee, C.S.

    2012-03-15

    The fergusonite-scheelite structural transition of LaNbO{sub 4} was characterized by high-intensity variable temperature neutron powder diffraction in an effort to link structural changes to proton transport in the low temperature monoclinic and high temperature tetragonal polymorphs. The pronounced decrease in enthalpy of proton mobility with increasing temperature in monoclinic LaNbO{sub 4}, identified by Fjeld et al. , was found to coincide with the decrease in a key inter-tetrahedral oxygen separation. At temperatures above the transition, this oxygen to oxygen distance remains constant, behavior that is consistent with the invariant nature of the calculated enthalpy of mobility for the tetragonal phase. This oxygen separation is therefore proposed as the key structural parameter determining the success rate of proton transfer and ultimately the proton diffusion in LaNbO{sub 4}. Infrared measurements performed on acceptor-doped LaNbO{sub 4} show an absorption in the region 2500 to 3700 cm{sup -1} attributed to the O-H stretching motion influenced by hydrogen bonding. - Graphical Abstract: The structural phase transition from monoclinic fergusonite to tetragonal scheelite crystal structure clearly influences the proton conductivity of acceptor-doped LaNbO{sub 4} (see Figure). The present article attempts to explain why. Highlights: Black-Right-Pointing-Pointer Transition from monoclinic to tetragonal structure studied using neutron diffraction. Black-Right-Pointing-Pointer Change in proton mobility linked to contraction of a key oxygen separation. Black-Right-Pointing-Pointer Infra-red spectra reveal intermediate strength hydrogen bonding.

  18. Propagation of SH waves in a regular non-homogeneous monoclinic crustal layer lying over a non-homogeneous semi-infinite medium

    NASA Astrophysics Data System (ADS)

    Sethi, Munish; Sharma, Arvind; Sharma, Vishal; Sharma, Anupamdeep

    2016-08-01

    This study discusses the dispersion equation for SH waves in a non-homogeneous monoclinic layer over a semi-infinite isotropic medium. The wave velocity equation has been obtained. In the isotropic case, when the non-homogeneity is absent, the dispersion equation reduces to a standard SH wave equation. The dispersion curves are depicted by means of graphs for different values of non-homogeneity parameters for the layer and semi-infinite medium.

  19. Long- and short-range order in the Pd6B monoclinic superstructure and M6X5 and M6X allied superstructures

    NASA Astrophysics Data System (ADS)

    Gusev, A. I.

    2011-07-01

    Symmetry analysis of the Pd6B monoclinic superstructure (space group C2/ c) formed in the cubic (with the B1 structure) solid solution of boron in palladium (PdB y ) has been carried out. The formation of this superstructure proceeds as a first-order phase transition via the disorder-order channel including nine nonequivalent superstructure vectors of four stars { k 10}, { k 4}, { k 3}, and { k 0}. For the Pd6B monoclinic super-structure (space group C2/ c), the distribution function for boron atoms is calculated and the interval of admissible values of the long-range order parameters is defined. It is shown that the transition channel determined in this way coincides with the channel in which the M6X monoclinic superstructure (space group C2) is formed; therefore, the Pd6B superstructure can also be described in space group C2 to the same degree of accuracy. The higher symmetry of the monoclinic model (space group C2/ c) suggests that it describes the structure of the Pd6B phase (Pd6B□5), as well as of mutually inverse phases M6X□5 and M6X5□, more adequately than the model with space group C2. It is shown that superstructures of the M6X□5 type (space groups C2/ c, C2, C2/ m, and P31) and inverse superstructures of the M6X5□ type with the same space groups have the positions of the nearest surrounding of metal atoms by two types of nonmetallic sublattice sites located in the first and second coordination spheres.

  20. A new monoclinic polymorph of 1,1′-bis­(di­phenyl­thio­phosphor­yl)ferrocene

    PubMed Central

    Tan, Yee Seng; Yeo, Chien Ing; Tiekink, Edward R. T.

    2015-01-01

    The title compound, [Fe(C17H14PS)2], is a second monoclinic polymorph (P21/c, with Z′ = 1) of the previously reported monoclinic (C2/c, with Z′ = 1/2) form [Fang et al. (1995 ▸). Polyhedron, 14, 2403–2409]. In the new form, the S atoms lie to the same side of the mol­ecule with the pseudo S—P⋯P—S torsion angle being −53.09 (3)°. By contrast to this almost syn disposition, in the C2/c polymorph, the Fe atom lies on a centre of inversion so that the S atoms are strictly anti, with a pseudo-S—P⋯P—S torsion angle of 180°. The significant difference in mol­ecular conformation between the two forms does not result in major perturbations in the P=S bond lengths nor in the distorted tetra­hedral geometries about the P atoms. The crystal packing of the new monoclinic polymorph features weak Cp—C—H⋯π(phen­yl) inter­actions consolidating linear supra­molecular chains along the a axis. These pack with no directional inter­actions between them. PMID:26396747

  1. Pressure dependence of the monoclinic phase in (1–x)Pb(Mg1/3Nb2/3)O3-xPbTiO₃ solid solutions

    SciTech Connect

    Ahart, Muhtar; Sinogeikin, Stanislav; Shebanova, Olga; Ikuta, Daijo; Ye, Zuo-Guang; Mao, Ho-kwang; Cohen, R. E.; Hemley, Russell J.

    2012-12-26

    We combine high-pressure x-ray diffraction, high-pressure Raman scattering, and optical microscopy to investigate a series of (1–x)Pb(Mg1/3Nb2/3)O3-xPbTiO₃ (PMN-xPT) solid solutions (x=0.2, 0.3, 0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The Raman spectra show a peak centered at 380 cm⁻¹ starting above 6 GPa for all samples, in agreement with previous observations. X-ray diffraction measurements are consistent with this spectral change indicating a structural phase transition; we find that the triplet at the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our results indicate that the morphotropic phase boundary region (x=0.33–0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The pressure dependence of ferroelectric domains in PMN-0.32PT single crystals was observed using a polarizing optical microscope. The domain wall density decreases with pressure and the domains disappear at a modest pressure of 3 GPa. We propose a pressure-composition phase diagram for PMN-xPT solid solutions.

  2. Pressure dependence of the monoclinic phase in (1–x)Pb(Mg1/3Nb2/3)O3-xPbTiO₃ solid solutions

    DOE PAGESBeta

    Ahart, Muhtar; Sinogeikin, Stanislav; Shebanova, Olga; Ikuta, Daijo; Ye, Zuo-Guang; Mao, Ho-kwang; Cohen, R. E.; Hemley, Russell J.

    2012-12-26

    We combine high-pressure x-ray diffraction, high-pressure Raman scattering, and optical microscopy to investigate a series of (1–x)Pb(Mg1/3Nb2/3)O3-xPbTiO₃ (PMN-xPT) solid solutions (x=0.2, 0.3, 0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The Raman spectra show a peak centered at 380 cm⁻¹ starting above 6 GPa for all samples, in agreement with previous observations. X-ray diffraction measurements are consistent with this spectral change indicating a structural phase transition; we find that the triplet at the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our results indicate that the morphotropic phase boundary regionmore » (x=0.33–0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The pressure dependence of ferroelectric domains in PMN-0.32PT single crystals was observed using a polarizing optical microscope. The domain wall density decreases with pressure and the domains disappear at a modest pressure of 3 GPa. We propose a pressure-composition phase diagram for PMN-xPT solid solutions.« less

  3. Is higher ratio of monoclinic to tetragonal in LaVO4 a better luminescence host? Redispersion and polymer film formation.

    PubMed

    Okram, Reena; Yaiphaba, Ningombam; Ningthoujam, Raghumani Singh; Singh, Nongmaithem Rajmuhon

    2014-07-21

    Crystalline LaVO4:Eu(3+) nanophosphors (NPs) codoped with metal ions (M(n+) = Li(+), Sr(2+), and Bi(3+)) are prepared in ethylene glycol (EG) medium at temperature ∼140 °C in 3 h. A mixture of monoclinic and tetragonal phases is observed. The ratio of tetragonal to monoclinic phases increases with increase of Li(+) and Sr(2+) concentration, but this is opposite in case of Bi(3+) concentration. Lattice expansion occurs in the case of Li(+) and Sr(2+) codoping. Li(+) ions occupy the interstitial sites instead of La(3+) sites. Lattice contraction occurs in case of Bi(3+) codoping indicating substitution of La(3+) sites. Luminescence intensity is improved by codoping of M(n+) irrespective of crystal structure. Charges of Li(+) and Sr(2+) are different from that of La(3+) (host lattice), whereas the charge of Bi(3+) is same as that of La(3+). One interesting observation is in magnetic dipole transition that the intensity of the peak at 594 nm is more than that at 587 nm in the case of charge imbalance, whereas the reverse occurs in the case of charge balance. LaVO4:Eu(3+) nanophosphors prepared in water medium have more luminescence intensity when compared to those prepared in ethylene glycol, and this is related to variation of ratio of tetragonal to monoclinic phases. The luminescence intensity is also enhanced as annealing temperature increases from 600 to 800 °C due to the improved crystallinity. Lifetime data are analyzed on the basis of exponential and nonexponential decay equations. Samples are dispersible in polar medium due to capping of particles by EG. Polymer films are prepared by dispersion of NPs in poly(vinyl alcohol), and extra borax is added in order to make cross-link between polymer molecules. Samples of NPs in the forms of powder, dispersion in liquid medium, and film show the red emission. PMID:24963837

  4. Monoclinic distortion and magnetic coupling in the double perovskite Sr{sub 2−x}Ca{sub x}YRuO{sub 6}

    SciTech Connect

    Bernardo, P.L.; Ghivelder, L.; Eslava, G.G.; Amorim, H.S.; Felner, I.; Garcia, S.

    2014-12-15

    Abstracts: This work investigates in the insulating double perovskites Sr{sub 2−x}Ca{sub x}YRuO{sub 6}. We address the angular dependence of the strength of the magnetic coupling due to the deviation from planarity of the basal layers of the monoclinic structure, characterized by the in-plane angle α<180°, in order to probe the impact of the structural distortions in the magnetic properties of the compounds. High resolution x-ray powder diffraction, susceptibility, and specific heat measurements were performed. The deviation from planarity significantly increases (α=144° for x=1) while the bond distances vary in a complex way as a consequence of the strong monoclinic distortion. We found that the magnetic transition temperature, T{sub M}, shows a linear dependence on cos [(π−α)/2]. This result is discussed in terms of t{sub 2g}(π)–e{sub g}(σ) mixing of the magnetic orbitals of the Ru{sup 5+} ions and unbalanced competitive super-exchange interactions. The deleterious effect of Ca doping for the magnetic coupling is confirmed by the reduction in the short-range antiferromagnetic correlations characteristic of the parent compound at T>>T{sub M} and the enhancement of magnetic frustration for Tmonoclinic distortions. - Highlights: • Neel temperatures in SrCaYRuO were correlated quantitatively with lattice distortions. • Bending of Ru–O–Y planes plays a major role in the magnetic properties of SrCaYRuO. • The structural–magnetic correlation is due to π–σ mixing of the magnetic orbitals.

  5. Exchange-correlation effects in the monoclinic to tetragonal phase stabilization of yttrium-doped ZrO{sub 2}: A first-principles approach

    SciTech Connect

    Sangalli, Davide; Debernardi, Alberto

    2011-12-01

    We describe, within an ab initio approach, the stabilization of the tetragonal phase versus the monoclinic one in yttrium-doped zirconia. The process is believed to be influenced from different mechanisms. Indeed, we show that there is a delicate balance between the change in electrostatic and kinetic energy and exchange-correlation effects. In the tetragonal phase, the perturbation induced by doping is better screened at the price of sacrificing correlation energy. Our work opens the opportunity to use the same approach to predict the tetragonal phase stabilization of materials such as zirconia or hafnia, with different and less characterized dopants.

  6. A very promising piezoelectric property of Ta{sub 2}O{sub 5} thin films. I: Monoclinic-trigonal phase transition

    SciTech Connect

    Audier, M.; Chenevier, B.; Roussel, H.; Vincent, L.; Pena, A.

    2011-08-15

    Ceramic thin films of tantalum oxide of a new trigonal structure (a=12.713(7) A, {alpha}=28.201(0){sup o}, space-group R3) were produced by thermal treatments of amorphous deposits on (001)Si wafers, either by electrostatic spray deposition or by injection metal-organic chemical vapor decomposition. This trigonal phase comes from the transformation of a monoclinic phase 11L- or 25L-Ta{sub 2}O{sub 5}. The transformation is reversible under oxygen atmosphere and, from results of TEM investigations, occurs mainly via atomic motions along the z unique axis of the monoclinic structure parallel to the polar three-fold axis of the trigonal structure. The non-centrosymmetry and direction of polar axis of the trigonal phase, identified by high resolution TEM imaging, indicate a possibility of very high electric dipole moments linked to a strong piezoelectricity. From results of XPS analyses of both monoclinic and trigonal structures, the binding energies remain similar to those of Ta{sub 2}O{sub 5}. As the formation of the trigonal structure gives rise to an important volume expansion, stresses induced in ceramic thin films are likely influencing both properties of birefringence and piezoelectricity which are presented in a separated article (part II). It is mentioned that the formation of trigonal phase does not occur in bulk Ta{sub 2}O{sub 5} samples, for which an incommensurate phase transition has been observed in a previous work. - Graphical abstract: (a) {theta}/2{theta} X-ray pattern of the tantalum oxide layer prepared by i-MOCVD, cooled down at 5 deg. C min{sup -1} after a thermal treatment at 850 deg. C under N{sub 2} for 1 h. (b) Rhombohedral cell of the Ta{sub 2}O{sub 5} trigonal structure of R3 space-group decorated with its 10 Ta sites. Highlights: > We examine crystallographic properties of a new Ta{sub 2}O{sub 5} trigonal phase. > Its formation occurs only in thin films. > It comes from a reversible transition with a monoclinic phase. > A possibility of

  7. Monoclinic to two-dimensional hexagonal transformation in hexacatenar molecules with a 1,2,3-triazole-based conjugated rod: morphology-dependent thermochromic behavior.

    PubMed

    Han, Kyuwon; Cho, Byoung-Ki

    2014-10-14

    Novel hexacatenar molecules based on a 1,2,3-triazole-extended aromatic rod self-assemble into crystalline monoclinic and liquid crystalline hexagonal columnar structures depending on temperature. The phase transition may involve a conformational change from an anisotropic transoid to a half-disk cisoid conformer upon melting. In a hexacatenar molecule with sixfold octyl chains, the crystal-to-LC transition accompanies a photoluminescence color change from sky blue to dark blue, which is attributed to the formation of higher-order aggregates in the crystalline state. PMID:25207835

  8. Monoclinic structure of hydroxylpyromorphite Pb10(PO4)6(OH)2 - hydroxylmimetite Pb10(AsO4)6(OH)2 solid solution series

    NASA Astrophysics Data System (ADS)

    Giera, Alicja; Manecki, Maciej; Borkiewicz, Olaf; Zelek, Sylwia; Rakovan, John; Bajda, Tomasz; Marchlewski, Tomasz

    2016-04-01

    Seven samples of hydroxyl analogues of pyromorphite-mimetite solid solutions series were synthesized from aqueous solutions at 80° C in a computer-controlled chemistate: 200 mL aqueous solutions of 0.05M Pb(NO3)2 and 0.03M KH2AsO4 and/or KH2PO4 were dosed with a 0.25 mL/min rate to a glass beaker, which initially contained 100 mL of distilled water. Constant pH of 8 was maintained using 2M KOH. The syntheses yielded homogeneous fine-grained white precipitates composition of which was close to theoretical Pb10[(PO4)6‑x(AsO4)x](OH)2, where x = 0, 1, 2, 3, 4, 5, 6. High-resolution powder X-ray diffraction data were obtained in transmission geometry at the beamline 11-BM at the Advanced Photon Source (Argonne National Laboratory in Illinois, USA). The structure Rietveld refinements based on starting parameters of either hexagonal hydroxylpyromorphite or monoclinic mimetite-M were performed using GSAS+EXPGUI software. Apatite usually crystallizes in the hexagonal crystal system with the space group P63/m. For the first time, however, the lowering of the hexagonal to monoclinic crystal symmetry was observed in the hydroxyl variety of pyromorphite-mimetite solid solution series. This is indicated by better fitting of the modeled monoclinic structure to the experimental data. The same is not the case for analogous calcium hydroxylapatite series Ca5(PO4)3OH - Ca5(AsO4)3OH (Lee et al. 2009). Systematical linear increase of unit cell parameters is observed with As substitution from a=9.88, b=19.75, and c=7.43 for Pb10(PO4)6(OH)2 to a=10.23, b=20.32, and c=7.51 for Pb10(AsO4)6(OH)2. A strong pseudohexagonal character (γ ≈ 120° and b ≈ 2a) of the analyzed monoclinic phases was established. This work is partially funded by AGH research grant no 11.11.140.319 and partially by Polish NCN grant No 2011/01/M/ST10/06999. Lee Y.J., Stephens P.W., Tang Y., Li W., Philips B.L., Parise J.B., Reeder R.J., 2009. Arsenate substitution in hydroxylapatite: Structural characterization

  9. Monoclinically distorted perovskites, A{sub 2}ZnTiO{sub 6} (A=Pr, Gd): Rietveld refinement, and dielectric studies

    SciTech Connect

    Das, Nibedita; Nath, Masood A.; Thakur, Gohil S.; Thirumal, M.; Ganguli, Ashok K.

    2015-09-15

    Double perovskite related oxide A{sub 2}ZnTiO{sub 6}A=Pr, Gd were synthesized by the solid state reaction method at 1523 K. The structure and microstructure of the compounds were studied by X-ray, SAED and FESEM. Rietveld refinement of the powder X-ray analysis shows that the compounds crystallizes in monoclinic space group P2{sub 1}/n (a{sup +}b{sup −}b{sup −}) with unit cell parameter √2a{sub p}×√2a{sub p}×2a{sub p} (a=5.5026(1) Å, b=5.6305(1) Å, c=7.8149(1) Å, β=90.02(1)° for Pr{sub 2}ZnTiO{sub 6} and a=5.3621(1) Å, b=5.6565(2) Å, c=7.6779(2) Å and β=90.264(2)° for Gd{sub 2}ZnTiO{sub 6}. Electron diffraction study confirms P2{sub 1}/n symmetry of the oxides. The monoclinic distortion is larger in Gd{sub 2}ZnTiO{sub 6} than Pr{sub 2}ZnTiO{sub 6} which is associated with the tolerance factor and the tilting angle of ZnO{sub 6} and TiO{sub 6} octahedra (ϕ=13.64° for Pr{sub 2}ZnTiO{sub 6} and 16.51° for Gd{sub 2}ZnTiO{sub 6}). The compounds are highly ordered. The charge and size difference between B site cations are the driving force for the ordering of the B′O{sub 6} and B″O{sub 6} octahedra. Pr{sub 2}ZnTiO{sub 6} shows a dielectric constant of 27 and dielectric loss of 0.003 while Gd{sub 2}ZnTiO{sub 6} has a dielectric constant of 17 and dielectric loss of 0.005 measured at 1 MHz. - Graphical abstract: Synthesis of new double perovskite dielectric material with very low dielectric loss. - Highlights: • Synthesis of new monoclinically distorted double perovskite (Pr{sub 2}ZnTiO{sub 6}). • Synthesis of monoclinically distorted double perovskite (Gd{sub 2}ZnTiO{sub 6}). • Selected area electron diffraction study of A{sub 2}ZnTiO{sub 6} (A=Pr, Gd). • Study of dielectric properties of A{sub 2}ZnTiO{sub 6} (A=Pr, Gd)

  10. Crystal structure of a new monoclinic polymorph of N-(4-methyl­phen­yl)-3-nitro­pyridin-2-amine

    PubMed Central

    Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.

    2014-01-01

    The title compound, C12H11N3O2, is a second monoclinic polymorph (P21, with Z′ = 4) of the previously reported monoclinic (P21/c, with Z′ = 2) form [Akhmad Aznan et al. (2010 ▶). Acta Cryst. E66, o2400]. Four independent mol­ecules comprise the asymmetric unit, which have the common features of a syn disposition of the pyridine N atom and the toluene ring, and an intra­molecular amine–nitro N—H⋯O hydrogen bond. The differences between mol­ecules relate to the dihedral angles between the rings which range from 2.92 (19) to 26.24 (19)°. The geometry-optimized structure [B3LYP level of theory and 6–311 g+(d,p) basis set] has the same features except that the entire mol­ecule is planar. In the crystal, the three-dimensional architecture is consolidated by a combination of C—H⋯O, C—H⋯π, nitro-N—O⋯π and π–π inter­actions [inter-centroid distances = 3.649 (2)–3.916 (2) Å]. PMID:25249854

  11. Progressive evolution of deformation band populations during Laramide fault-propagation folding: Navajo Sandstone, San Rafael monocline, Utah, U.S.A.

    NASA Astrophysics Data System (ADS)

    Zuluaga, Luisa F.; Fossen, Haakon; Rotevatn, Atle

    2014-11-01

    Monoclinal fault propagation folds are a common type of structure in orogenic foreland settings, particularly on the Colorado Plateau. We have studied a portion of the San Rafael monocline, Utah, assumed to have formed through pure thrust- or reverse-slip (blind) fault movement, and mapped a particular sequence of subseismic cataclastic deformation structures (deformation bands) that can be related in terms of geometry, density and orientation to the dip of the forelimb or fold interlimb angle. In simple terms, deformation bands parallel to bedding are the first structures to form, increasing exponentially in number as the forelimb gets steeper. At about 30° rotation of the forelimb, bands forming ladder structures start to cross-cut bedding, consolidating themselves into a well-defined and regularly spaced network of deformation band zones that rotate with the layering during further deformation. In summary, we demonstrate a close relationship between limb dip and deformation band density that can be used to predict the distribution and orientation of such subseismic structures in subsurface reservoirs of similar type. Furthermore, given the fact that these cataclastic deformation bands compartmentalize fluid flow, this relationship can be used to predict or model fluid flow across and along comparable fault-propagation folds.

  12. Second monoclinic form of (E)-3-(4-fluoro­phen­yl)-1-phenyl­prop-2-en-1-one

    PubMed Central

    Arias-Ruiz, Saira N.; Romero, Nancy; Lobato-García, Carlos E.; Gómez-Rivera, Abraham; Mendoza, Angel

    2013-01-01

    The unit-cell dimensions and space group of the second monoclinic polymorph of the title compound, C15H11FO, differ from those of the previously reported form [Jing (2009 ▶). Acta Cryst. E65, o2515]. The title compound shows an E conformation of the C=C bond with the 4-fluoro­phenyl group opposite to the benzoyl group. The torsion angle of between the planes of the 4-fluoro­phenyl and benzoyl groups is 10.53 (6)°. In the crystal, weak C—H⋯O and C—H⋯F inter­actions form a cross-linked packing motif, building sheets parallel to (-102). PMID:24454121

  13. The effect of nanocrystallite size in monoclinic HfO{sub 2} films on lattice expansion and near-edge optical absorption

    SciTech Connect

    Cisneros-Morales, M. C.; Aita, C. R.

    2010-05-10

    Nanocrystalline monoclinic HfO{sub 2} films were sputter deposited on fused silica substrates, air annealed at 573 to 1273 K to affect crystallite growth, and analyzed by x-ray diffraction and spectrophotometry. Lattice expansion occurs with diminishing crystallite size. O 2p->Hf 5d interband absorption dominates the optical edge at energy E>=6.24 eV, with an optical band gap, E{sub o}=5.48+-0.023, which is independent of crystallite size. However, the strength of a localized resonant band, with onset at 5.65 eV and maximum at 5.94 eV, is affected by crystallite size. Its polaronic origin in a perfect HfO{sub 2} lattice is discussed.

  14. A monoclinic polymorph of (1E,5E)-1,5-bis­(2-hy­droxy­benzyl­idene)thio­carbono­hydrazide

    PubMed Central

    Schmitt, Bonell; Gerber, Thomas; Hosten, Eric; Betz, Richard

    2011-01-01

    The title compound, C15H14N4O2S, is a derivative of thio­ureadihydrazide. In contrast to the previously reported polymorph (ortho­rhom­bic, space group Pbca, Z = 8), the current study revealed monoclinic symmetry (space group P21/n, Z = 4). The mol­ecule shows non-crystallographic C 2 as well as approximate C s symmetry. Intra­molecular bifurcated O—H⋯(N,S) hydrogen bonds, are present. In the crystal, inter­molecular N—H⋯S hydrogen bonds and C—H⋯π contacts connect the mol­ecules into undulating chains along the b axis. The shortest centroid–centroid distance between two aromatic systems is 4.5285 (12) Å. PMID:22091213

  15. Stress-induced VO{sub 2} films with M2 monoclinic phase stable at room temperature grown by inductively coupled plasma-assisted reactive sputtering

    SciTech Connect

    Okimura, Kunio; Watanabe, Tomo; Sakai, Joe

    2012-04-01

    We report on growth of VO{sub 2} films with M2 monoclinic phase stable at room temperature under atmospheric pressure. The films were grown on quartz glass and Si substrates by using an inductively coupled plasma-assisted reactive sputtering method. XRD-sin{sup 2}{Psi} measurements revealed that the films with M2 phase are under compressive stress in contrast to tensile stress of films with M1 phase. Scanning electron microscopy observations revealed characteristic crystal grain aspects with formation of periodical twin structure of M2 phase. Structural phase transition from M2 to tetragonal phases, accompanied by a resistance change, was confirmed to occur as the temperature rises. Growth of VO{sub 2} films composed of M2 phase crystalline is of strong interest for clarifying nature of Mott transition of strongly correlated materials.

  16. Study on optical properties of rare-earth ions in nanocrystalline monoclinic SrAl2O4: Ln (Ln = Ce3+, Pr3+, Tb3+).

    PubMed

    Fu, Zuoling; Zhou, Shihong; Zhang, Siyuan

    2005-08-01

    SrAl(2)O(4): Ln (Ln = Ce(3+), Pr(3+), Tb(3+)) nanocrystals have been synthesized by the combustion method. The results of XRD indicated that the resulting SrAl(2)O(4): Ln (Ln = Ce(3+), Pr(3+), Tb(3+)) nanocrystals have a reduced and distorted monoclinic lattice compared with bulk materials. The spectral properties are measured, and it is found that the excitation peaks of 5d energy levels red shift in nanocrystals in contrast to that in bulk crystals. The mechanism of spectra and energy changes is investigated. The order of the degree of red shift for nano SrAl(2)O(4): Ln (Ln = Ce(3+), Pr(3+), Tb(3+)) crystals is Pr(3+) > Ce(3+) > Tb(3+), which is in good agreement with our predicted results. PMID:16852811

  17. Difference in the luminescence properties of orthorhombic and monoclinic forms of Y{sub 2}GeO{sub 5}:Ln (Ln = Tb{sup 3+} and Dy{sup 3+})

    SciTech Connect

    Tyagi, Adish; Shah, Alpa; Sudarsan, V. Vatsa, R.K.; Jain, V.K.

    2015-04-15

    Highlights: • Improved emission colour purity with orthorhombic form of Y{sub 2}GeO{sub 5}. • Non-stationary quenching exists in orthorhombic and monoclinic forms of Y{sub 2}GeO{sub 5}:Tb. • Ion pair formation and cross relaxation quenching operating for Y{sub 2}GeO{sub 5}:Dy samples. - Abstract: The luminescence properties of Tb{sup 3+} and Dy{sup 3+} doped orthorhombic and monoclinic forms of Y{sub 2}GeO{sub 5} are significantly different. Orthorhombic Y{sub 2}GeO{sub 5} doped with Tb{sup 3+} and Dy{sup 3+} ions gives bright green and blue emission upon UV light excitation with CIE coordinates (0.25, 0.46) and (0.25, 0.24), respectively. The monoclinic Y{sub 2}GeO{sub 5} doped with these ions exhibits light green and yellowish white emissions, respectively. This has been attributed to the differences in crystallographic environments around Y{sup 3+} ions in orthorhombic and monoclinic forms of Y{sub 2}GeO{sub 5}. Quantum yield of emission for orthorhombic Y{sub 2}GeO{sub 5}:Tb (∼29%) is significantly higher than that of the monoclinic Y{sub 2}GeO{sub 5}:Tb (∼14%). Lifetime values corresponding to {sup 4}F{sub 9/2} level of Dy{sup 3+} ions in both monoclinic and orthorhombic forms of Y{sub 2}GeO{sub 5} follow an opposite trend with respect to {sup 5}D{sub 4} level of Tb{sup 3+} ions. This is attributed to difference in the concentration quenching mechanism operating for Tb{sup 3+} and Dy{sup 3+} ions.

  18. A Process for Modelling Diffuse Scattering from Disordered Molecular Crystals, Illustrated by Application to Monoclinic 9-Chloro-10-methylanthracene

    DOE PAGESBeta

    Goossens, D. J.

    2015-01-01

    Diffuse scattering from a crystal contains valuable information about the two-body correlations (related to the nanoscale order) in the material. Despite years of development, the detailed analysis of single crystal diffuse scattering (SCDS) has yet to become part of the everyday toolbox of the structural scientist. Recent decades have seen the pair distribution function approach to diffuse scattering (in fact, total scattering) from powders become a relatively routine tool. However, analysing the detailed, complex, and often highly anisotropic three-dimensional distribution of SCDS remains valuable yet rare because there is no routine method for undertaking the analysis. At present, analysis requiresmore » significant investment of time to develop specialist expertise, which means that the analysis of diffuse scattering, which has much to offer, is not incorporated thorough studies of many compounds even though it has the potential to be a very useful adjunct to existing techniques. This article endeavours to outline in some detail how the diffuse scattering from a molecular crystal can be modelled relatively quickly and largely using existing software tools. It is hoped this will provide a template for other studies. To enable this, the entire simulation is included as deposited material.« less

  19. Temperature and Field Induced Strain Measurements in Single Crystal Gd5Si2Ge2

    NASA Astrophysics Data System (ADS)

    McCall, S. K.; Nersessian, N.; Carman, G. P.; Pecharsky, V. K.; Schlagel, D. L.; Radousky, H. B.

    2016-06-01

    The first-order magneto-structural transformation that occurs in Gd5Si2Ge2 near room temperature makes it a strong candidate for many energy harvesting applications. Understanding the single crystal properties is crucial for allowing simulations of device performance. In this study, magnetically and thermally induced transformation strains were measured in a single crystal of Gd5Si2.05Ge1.95 as it transforms from a high-temperature monoclinic paramagnet to a lower-temperature orthorhombic ferromagnet. Thermally induced transformation strains of -8500 ppm, +960 ppm and +1800 ppm, and magnetically induced transformation strains of -8500 ppm, +900 ppm and +2300 ppm were measured along the a, b and c axes, respectively. Using experimental data coupled with general thermodynamic considerations, a universal phase diagram was constructed showing the transition from the monoclinic to the orthorhombic phase as a function of temperature and magnetic field.

  20. Ferromagnetic resonance characterization of greigite (Fe3S4), monoclinic pyrrhotite (Fe7S8), and non-interacting titanomagnetite (Fe3-xTixO4)

    NASA Astrophysics Data System (ADS)

    Chang, Liao; Winklhofer, Michael; Roberts, Andrew P.; Dekkers, Mark J.; Horng, Chorng-Shern; Hu, Lei; Chen, Qianwang

    2012-05-01

    Ferromagnetic resonance (FMR) spectroscopy has become an increasingly useful tool for studying the magnetic properties of natural samples. Magnetite (Fe3O4) is the only magnetic mineral that has been well characterized using FMR. This limits the wider use of FMR in rock magnetism and paleomagnetism. In this study, we applied FMR analysis to a range of magnetic minerals, including greigite (Fe3S4), monoclinic pyrrhotite (Fe7S8), magnetically non-interacting titanomagnetite (Fe3-xTixO4), and synthetic magnetite chains to constrain interpretation of FMR analysis of natural samples and to explore applications of FMR spectroscopy. We measured the FMR signatures of a wide range of well-characterized samples at the X- and Q-bands. FMR spectra were also simulated numerically to compare with experimental results. The effects of magnetic anisotropy, mineralogy, domain state, and magnetostatic interactions on the FMR spectra are discussed for all studied minerals. Our experimental and theoretical analyses of magnetically non-interacting tuff samples and magnetically interacting chains enable quantitative assessment of contributions of magnetostatic interactions and magnetic anisotropy to the FMR spectra. Our results also indicate that intact magnetosomes are a unique system with distinct FMR signatures. While FMR analysis is useful for characterizing magnetic properties of natural samples, care is needed when making interpretations because of overlaps in a range of FMR signatures of different magnetic minerals with different magnetic properties. Our analyses will help to constrain such interpretations in rock magnetic studies.

  1. First-principles investigation of the structural stability and electronic properties of Pd doped monoclinic Cu6Sn5 intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Shao, Wei-Quan; Lu, Wen-Cai; Chen, Sha-Ou

    2014-12-01

    Tri-layer Au/Pd/Ni(P) films have been widely used as surface finish over the Cu pads in high-end packaging applications. It was found that a thin (Cu,Pd)6Sn5 IMC layer was beneficial in effective reducing inter-diffusion between a Cu substrate and a solder, and therefore the growth of the IMC layer and the EM (electromigration) processes. In this study, the structural properties and phase stability of monoclinic Cu6Sn5-based structures with Pd substitutions were studied by using the first-principles method. The (Cu,Pd)6Sn5 structure with the 4e site substituted by Pd has the lowest heat of formation and is the most stable among (Cu,Pd)6Sn5 structures. Hybridization of Pd-d and Sn-p states is a dominant factor for stability improvement. Moreover, Pd atoms concentration corresponding to the most stable structure of (Cu,Pd)6Sn5 was found to be 1.69 %, which is consistent with the experimental results.

  2. First-principles prediction of the thermodynamic stability of xenon in monoclinic, tetragonal, and yttrium-stabilized cubic ZrO2

    NASA Astrophysics Data System (ADS)

    Jiang, Chao; Liu, Xiang-Yang; Sickafus, Kurt E.

    2011-02-01

    Fission product incorporation in ceramic fuels has long been an active area of research. In this work, we consider a special case of xenon incorporation in ZrO2 in the framework of closed systems under extreme radiation conditions where thermal defects are less important than cascade driven defects. The energetics of a variety of defect configurations associated with xenon incorporation are considered. We use first-principles density-functional theory (DFT) calculations to predict the thermodynamic stability of xenon in different ZrO2 structural forms, including monoclinic, tetragonal, and yttrium-stabilized cubic ZrO2. Two defect configurations are found to dominate the fission gas incorporation process: xenon interstitial and oxygen substitutional configurations. In yttrium-stabilized cubic ZrO2, the pre-existing structural oxygen vacancies provide ideal sites for Xe incorporation since no oxygen Frenkel pairs need to be formed. The charge-transfer issue in oxides modeling is important in defects calculations. This issue has also been addressed through our supercell benchmark calculations.

  3. Density functional theory insights into the structural stability and Li diffusion properties of monoclinic and orthorhombic Li2FeSiO4 cathodes

    NASA Astrophysics Data System (ADS)

    Lu, Xia; Chiu, Hsien-Chieh; Bevan, Kirk H.; Jiang, De-Tong; Zaghib, Karim; Demopoulos, George P.

    2016-06-01

    Lithium iron orthosilicate (Li2FeSiO4) is an important alternative cathode for next generation Li-ion batteries due to its high theoretical capacity (330 mA h/g). However, its development has faced great challenges arising from significant structural complexity, including the disordered arrangement/orientation of Fe/Si tetrahedra, polytypes and its poorly understood Li storage and transport properties. In this context, ab-initio calculations are employed to investigate the phase stability and Li diffusion profiles of both monoclinic (P21) and orthorhombic (Pmn21) Li2FeSiO4 orthosilicates. The calculations demonstrate that formation of Lisbnd Fe antisites can induce a metastability competition between both phases, with neither dominating across nearly the entire discharging profile from Li2FeSiO4 through to LiFeSiO4. Furthermore, structural instability is shown to be a serious concern at discharge concentrations below LiFeSiO4 (1 Li extraction) due to the shared occupation of Li donated electrons with oxygen 2p orbitals - rather than the hypothesized transition to a tetravalent Fe4+ state. This finding is further supported by diffusion calculations that have determined a high activation energy barrier towards fast charging and rapid phase transitions. In summary, these theoretical results provide critical and timely insight into the structural dynamics of lithium iron orthosilicate, in pursuit of high energy density cathodes.

  4. EPR studies of gamma-irradiated taurine single crystals

    NASA Astrophysics Data System (ADS)

    Bulut, A.; Karabulut, B.; Tapramaz, R.; Köksal, F.

    2000-04-01

    An EPR study of gamma-irradiated taurine [C 2H 7NO 3S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of 32ṠO -2 and 33ṠO -2 radicals. The hyperfine values of 33ṠO -2 radical were used to obtain O-S-O bond angle for both sites.

  5. A Neutron Study of the Structure and Lattice Dynamics of Single Crystal PZT

    NASA Astrophysics Data System (ADS)

    Gehring, Peter

    2011-03-01

    The outstanding piezoelectric properties of PbZr 1-x Ti x O3 (PZT) perovskite ceramics have long been exploited in numerous device applications, making PZT arguably the most technologically important ferroelectric material in use today. Efforts to understand the piezoelectric mechanism have inspired a plethora of structural studies spanning decades, but solving the PZT phase diagram has proven to be famously problematic because single crystals have not been available save for Zr- and Ti-rich compositions that lie very near the end members PbZr O3 and PbTi O3 , where the piezoelectricity is weakest. Thus, whereas PZT has been the subject of thousands of powder and ceramic investigations, no consensus regarding the crystal structures of PZT exists. We report the first neutron diffraction study of single-crystal PZT with compositions x = 0.325 and 0.460. Our data refute the thesis that the ferroelectric phases of PZT within this composition range, all of which are highly piezoelectric, are purely monoclinic (Cc or Cm). The broadening of certain Bragg peaks can be interpreted in terms of coexisting rhombohedral and monoclinic domains, whereby monoclinic order is enhanced by Ti-doping. This is consistent with the theoretical proposal that the tendency to form macroscopic monoclinic phases facilitates the mechanism of polarization rotation by reducing the energy required to reorient the electric polarization. Dispersions of the lowest energy TO and TA phonon modes were measured on a single crystal of PZT with x = 0.325 in the paraelectric phase at 650 K. The TO mode energy drops at small wave-vectors suggesting that it is a soft mode associated with the ferroelectric phase transition at 590 K. Evidence of a second soft-mode, corresponding to a phase transition at 370 K at the R-point, is provided based on the redistribution of spectral weight as a function of temperature.

  6. Polymerized Complex Sol-Gel Synthesis, Structural and Optical Properties of Monoclinic Eu3+ Doped KGd(WO4)2 Crystalline Red Phosphors

    NASA Astrophysics Data System (ADS)

    Thangaraju, D.; Durairajan, A.; Babu, S. Moorthy; Hayakawa, Y.

    2011-10-01

    1% Eu3+ doped KGd(WO4)2 (KGW) was synthesized through Pechini sol-gel process and crystallized by subsequent annealing at high temperature. Potassium nitrate, gadolinium nitrate and ammonium para tungstate precursors were mixed with citric acid and ethylene glycol to synthesis the polymerizable complex gel. The gel was heated to 250 °C for decomposition of polymer, which after the brownish white powder was used to synthesis the pure form of 1% Eu:KGW. The pre-fired powder was further heated at high temperature/s (550, 600, 650 and 700 °C) for calcination. The properties of heat treated samples were characterized by powder XRD, FT-IR, Raman, FESEM and fluorescence analysis to understand the crystallinity, organic liberation, tungstate ribbon formation, surface morphology and emission nature, respectively. Phase evaluation from the amorphous pre-fired sample to well crystalline KGW powder formation was confirmed with powder XRD analysis. Powders calcined at 600 °C show the appearance of monoclinic phase of KGW. Crystalline peaks without intermediate compound peaks were observed for samples calcined at 700 °C. Gel degradation and formation of double tungstate was clearly seen in the FT-IR spectrum. FT-IR spectrum of synthesized gel also, confirms the citrate formation and etherification. FESEM analysis reveals the size and morphology of the powder. Double tungstate formation from the amorphous powder was analyzed using laser Raman spectral analysis. The emission property of the europium doped KGW was analyzed using fluorescence. Changes in emission intensity was observed for samples calcined at different temperatures.

  7. Crystal structures of N-(pyridin-2-ylmeth-yl)pyrazine-2-carboxamide (monoclinic polymorph) and N-(pyridin-4-ylmeth-yl)pyrazine-2-carboxamide.

    PubMed

    Cati, Dilovan S; Stoeckli-Evans, Helen

    2014-07-01

    The title compounds, C11H10N4O (HL1) and C11H10N4O (HL2), are pyridine 2-ylmethyl and 4-ylmethyl derivatives, respectively, of pyrazine-2-carboxamide. HL1 was measured at 153 K and crystallized in the monoclinic space group P21/c with Z = 4. There has been a report of the same structure measured at room temperature but assumed to crystallize in the triclinic space group P-1 with Z = 4 [Sasan et al. (2008 ▶). Monatsh. Chem. 139, 773-780]. In HL1, the pyridine ring is inclined to the pyrazine ring by 61.34 (6)°, while in HL2 this dihedral angle is 84.33 (12)°. In both mol-ecules, there is a short N-H⋯N inter-action involving the pyrazine carboxamide unit. In the crystal of HL1, mol-ecules are linked by N-H⋯N hydrogen bonds, forming inversion dimers with an R 2 (2)(10) ring motif. The dimers are linked via bifurcated-acceptor C-H⋯O hydrogen bonds, forming sheets lying parallel to (102). The sheets are linked via C-H⋯N hydrogen bonds, forming a three-dimensional structure. In the crystal of HL2, mol-ecules are linked by N-H⋯N and C-H⋯N hydrogen bonds to form chains propagating along [010]. The chains are linked via C-H⋯O hydrogen bonds, forming sheets lying parallel to (100). Within the sheets there are π-π inter-actions involving neighbouring pyrazine rings [inter-centroid distance = 3.711 (15) Å]. Adjacent sheets are linked via parallel slipped π-π inter-actions involving inversion-related pyridine rings [inter-centroid distance = 3.6395 (17) Å], forming a three-dimensional structure. PMID:25161497

  8. Crystal structure of a new monoclinic polymorph of 2,4-di­hydroxy­benzaldehyde 4-methyl­thio­semi­carbazone

    PubMed Central

    Salam, M. A.; Hussein, Mouayed A.; Tiekink, Edward R. T.

    2015-01-01

    The title compound, C9H11N3O2S, is a second monoclinic (P21/c) polymorph of the previously reported Cc form [Tan et al. (2008b ▸). Acta Cryst. E64, o2224]. The mol­ecule is non-planar, with the dihedral angle between the N3CS residue (r.m.s. deviation = 0.0816 Å) and the benzene ring being 21.36 (4)°. The conformation about the C=N bond [1.292 (2) Å] is E, the two N-bound H atoms are anti, and the inner hy­droxy O-bound and outer amide N-bound H atoms form intra­molecular hydrogen bonds to the imine N atom. Crucially, the H atom of the outer hy­droxy group is approximately syn to the H atom of the benzene C atom connecting the two C atoms bearing the hy­droxy substituents. This arrangement enables the formation of supra­molecular tubes aligned along [010] and sustained by N—H⋯O, O—H⋯S and N—H⋯S hydrogen bonds; the tubes pack with no specific inter­actions between them. While the mol­ecular structure in the Cc form is comparable, the H atom of the outer hy­droxy group is approximately anti, rather than syn. This different orientation leads to the formation a three-dimensional architecture based on N—H⋯O and O—H⋯S hydrogen bonds. PMID:25705451

  9. Electrochemical characterization of monoclinic and orthorhombic Li3CrF6 as positive electrodes in lithium-ion batteries synthesized by a sol-gel process with environmentally benign chemicals

    NASA Astrophysics Data System (ADS)

    Lieser, Georg; Winkler, Volker; Geßwein, Holger; de Biasi, Lea; Glatthaar, Sven; Hoffmann, M. J.; Ehrenberg, Helmut; Binder, Joachim R.

    2015-10-01

    Lithium transition metal fluorides (Li3MF6; M = Fe, V) with cryolite structure are investigated as positive electrode materials for lithium-ion batteries. A novel sol-gel process with trifluoroacetic acid as fluorine source was used to synthesize monoclinic and orthorhombic Li3CrF6. A ball milling process with Li3CrF6, binder, and conductive agent was applied to form a Li3CrF6 composite, which was electrochemically characterized against lithium metal for the first time. The electrochemical properties of two different modifications are quite similar, with a reversible specific capacity of 111 mAhg-1 for monoclinic Li3CrF6 and 106 mAhg-1 for orthorhombic Li3CrF6 (1 eq. Li ≙ 143 mAhg-1). The electrochemically active redox couple CrIII/CrII was confirmed by X-ray photoelectron spectroscopy.

  10. High pressure phase transitions in lawsonite at simultaneous high pressure and temperature: A single crystal study

    NASA Astrophysics Data System (ADS)

    O'Bannon, E. F., III; Vennari, C.; Beavers, C. C. G.; Williams, Q. C.

    2015-12-01

    Lawsonite (CaAl2Si2O7(OH)2.H2O) is a hydrous mineral with a high overall water content of ~11.5 wt.%. It is a significant carrier of water in subduction zones to depths greater than ~150 km. The structure of lawsonite has been extensively studied under room temperature, high-pressure conditions. However, simultaneous high-pressure and high-temperature experiments are scarce. We have conducted synchrotron-based simultaneous high-pressure and temperature single crystal experiments on lawsonite up to a maximum pressure of 8.4 GPa at ambient and high temperatures. We used a natural sample of lawsonite from Valley Ford, California (Sonoma County). At room pressure and temperature lawsonite crystallizes in the orthorhombic system with Cmcm symmetry. Room temperature compression indicates that lawsonite remains in the orthorhombic Cmcm space group up to ~9.0 GPa. Our 5.0 GPa crystal structure is similar to the room pressure structure, and shows almost isotropic compression of the crystallographic axes. Unit cell parameters at 5.0 GPa are a- 5.7835(10), b- 8.694(2), and c- 13.009(3). Single-crystal measurements at simultaneous high-pressure and temperature (e.g., >8.0 GPa and ~100 oC) can be indexed to a monoclinic P-centered unit cell. Interestingly, a modest temperature increase of ~100 oC appears to initiate the orthorhombic to monoclinic phase transition at ~0.6-2.4 GPa lower than room temperature compression studies have shown. There is no evidence of dehydration or H atom disorder under these conditions. This suggests that the orthorhombic to monoclinic transition could be kinetically impeded at 298 K, and that monoclinic lawsonite could be the dominant water carrier through much of the depth range of upper mantle subduction processes.

  11. Studies on synthesis, growth, structural, optical properties of organic 8-hydroxyquinolinium succinate single crystals

    NASA Astrophysics Data System (ADS)

    Thirumurugan, R.; Anitha, K.

    2014-04-01

    8-hydroxyquinolinium succinate (8HQSU), an organic material has been synthesized and single crystals were grown by employing the technique of slow evaporation. The structure of the grown crystal was elucidated by using single crystal X-ray diffraction analysis. 8HQSU crystal belongs to the monoclinic crystallographic system with non-centro symmetric space group of P21. FT-IR spectral investigation has been carried out to identify the various functional groups present in the grown crystal. UV-vis spectral studies reveal that 8HQSU crystals are transparent in the entire visible region and the cut-off wavelength has been found to be 220nm.

  12. Studies on synthesis, growth, structural, optical properties of organic 8-hydroxyquinolinium succinate single crystals

    SciTech Connect

    Thirumurugan, R. Anitha, K.

    2014-04-24

    8-hydroxyquinolinium succinate (8HQSU), an organic material has been synthesized and single crystals were grown by employing the technique of slow evaporation. The structure of the grown crystal was elucidated by using single crystal X-ray diffraction analysis. 8HQSU crystal belongs to the monoclinic crystallographic system with non-centro symmetric space group of P2{sub 1}. FT-IR spectral investigation has been carried out to identify the various functional groups present in the grown crystal. UV–vis spectral studies reveal that 8HQSU crystals are transparent in the entire visible region and the cut-off wavelength has been found to be 220nm.

  13. A monoclinic polymorph of 4-(2H-1,3-benzodioxol-5-yl)-1-(4-methyl­phen­yl)-1H-pyrazol-5-amine

    PubMed Central

    Jotani, Mukesh M.; Gajera, Nilesh N.; Patel, Mukesh C.; Sung, Herman H. Y.; Tiekink, Edward R. T.

    2015-01-01

    The title compound, C17H15N3O2, is a monoclinic polymorph (P21/c with Z′ = 1) of the previously reported triclinic (P-1 with Z′ = 2) form [Gajera et al. (2013 ▸). Acta Cryst. E69, o736–o737]. The mol­ecule in the monoclinic polymorph features a central pyrazolyl ring with an N-bound p-tolyl group and a C-bound 1,3-benzodioxolyl fused-ring system on either side of the C atom bearing the amino group. The dihedral angles between the central ring and the N- and C-bound rings are 50.06 (5) and 27.27 (5)°, respectively. The angle between the pendent rings is 77.31 (4)°, indicating the mol­ecule has a twisted conformation. The five-membered dioxolyl ring has an envelope conformation with the methyl­ene C atom being the flap. The relative disposition of the amino and dioxolyl substituents is syn. One of the independent mol­ecules in the triclinic form has a similar syn disposition but the other has an anti arrangement of these substituents. In the crystal structure of the monoclinic form, mol­ecules assemble into supra­molecular helical chains via amino–pyrazolyl N—H⋯N hydrogen bonds. These are linked into layers via C—H⋯π inter­actions, and layers stack along the a axis with no specific inter­actions between them. PMID:26594387

  14. Preparation of monoclinic 0.9(BiFeO3)-0.1(BiCoO3) epitaxial films on orthorhombic YAlO3 (100) substrates by r.f. magnetron sputtering

    NASA Astrophysics Data System (ADS)

    Ichinose, T.; Naganuma, H.; Mukaiyama, K.; Oogane, M.; Ando, Y.

    2015-01-01

    0.9BiFeO3-0.1BiCoO3 (BFCO) films (t=100 nm) were prepared on orthorhombic YAlO3 (YAO) (100) substrates by r.f. magnetron sputtering. Film flatness, crystallinity, crystal symmetry, and secondary phase formation are strongly affected by the pressure of the sputtering gasses, Ar and O2. Phi-scan measurements showed that the films were epitaxially grown on the substrates, with the crystal relation [101]p(101)p BFCO||[101]p(101)p YAO. X-ray reciprocal space mapping revealed that the crystal symmetry of the BFCO films was a pseudo-cubic-like monoclinic structure, with MC phase, rather than the Cm symmetry of the bulk BFCO. Cross-sectional transmission electron microscopy analysis revealed that the film had, as a result of a lattice misfit of 7%, strong compressive strain less than 10 nm from the interface, which relaxed monotonically with increasing distance from the interface. Magnetic measurements show that strained monoclinic BFCO has smaller magnetization compared to rhombohedral BFCO.

  15. Symmetry of piezoelectric (1–x)Pb(Mg1/3Nb2/3)O₃-xPbTiO₃ (x=0.31) single crystal at different length scales in the morphotropic phase boundary region

    DOE PAGESBeta

    Kim, Kyou-Hyun; Payne, David A.; Zuo, Jian-Min

    2012-11-29

    We use probes of three different length scales to examine symmetry of (1–x)Pb(Mg1/3Nb2/3)O₃-xPbTiO₃ (PMN-xPT) single crystals in the morphotropic phase boundary (MPB) region at composition x = 0.31 (PMN-31% PT). On the macroscopic scale, x-ray diffraction (XRD) shows a mixture of strong and weak diffraction peaks of different widths. The closest match to XRD peak data is made with monoclinic Pm (MC) symmetry. On the local scale of a few nanometers, convergent beam electron diffraction (CBED) studies, with a 1.6-nm electron probe, reveal no obvious symmetry. These CBED experimental patterns can be approximately matched with simulations based on monoclinic symmetry,more » which suggests locally distorted monoclinic structure. A monoclinic Cm (MA or MB)-like symmetry could also be obtained from certain regions of the crystal by using a larger electron probe size of several tens of nanometers in diameter. Thus the monoclinic symmetry of single crystal PMN-31%PT is developed only in parts of the crystal by averaging over locally distorted structure on the scale of few tens of nanometers. The macroscopic symmetry observed by XRD is a result of averaging from the local structure in PMN-31%PT single crystal. The lack of local symmetry at a few nanometers scale suggests that the polarization switching results from a change in local displacements, which are not restricted to specific symmetry planes or directions.« less

  16. Dicarboxylate assisted synthesis of the monoclinic heterometallic tetrathiocyanato bridged copper(II) and mercury(II) coordination polymer {l_brace}Cu[Hg(SCN){sub 4}]{r_brace}{sub n}: Synthesis, structural, vibration, luminescence, EPR studies and DFT calculations

    SciTech Connect

    Khandar, Ali Akbar; Klein, Axel; Bakhtiari, Akbar; Mahjoub, Ali Reza; Pohl, Roland W.H.

    2011-02-15

    The synthesis of the monoclinic polymorph of {l_brace}Cu[Hg(SCN){sub 4}]{r_brace}{sub n} is reported. The compound, as determined by X-ray diffraction of a twinned crystal, consists of mercury and copper atoms linked by {mu}{sub 1,3}-SCN bridges. The crystal packing shows a highly porous infinite 3D structure. Diagnostic resonances for the SCN{sup -} ligand and metal-ligand bonds in the IR, far-IR and Raman spectra are assigned and discussed. The electronic band structure along with density of states (DOS) calculated by the DFT method indicates that the compound is an indirect band gap semiconductor. The DFT calculations show that the observed luminescence of the compound arises mainly from an excited LLCT state with small MLCT contributions (from the copper to unoccupied {pi}{sup *} orbital of the thiocyanate groups). The X-band EPR spectrum of the powdered sample at room temperature reveals an axial signal with anisotropic g factors consistent with the unpaired electron of Cu(II) ion in the d{sub x}{sup 2}{sub -y}{sup 2} orbital. -- Graphical abstract: Synthesis and X-ray structure determination of the monoclinic {l_brace}Cu[Hg(SCN){sub 4}]{r_brace}{sub n} is reported. The IR, far-IR, Raman, photoluminescence as well as EPR spectra of the compound is discussed. Also, the emission and semiconducting behavior of the compound is illustrated through the density functional theory calculation of electronic band structure along with density of states. Display Omitted Research highlights: > The monoclinic {l_brace}Cu[Hg(SCN){sub 4}]{r_brace}{sub n} has been prepared. > The structure of the compound is determined by XRD of a twinned crystal. > The IR, far-IR, Raman, EPR and emission spectra of the compound is investigated. > As shown by DFT calculations, the emission bands of the compound are mainly LLCT. > Small MLCT from the copper to the thiocyanate groups contributes to these bands.

  17. A monoclinic, pseudo-orthorhombic Au-Hg mineral of potential economic significance in Pleistocene Snake River alluvial deposits of southeastern Idaho

    USGS Publications Warehouse

    Desborough, G.A.; Foord, E.E.

    1992-01-01

    A mineral with the approximate composition of Au94Hg6 - Au88Hg12 (atomic %) has been identified in Pleistocene Snake River alluvial deposits. The gold-mercury mineral occurs as very small grains or as polycrystalline masses composed of subhedral to nearly euhedral attached crystals. Vibratory cold-polishing techniques with 0.05-??m alumina abrasive for polished sections revealed a porous internal texture for most subhedral crystals after 48-72 hours of treatment. Thus, optical character (isotropic or anisotropic) could not be determined by reflected-light microscopy, and pore-free areas were too small for measurement of reflectance. X-ray-diffraction lines rather than individual reflections (spots), on powder camera X-ray films of unrotated spindles of single grains that morphologically appear to be single crystals, indicate that individual subhedral or euhedral crystals are composed of domains in random orientation. Thus, no material was found suitable for single-crystal X-ray diffraction studies. -from Authors

  18. Crystal structure of (E)-2-(4-chloro­benzyl­idene)-3,4-di­hydro­naphthalen-1(2H)-one: a second monoclinic polymorph

    PubMed Central

    Haroon, Muhammad; Akhtar, Tashfeen; Tahir, Muhammad Nawaz

    2015-01-01

    The title compound, C17H13ClO, is the second monoclinic polymorph to crystallize in the space group P21/c. The first polymorph crystallized with two independent mol­ecules in the asymmetric unit [Bolognesi et al. (1975 ▸). Acta Cryst. A31, S119; Z′ = 2; no atomic coordinates available], whereas the title compound has Z′ = 1. In the title polymorph, the dihedral angle between the plane of the benzene ring of the tetra­lone moiety and that of the 4-chloro­benzyl ring is 52.21 (11)°. The cyclo­hex-2-en-1-one ring of the tetra­lone moiety has a screw-boat conformation. In the crystal, mol­ecules are liked by pairs of C—H⋯π inter­actions forming inversion dimers. There are no other significant inter­molecular inter­actions present. PMID:26594452

  19. Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and ab initio time-dependent density-functional theory

    NASA Astrophysics Data System (ADS)

    Guedj, C.; Hung, L.; Zobelli, A.; Blaise, P.; Sottile, F.; Olevano, V.

    2014-12-01

    The effect of nanocrystal orientation on the energy loss spectra of monoclinic hafnia (m-HfO2) is measured by high resolution transmission electron microscopy (HRTEM) and valence energy loss spectroscopy (VEELS) on high quality samples. For the same momentum-transfer directions, the dielectric properties are also calculated ab initio by time-dependent density-functional theory (TDDFT). Experiments and simulations evidence anisotropy in the dielectric properties of m-HfO2, most notably with the direction-dependent oscillator strength of the main bulk plasmon. The anisotropic nature of m-HfO2 may contribute to the differences among VEELS spectra reported in literature. The good agreement between the complex dielectric permittivity extracted from VEELS with nanometer spatial resolution, TDDFT modeling, and past literature demonstrates that the present HRTEM-VEELS device-oriented methodology is a possible solution to the difficult nanocharacterization challenges given in the International Technology Roadmap for Semiconductors.

  20. Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and ab initio time-dependent density-functional theory

    SciTech Connect

    Guedj, C.; Hung, L.; Sottile, F.; Zobelli, A.; Blaise, P.; Olevano, V.

    2014-12-01

    The effect of nanocrystal orientation on the energy loss spectra of monoclinic hafnia (m-HfO{sub 2}) is measured by high resolution transmission electron microscopy (HRTEM) and valence energy loss spectroscopy (VEELS) on high quality samples. For the same momentum-transfer directions, the dielectric properties are also calculated ab initio by time-dependent density-functional theory (TDDFT). Experiments and simulations evidence anisotropy in the dielectric properties of m-HfO{sub 2}, most notably with the direction-dependent oscillator strength of the main bulk plasmon. The anisotropic nature of m-HfO{sub 2} may contribute to the differences among VEELS spectra reported in literature. The good agreement between the complex dielectric permittivity extracted from VEELS with nanometer spatial resolution, TDDFT modeling, and past literature demonstrates that the present HRTEM-VEELS device-oriented methodology is a possible solution to the difficult nanocharacterization challenges given in the International Technology Roadmap for Semiconductors.

  1. Symmetry of piezoelectric (1–x)Pb(Mg1/3Nb2/3)O₃-xPbTiO₃ (x=0.31) single crystal at different length scales in the morphotropic phase boundary region

    SciTech Connect

    Kim, Kyou-Hyun; Payne, David A.; Zuo, Jian-Min

    2012-11-29

    We use probes of three different length scales to examine symmetry of (1–x)Pb(Mg1/3Nb2/3)O₃-xPbTiO₃ (PMN-xPT) single crystals in the morphotropic phase boundary (MPB) region at composition x = 0.31 (PMN-31% PT). On the macroscopic scale, x-ray diffraction (XRD) shows a mixture of strong and weak diffraction peaks of different widths. The closest match to XRD peak data is made with monoclinic Pm (MC) symmetry. On the local scale of a few nanometers, convergent beam electron diffraction (CBED) studies, with a 1.6-nm electron probe, reveal no obvious symmetry. These CBED experimental patterns can be approximately matched with simulations based on monoclinic symmetry, which suggests locally distorted monoclinic structure. A monoclinic Cm (MA or MB)-like symmetry could also be obtained from certain regions of the crystal by using a larger electron probe size of several tens of nanometers in diameter. Thus the monoclinic symmetry of single crystal PMN-31%PT is developed only in parts of the crystal by averaging over locally distorted structure on the scale of few tens of nanometers. The macroscopic symmetry observed by XRD is a result of averaging from the local structure in PMN-31%PT single crystal. The lack of local symmetry at a few nanometers scale suggests that the polarization switching results from a change in local displacements, which are not restricted to specific symmetry planes or directions.

  2. Thermally induced single crystal to single crystal transformation leading to polymorphism

    NASA Astrophysics Data System (ADS)

    Saha, Rajat; Biswas, Susobhan; Dey, Sanjoy Kumar; Sen, Arijit; Roy, Madhusudan; Steele, Ian M.; Dey, Kamalendu; Ghosh, Ashutosh; Kumar, Sanjay

    2014-09-01

    The robust complex [La(1,10-phen)2(NO3)3] (1,10-phen = 1,10-phenanthroline) exhibits thermally induced single crystal to single crystal transformation from one polymorphic phase to another. The complex crystallizes in monoclinic C2/c space group with C2 molecular symmetry at 293 K while at 100 K it shows P21/c space group with C1 molecular symmetry. Supramolecular investigation shows that at 100 K the complex forms 2D achiral sheets whereas at 293 K forms two different homochiral 2D sheets. Low temperature DSC analysis indicates that this structural transformation occurs at 246 K and also this transformation is reversible in nature. We have shown that thermally induced coherent movement of ligands changes the molecular symmetry of the complex and leads to polymorphism. Photoluminescence property of complex has been studied in both solid state and in methanolic solution at room temperature. The effect of the presence low-lying LUMO orbital of π-character in the complex is elucidated by theoretical calculation using DFT method.

  3. Comparative analysis of crystal-field parameters for rare-earth ions at monoclinic sites in AB(WO4)2 crystals: II. Pr3+ and Nd3+ ions in KRE(WO4)2 (RE = Y or Gd), Pr3+ ions in M+ Bi(XO4)2 (M+ = Li or Na and X = W or Mo), and Nd3+ ions in NaBi(WO4)2 and AgNd(WO4)2.

    PubMed

    Rudowicz, Czesław; Karbowiak, Mirosław; Gnutek, Paweł; Lewandowska, Monika

    2014-02-12

    correlated fitting technique to independently obtain and additionally verify the fitted CFPs based on published energy levels data. Multiple correlated fittings offer an advantage over the single-fitting tactics by enabling an improved fine-tuning of the final fitted CFPs as well as their interpretation and comparability with the sets obtained by others. The present consistent methodology may enable better understanding of the intricate aspects inherent in the spectroscopic studies for other ion-host systems exhibiting orthorhombic, monoclinic, and triclinic site symmetry. PMID:24441523

  4. Temperature and field induced strain measurements in single crystal Gd5Si2Ge2

    DOE PAGESBeta

    McCall, S. K.; Nersessian, N.; Carman, G. P.; Pecharsky, V. K.; Schlagel, D. L.; Radousky, H. B.

    2016-03-29

    The first-order magneto-structural transformation that occurs in Gd5Si2Ge2 near room temperature makes it a strong candidate for many energy harvesting applications. Understanding the single crystal properties is crucial for allowing simulations of device performance. In this study, magnetically and thermally induced transformation strains were measured in a single crystal of Gd5Si2.05Ge1.95 as it transforms from a high-temperature monoclinic paramagnet to a lower-temperature orthorhombic ferromagnet. Thermally induced transformation strains of –8500 ppm, +960 ppm and +1800 ppm, and magnetically induced transformation strains of –8500 ppm, +900 ppm and +2300 ppm were measured along the a, b and c axes, respectively. Furthermore,more » using experimental data coupled with general thermodynamic considerations, a universal phase diagram was constructed showing the transition from the monoclinic to the orthorhombic phase as a function of temperature and magnetic field.« less

  5. Synthesis and X-ray structural studies of novel metal-organic complex: Diiodobis(2-aminopyridine)cadmium(II) single crystal

    NASA Astrophysics Data System (ADS)

    Venkatesan, G.; Anandha, G. Babu; Ramasamy, P.

    2013-02-01

    A new metal-organic hybrid complex, [Cd(ap)2I2] (DIAC), (ap = 2-aminopyridine) was synthesized and characterized by single crystal X-ray diffraction, High resolution X-ray diffraction(HRXRD) and UV-Vis-NIR transmission. The DIAC crystallize in monoclinic crystal system, space group P21/n. The coordination geometry around the Cd(II) centre is a distorted tetrahedral. The high resolution X-ray diffraction studies (HRXRD) reveals that the crystalline perfection of as grown single crystal is fairly good.

  6. Effect of gamma ray irradiation on sodium borate single crystals

    NASA Astrophysics Data System (ADS)

    Kalidasan, M.; Asokan, K.; Baskar, K.; Dhanasekaran, R.

    2015-12-01

    In this work, the effects of 5 kGy, 10 kGy and 20 kGy doses of gamma ray irradiation on sodium borate, Na2[B4O5(OH)4]·(H2O)8 single crystals have been studied. Initially these crystals were grown by solution growth technique and identified as monoclinic using X-ray diffraction analysis. X-ray rocking curves confirm the formation of crystalline defects due to gamma rays in sodium borate single crystals. The electron paramagnetic resonance spectra have been recorded to identify the radicals created due to gamma ray irradiation in sodium borate single crystals. The thermoluminescence glow curves due to the defects created by gamma rays in this crystal have been observed and their kinetic parameters were calculated using Chen's peak shape method. The optical absorption increases and photoluminescence spectral intensity decreases for 5 kGy and 20 kGy doses gamma ray irradiated crystals compared to pristine and 10 kGy dose irradiated one. The effect of various doses of gamma rays on vibrational modes of the sodium borate single crystals was studied using FT-Raman and ATR-FTIR spectral analysis. The dielectric permittivity, conductance and dielectric loss versus frequency graphs of these crystals have been analyzed to know the effect of gamma ray irradiation on these parameters.

  7. One-dimensional SnF{sub 2} single crystals in the inner channels of single-wall carbon nanotubes: II. Structure and nanocomposite construction modeling

    SciTech Connect

    Zakalyukin, R. M. Demyanets, L. N.; Kiselev, N. A.

    2010-07-15

    A structural model of the nanocomposite consisting of one-dimensional (1D) {alpha}-SnF{sub 2} single crystals and single-wall carbon nanotubes (SWCNTs) is proposed. The main cationic motif is revealed in the structure of monoclinic modification: two-layer packing of tin cations along the [283] direction. Four theoretical structural projections of a 1D crystal on the plane parallel to the [283] direction are determined and described. A fragment of the {alpha}-SnF{sub 2} structure in an SWCNT (with a channel diameter of 1.02 nm) is calculated. High-resolution electron microscopy (HREM) images are modeled. These images correspond to the actually observed HREM patterns.

  8. Single crystal growth, crystal structure and characterization of a novel crystal: L-arginine 4-nitrophenolate 4-nitrophenol dehydrate (LAPP)

    NASA Astrophysics Data System (ADS)

    Wang, L. N.; Wang, X. Q.; Zhang, G. H.; Liu, X. T.; Sun, Z. H.; Sun, G. H.; Wang, L.; Yu, W. T.; Xu, D.

    2011-07-01

    A novel organic crystal, L-arginine 4-nitrophenolate 4-nitrophenol dehydrate (LAPP), synthesized and grown from aqueous solution, is presented. X-ray single diffraction shows that LAPP belongs to the monoclinic crystallographic system with space group P2 1. FT-IR and UV/vis/NIR transmission spectra have been employed to characterize the crystal. The computational calculation based on the density functional theory at the B3LYP/6-31G (d, p) level has been used to compute the first-order hyperpolarizability of LAPP relating to different molecular models. The morphology, nonlinear characteristic and thermal stability of the crystal have also been investigated.

  9. A monoclinic polymorph of [(Z)-N-(3-chloro­phen­yl)-O-methyl­thio­carbamato-κS](tri­phenyl­phosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis

    PubMed Central

    Yeo, Chien Ing; Tan, Sang Loon; Tiekink, Edward R. T.

    2016-01-01

    The title compound, [Au(C8H7ClNOS)(C18H15P)], is a monoclinic (P21/n, Z′ = 1; form β) polymorph of the previously reported triclinic form (P-1, Z′ = 1; form α) [Tadbuppa & Tiekink (2010 ▸). Acta Cryst. E66, m664]. The mol­ecular structures of both forms feature an almost linear gold(I) coordination geometry [P—Au—S = 175.62 (5)° in the title polymorph], being coordinated by thiol­ate S and phosphane P atoms, a Z conformation about the C=N bond and an intra­molecular Au⋯O contact. The major conformational difference relates to the relative orientations of the residues about the Au—S bond: the P—Au—S—C torsion angles are −8.4 (7) and 106.2 (7)° in forms α and β, respectively. The mol­ecular packing of form β features centrosymmetric aggregates sustained by aryl-C—H⋯O inter­actions, which are connected into a three-dimensional network by aryl-C—H⋯π contacts. The Hirshfeld analysis of forms α and β shows many similarities with the notable exception of the influence of C—H⋯O inter­actions in form β. PMID:27536384

  10. A monoclinic polymorph of [(Z)-N-(3-chloro-phen-yl)-O-methyl-thio-carbamato-κS](tri-phenyl-phosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis.

    PubMed

    Yeo, Chien Ing; Tan, Sang Loon; Tiekink, Edward R T

    2016-08-01

    The title compound, [Au(C8H7ClNOS)(C18H15P)], is a monoclinic (P21/n, Z' = 1; form β) polymorph of the previously reported triclinic form (P-1, Z' = 1; form α) [Tadbuppa & Tiekink (2010 ▸). Acta Cryst. E66, m664]. The mol-ecular structures of both forms feature an almost linear gold(I) coordination geometry [P-Au-S = 175.62 (5)° in the title polymorph], being coordinated by thiol-ate S and phosphane P atoms, a Z conformation about the C=N bond and an intra-molecular Au⋯O contact. The major conformational difference relates to the relative orientations of the residues about the Au-S bond: the P-Au-S-C torsion angles are -8.4 (7) and 106.2 (7)° in forms α and β, respectively. The mol-ecular packing of form β features centrosymmetric aggregates sustained by aryl-C-H⋯O inter-actions, which are connected into a three-dimensional network by aryl-C-H⋯π contacts. The Hirshfeld analysis of forms α and β shows many similarities with the notable exception of the influence of C-H⋯O inter-actions in form β. PMID:27536384

  11. Dicarboxylate assisted synthesis of the monoclinic heterometallic tetrathiocyanato bridged copper(II) and mercury(II) coordination polymer {Cu[Hg(SCN) 4]} n: Synthesis, structural, vibration, luminescence, EPR studies and DFT calculations

    NASA Astrophysics Data System (ADS)

    Khandar, Ali Akbar; Klein, Axel; Bakhtiari, Akbar; Mahjoub, Ali Reza; Pohl, Roland W. H.

    2011-02-01

    The synthesis of the monoclinic polymorph of {Cu[Hg(SCN) 4]} n is reported. The compound, as determined by X-ray diffraction of a twinned crystal, consists of mercury and copper atoms linked by μ1,3-SCN bridges. The crystal packing shows a highly porous infinite 3D structure. Diagnostic resonances for the SCN - ligand and metal-ligand bonds in the IR, far-IR and Raman spectra are assigned and discussed. The electronic band structure along with density of states (DOS) calculated by the DFT method indicates that the compound is an indirect band gap semiconductor. The DFT calculations show that the observed luminescence of the compound arises mainly from an excited LLCT state with small MLCT contributions (from the copper to unoccupied π* orbital of the thiocyanate groups). The X-band EPR spectrum of the powdered sample at room temperature reveals an axial signal with anisotropic g factors consistent with the unpaired electron of Cu(II) ion in the dx2- y2 orbital.

  12. Single-Crystal Elasticity of Earth Materials: An Appraisal

    NASA Astrophysics Data System (ADS)

    Duffy, T. S.

    2015-12-01

    The elastic properties of minerals are of central importance for interpreting seismic data for the Earth's crust, mantle, and core. Mineral elasticity data also have more general applications towards understanding equations of state, phase equilibria, interatomic forces, material strength, and phase transitions. The singe-crystal elastic properties are the most generally useful as they provide complete information on the anisotropy of elastic moduli (e.g. Poisson's ratio, Young's modulus), sound velocities, and compressibility. Measurement of the full set of single-crystal elastic properties remains challenging especially for lower symmetry crystals. In this talk, I present an overview of our current understanding of single-crystal elasticity based on a newly constructed database of single-crystal elastic properties. At ambient conditions the full elastic tensor of about 150 minerals have now been measured, along with about another 60 related compounds that are not formally minerals. About two-thirds of the measured minerals are oxides or silicates. A limitation of the existing database is that only about 10% of the measurements are on crystals of monoclinic or triclinic symmetry, while these two systems account for about 40% of known minerals. Additionally, only a smaller subset of minerals have been examined at high pressure or temperature conditions. Several applications of the database will be presented emphasizing trends in elastic anisotropy. The pyroxenes will be used as an illustrative example.

  13. Growth and characterization of the nonlinear optical single crystal: L-lysine acetate

    NASA Astrophysics Data System (ADS)

    Sun, Z. H.; Zhang, G. H.; Wang, X. Q.; Cheng, X. F.; Liu, X. J.; Zhu, L. Y.; Fan, H. L.; Yu, G.; Xu, D.

    2008-05-01

    Single crystals of L-lysine acetate, an organic nonlinear optical (NLO) material, were grown by the controlled evaporation of its aqueous solutions. Its solubility in aqueous solution was determined gravimetrically. The grown crystals were characterized by the single-crystal diffraction, X-ray powder diffraction, Fourier transform infrared and Raman spectra. The structure analysis reveals that it belongs to the monoclinic crystallographic system, space group P2 1, with cell parameters: a=5.420(2) Å, b=7.542(4) Å, c=12.653(1) Å, β=91.73(1)°, Z=2 and V=516.8 Å 3. Experiments of thermogravimetric (TG) and differential thermal analysis (DTA) were carried out to study its thermal properties. The optical behaviours, including transmission spectrum and second harmonic generation (SHG), were investigated to study its linear and NLO properties.

  14. Investigation on crystalline perfection, mechanical, piezoelectric and ferroelectric properties of L-tartaric acid single crystal

    SciTech Connect

    Murugan, G. Senthil Ramasamy, P.

    2014-04-24

    Polar organic nonlinear optical material, L-tartaric acid single crystals have been grown from slow evaporation solution growth technique. Single crystal X-ray diffraction study indicates that the grown crystal crystallized in monoclinic system with space group P2{sub 1}. Crystalline perfection of the crystal has been evaluated by high resolution X-ray diffraction technique and it reveals that the crystal quality is good and free from structural grain boundaries. Mechanical stability of the crystal has been analyzed by Vickers microhardness measurement and it exhibits reverse indentation size effect. Piezoelectric d{sub 33} co-efficient for the crystal has been examined and its value is 47 pC/N. The ferroelectric behaviour of the crystal was analyzed by polarization-electric field hysteresis loop measurement.

  15. Fergusonite-type CeNbO{sub 4+δ}: Single crystal growth, symmetry revision and conductivity

    SciTech Connect

    Bayliss, Ryan D.; Pramana, Stevin S.; An, Tao; Wei, Fengxia; Kloc, Christian L.; White, Andrew J.P.; Skinner, Stephen J.; White, Timothy J.; Baikie, Tom

    2013-08-15

    Large fergusonite-type (ABO{sub 4}, A=Ce, B=Nb) oxide crystals, a prototype electrolyte composition for solid oxide fuel cells (SOFC), were prepared for the first time in a floating zone mirror furnace under air or argon atmospheres. While CeNbO{sub 4} grown in air contained CeNbO{sub 4.08} as a minor impurity that compromised structural analysis, the argon atmosphere yielded a single phase crystal of monoclinic CeNbO{sub 4}, as confirmed by selected area electron diffraction, powder and single crystal X-ray diffraction. The structure was determined in the standard space group setting C12/c1 (No. 15), rather than the commonly adopted I12/a1. AC impedance spectroscopy conducted under argon found that stoichiometric CeNbO{sub 4} single crystals showed lower conductivity compared to CeNbO{sub 4+δ} confirming interstitial oxygen can penetrate through fergusonite and is responsible for the higher conductivity associated with these oxides. - Graphical abstract: Large fergusonite-type CeNbO{sub 4} crystals were prepared for the first time in a floating zone mirror furnace. Crystal growth in an argon atmosphere yielded a single phase monoclinic CeNbO4, as confirmed by selected area electron diffraction, powder and single crystal X-ray diffraction. The structure was determined in the standard space group setting C12/c1 (No. 15), rather than the commonly adopted I12/a1. AC impedance spectroscopy found CeNbO{sub 4} single crystals showed lower conductivity compared to CeNbO{sub 4+δ} confirming interstitial oxygen can penetrate through fergusonite and is responsible for the higher conductivity associated with these oxides. Highlights: • Preparation of single crystals of CeNbO{sub 4} using a floating zone mirror furnace. • Correction to the crystal symmetry of the monoclinic form of CeNbO{sub 4}. • Report the conductivity of a single crystal of CeNbO{sub 4}.

  16. Single crystal growth of Al-based intermetallic phases being approximants to quasicrystals

    NASA Astrophysics Data System (ADS)

    Gille, Peter; Bauer, Birgitta; Hahne, Michael; Smontara, Ana; Dolinšek, Janez

    2011-03-01

    Decagonal (d) quasicrystals are formed in a number of Al-based ternary systems with d-AlCoNi being the best studied decagonal phase. They are highly anisotropic showing unusual properties of e.g. electric and thermal transport when measured along the periodic or quasiperiodic directions. For a long time, this has been attributed to the lack of periodicity in certain crystallographic orientations. Some neighbouring phases in the Al-Co-Ni system as well as in related ternaries consist of the same type of large icosahedral clusters, but are periodic in all three directions, sometimes with very large unit cells. Therefore, they are called approximants to the decagonal quasicrystals. They allow comparative studies of these phases as to judge whether some unusual properties of quasicrystals arise from the lack of periodicity or from the common atomic arrangements. Additional to decagonal AlCoNi quasicrystals, various approximants (monoclinic Al13(Co,Ni)4, orthorhombic Al13Co4, orthorhombic Al4(Cr,Fe), monoclinic Al13Fe4 and its ternary extensions Al13(Fe,Cr)4 and Al13(Fe,Ni)4) were grown by the Czochralski method as large single crystals as to carry out transport orientation-dependent measurements. It could be found that transport properties show remarkably similar anisotropic features when comparing corresponding crystallographic directions in these phases that can be related to the periodic stacking of layers.

  17. Template-free synthesis of BiVO4 nanostructures: II. Relationship between various microstructures for monoclinic BiVO4 and their photocatalytic activity for the degradation of rhodamine B under visible light

    NASA Astrophysics Data System (ADS)

    Ren, Lu; Ma, Lili; Jin, Lei; Wang, Jian-Bo; Qiu, Mingqiang; Yu, Ying

    2009-10-01

    The shape-controlled synthesis of nanostructured materials has opened up new possibilities to improve their physical and chemical properties. In this work, new types of monoclinic structured BiVO4 with complex morphologies, namely flowerlike, disclike, tubelike and platelike shapes, have been synthesized in a binary green solvent (water and ethanol) through controlling reaction conditions such as solvent, pH value, concentration of precursors and reaction temperature. The morphology of BiVO4 can transform from three-dimensional (3D) flowerlike superstructures and hexagonal-prismatic nanotubes to two-dimensional (2D) platelike and disclike structures. UV-vis absorption spectra show that all of the prepared nano- and microstructures can respond to visible light and the optical properties of BiVO4 samples are relevant to their structures. More importantly, the photocatalytic activities of various BiVO4 samples are strongly dependent on their morphology for the degradation of rhodamine B (RhB) under visible-light irradiation. The 2D (disclike and platelike) BiVO4 demonstrates better photocatalytic activity than 3D and bulk BiVO4. Among the nano- and microstructures, the nanoplate BiVO4 exhibit the highest photocatalytic activity for degradation of organic pollutants. Additionally, it is found that the different microstructure of BiVO4 leads to the different degradation route for organic compounds of RhB. The reasons for the differences in the photocatalytic behavior for these BiVO4 nanostructures are further discussed. The relationship between the microstructure and the photocatalytic activity for BiVO4 may give clues for the preparation of photocatalysts with high activity based on material morphology design. Moreover, the prepared 2D BiVO4 can be a good photocatalyst used in environmental pollution control.

  18. Template-free synthesis of BiVO4 nanostructures: II. Relationship between various microstructures for monoclinic BiVO4 and their photocatalytic activity for the degradation of rhodamine B under visible light.

    PubMed

    Ren, Lu; Ma, Lili; Jin, Lei; Wang, Jian-Bo; Qiu, Mingqiang; Yu, Ying

    2009-10-01

    The shape-controlled synthesis of nanostructured materials has opened up new possibilities to improve their physical and chemical properties. In this work, new types of monoclinic structured BiVO4 with complex morphologies, namely flowerlike, disclike, tubelike and platelike shapes, have been synthesized in a binary green solvent (water and ethanol) through controlling reaction conditions such as solvent, pH value, concentration of precursors and reaction temperature. The morphology of BiVO4 can transform from three-dimensional (3D) flowerlike superstructures and hexagonal-prismatic nanotubes to two-dimensional (2D) platelike and disclike structures. UV-vis absorption spectra show that all of the prepared nano- and microstructures can respond to visible light and the optical properties of BiVO4 samples are relevant to their structures. More importantly, the photocatalytic activities of various BiVO4 samples are strongly dependent on their morphology for the degradation of rhodamine B (RhB) under visible-light irradiation. The 2D (disclike and platelike) BiVO4 demonstrates better photocatalytic activity than 3D and bulk BiVO4. Among the nano- and microstructures, the nanoplate BiVO4 exhibit the highest photocatalytic activity for degradation of organic pollutants. Additionally, it is found that the different microstructure of BiVO4 leads to the different degradation route for organic compounds of RhB. The reasons for the differences in the photocatalytic behavior for these BiVO4 nanostructures are further discussed. The relationship between the microstructure and the photocatalytic activity for BiVO4 may give clues for the preparation of photocatalysts with high activity based on material morphology design. Moreover, the prepared 2D BiVO4 can be a good photocatalyst used in environmental pollution control. PMID:19738297

  19. X-ray and magnetic single-crystal analysis of the crystallographic structure of the Y 3(Fe 0.933V 0.067) 29 compound

    NASA Astrophysics Data System (ADS)

    Courtois, D.; Givord, D.; Lambert-Andron, B.; Bourgeat-Lami, E.; Amako, Y.; Li, H.-S.; Cadogan, J. M.

    1998-11-01

    The formation of a sizeable single crystal of the Nd 3(Fe,Ti) 29-type phase, namely Y 3(Fe 0.933V 0.067) 29 is reported. It was prepared by the solid-state transformation of a Y 2(Fe,V) 17 single crystal whose chemical composition is Y 3(Fe,V) 29. Initial disagreement between powder and single-crystal X-ray data has been resolved by performing magnetization measurements on single crystal. These measurements show a peculiar behaviour and have been quantitatively analysed by considering that the crystal is actually twinned. Refinement of the single-crystal data is then re-examined and confirms the monoclinic structure already reported for this system.

  20. Optical and structural properties of chalcone NLO single crystals

    NASA Astrophysics Data System (ADS)

    Rajesh Kumar, P. C.; Ravindrachary, V.; Janardhana, K.; Manjunath, H. R.; Karegouda, Prakash; Crasta, Vincent; Sridhar, M. A.

    2011-11-01

    Organic compound (E)-1-(4-methoxyphenyl)-3-(2,3,5-trichlorophenyl)prop-2-en-1-one [MPTCPP] with molecular formula C 16H 11Cl 3O 2 was synthesized using Claisen-Schmidt condensation reaction method. 1H NMR spectra was recorded to identify the various functional groups present in the compound and confirm the chemical structure. The single crystals were grown using slow evaporation solution growth technique. The UV-Visible spectrum study reveals that the crystal is transparent in the entire visible region and the absorption is observed at 364 nm. The Kurtz powder second harmonic generation (SHG) test shows that the MPTCPP is NLO active and its SHG efficiency is three times that of urea. Single crystal XRD study shows that the compound crystallizes in the monoclinic system with a space group Cc. The corresponding lattice parameters of the crystal are a = 28.215(5) Å, b = 3.9740(4) Å, c = 16.178(3) Å and V = 1503.0(4) Å 3. The micro hardness test was carried out and the work hardening coefficient value ( n) of the crystal was found to be 1.48. This indicates that the crystal is hard and is suitable for device application. The thermal study reveals that the thermal stability of the crystal is good.

  1. Experimentally generated normal faults in single-layer and multilayer limestone specimens at confining pressure

    NASA Astrophysics Data System (ADS)

    Patton, Thomas L.; Logan, John M.; Friedman, Melvin

    1998-09-01

    We examined the deformation of single-layer and multilayer rock veneers at confining pressure due to slip on an underlying, pre-existing, 70°-dipping normal fault. Single-layer specimens consisted of centimeter-thick Indiana Limestone veneers; centimeter-thick multilayer specimens consisted of three layers of Indiana Limestone or two layers of Indiana Limestone separated by a middle layer of weaker, Austin Chalk. The experiments investigated the evolution of induced deformation features — fractures, faults and folds — as functions of; (1) offset on the pre-existing normal fault, (2) confining pressure (100 MPa and 200 MPa), (3) `bedding' (three-layer specimens), and (4) compositional layering (three-layer specimens with a weak middle layer). Single-layer limestone specimens deformed at 200-MPa confining pressure provided the most reproducible results, forming arrays of nested arcuate normal faults; the concave sides of the faults faced in the hanging wall direction. Older faults of the array, propagating from the tip of the pre-existing fault, died out upward into the hanging wall. Younger faults formed towards the footwall side of the array and propagated to the upper surface of the specimen. These latter faults accommodated subsequent slip on the pre-existent fault, and in doing so, fragmented and offset the monoclinally folded upper surface of the specimen. Reducing the confining pressure to 100 MPa produced a more brittle behavior in the specimen, manifested as fewer faults with more irregular profiles and less monoclinal folding at the upper surface of the specimen. Introducing bedding and weak layering in the specimens at 100-MPa confining pressure increased the bulk ductile response of the specimen. Our model-generated deformation features share strong similarities with those documented in other laboratory normal-fault experiments in sand and clay, and with normal-fault features found in outcrop.

  2. Growth of L-Valinium Aluminium Chloride single crystal for OLED and super-capacitor applications

    NASA Astrophysics Data System (ADS)

    Kalaivani, D.; Vijayalakshmi, S.; Theras, J. Elberin Mary; Jayaraman, D.; Joseph, V.

    2015-12-01

    L-Valinium Aluminium Chloride (LVAC), a novel semi-organic material, was grown using slow evaporation under isothermal condition. The single crystal data reveal that the grown crystal belongs to monoclinic system. The SEM micrographs give clear picture about the surface morphology. Further, they confirm the inclusion of aluminium chloride into atomic sites of L-Valine. The compositional elements present in the crystal were identified through EDAX analysis. The mass spectral analysis was carried out to determine the molecular weight of the grown crystal. The optical transparency of the grown crystal was investigated by UV-vis-NIR spectrum. FTIR spectral study was used to identify the functional groups present in the grown material. The luminescence characteristics of grown material were analysed to confirm the effect of metal ion on the ligand. This property makes the material suitable for OLED application. The supercapacitive performance of the grown crystal was finally studied using cyclic voltammetry.

  3. Structure and Raman spectra of single crystal La 2(SO 4) 3 · 8H 2O

    NASA Astrophysics Data System (ADS)

    Vanderpool, Richard A.; Khan, Masood A.; Frech, Roger

    1991-05-01

    The room temperature polarized Raman spectra of single-crystal La 2(SO 4) 3 · 8H 2O have been measured in the range 5-4000 cm -1. The internal and external modes,based on a factor group analysis and comparison with Na 2SO 4 and La 2(SO 4) 3 · 9H 2O, have been assigned. A single-crystal X-ray diffraction study shows that La 2(SO 40 3 · 8H 2O crystallizes in the monoclinic space group Pn ( Z = 2) with cell dimensions a = 6.881(2) Å, b = 17.376(4) Å, c = 6.923(2) Å, and β = 92.34 (2)°. The structure was refined to a final R = 0.033 for 2333 observed reflections.

  4. Structural and vibrational properties of single crystals of Scandia, Sc{sub 2}O{sub 3} under high pressure

    SciTech Connect

    Ovsyannikov, Sergey V. E-mail: sergey2503@gmail.com; Wenz, Michelle D.; Pakhomova, Anna S.; Dubrovinsky, Leonid; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Liermann, Hanns-Peter

    2015-10-28

    We report the results of single-crystal X-ray diffraction and Raman spectroscopy studies of scandium oxide, Sc{sub 2}O{sub 3}, at ambient temperature under high pressure up to 55 and 28 GPa, respectively. Both X-ray diffraction and Raman studies indicated a phase transition from the cubic bixbyite phase (so-called C-Res phase) to a monoclinic C2/m phase (so-called B-Res phase) at pressures around 25–28 GPa. The transition was accompanied by a significant volumetric drop by ∼6.7%. In addition, the Raman spectroscopy detected a minor crossover around 10–12 GPa, which manifested in the appearance of new and disappearance of some Raman modes, as well as in softening of one Raman mode. We found the bulk modulus values of the both C-Res and B-Res phases as B{sub 0} = 198.2(3) and 171.2(1) GPa (for fixed B′ = 4), respectively. Thus, the denser high-pressure lattice of Sc{sub 2}O{sub 3} is much softer than the original lattice. We discuss possible mechanisms that might be responsible for the pronounced elastic softening in the monoclinic high-pressure phase in this “simple” oxide with an ultra-wide band gap.

  5. Growth and Raman spectroscopic characterization of As 4S 4 (II) single crystals

    NASA Astrophysics Data System (ADS)

    Kyono, Atsushi

    2010-11-01

    As described by Kutoglu (1976 [16]), single crystals of As 4S 4 (II) phase have been grown using a new two-step synthesis that drastically increases the reproducibility that is attainable in synthetic experiments. First, through photo-induced phase transformation, pararealgar powder is prepared as a precursor instead of AsS melt. Then it is dissolved and recrystallized from CS 2 solvent. Results show that single crystals of the As 4S 4 (II) phase were obtained reproducibly through the dissolution-recrystallization process. Single crystals of As 4S 4 (II) obtained using this method were translucent and showed a uniform yellow-orange color. The crystal exhibits a platelet-like shape as a thin film with well-developed faces (0 1 0) and (0 1¯ 0). The grown crystals are as large as 0.50×0.50×0.01 mm. They were characterized using powder and single crystal X-ray diffraction techniques to confirm the phase identification and the lattice parameters. The As 4S 4 (II) phase crystallizes in monoclinic system with cell parameters a=11.202(4) Å, b=9.954(4) Å, c=7.142(4) Å, β=92.81(4)°, V=795.4(6) Å 3, which shows good agreement with the former value. Raman spectroscopic studies elucidated the behavior of the substance and the relation among phases of tetra-arsenic tetrasulfide.

  6. Single-Sex Classrooms

    ERIC Educational Resources Information Center

    Protheroe, Nancy

    2009-01-01

    Although single-sex education was once the norm in the U.S., the practice has largely been confined to private schools for more than a century. However, with the introduction of the final version of the U.S. Department of Education's so-called single-sex regulations in 2006, public schools were allowed greater flexibility to offer single-sex…

  7. Single Parent Adoption.

    ERIC Educational Resources Information Center

    Administration for Children, Youth, and Families (DHHS), Washington, DC.

    Presenting two views of the single-parent family, this pamphlet includes an article by two researchers (William Feigelman and Arnold R. Silverman) and a short statement by a single adoptive parent (Amanda Richards). The first paper summarizes earlier research on single-parent adoptions and discusses the results of a nationwide survey of 713…

  8. Phase coexistence and transformations in field-cooled ternary piezoelectric single crystals near the morphotropic phase boundary

    NASA Astrophysics Data System (ADS)

    Luo, Chengtao; Wang, Yaojin; Wang, Zhiguang; Ge, Wenwei; Li, Jiefang; Luo, Haosu; Viehland, D.

    2014-12-01

    Structural phase transformations in (100)-oriented Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals have been investigated by X-ray diffraction. A cubic (C) → tetragonal (T) → monoclinic-C (MC) transformation sequence was observed in the field-cooled condition. Two phase coexistence regions of C + T and T + MC were found. In addition to an increase in the C → T phase transition temperature and a decrease of the T → MC one, a broadening of the coexistence regions was also found with increasing field. This broadening can be explained by the presence of polar nano regions within the C, T, and MC phase regions.

  9. Single-crystal growth of 4-hydroxy-3-methoxy benzaldehyde by the Bridgman technique and its characterization

    NASA Astrophysics Data System (ADS)

    Kannan, V.; Jayaprakasan, M.; Bairava Ganesh, R.; Ramasamy, P.

    2006-08-01

    Single-crystal growth of 4-hydroxy-3-methoxy benzaldehyde (vanillin), an excellent molecular nonlinear optical (NLO) material, from the melt using the Bridgman technique is reported for the first time. Differential thermal analysis experiments indicated that the substance melts congruently at 81 °C. A precise temperature profile plot of the resistive furnace used was measured using a simple PC-based time-temperature data logging system. Powder X-ray diffraction analysis of the grown crystal revealed the crystal belongs to the monoclinic system. Fourier transform infrared spectra were used to assign various modes and identify the functional groups. The crystal exhibited a wide window of transmission unlike other organic NLO crystals. The optical second harmonic generation conversion efficiency of vanillin was determined using the Kurtz powder technique.

  10. Growth and dielectric, mechanical, thermal and etching studies of an organic nonlinear optical L-arginine trifluoroacetate (LATF) single crystal

    SciTech Connect

    Arjunan, S.; Mohan Kumar, R.; Mohan, R.; Jayavel, R.

    2008-08-04

    L-arginine trifluoroacetate, an organic nonlinear optical material, has been synthesized from aqueous solution. Bulk single crystal of dimension 57 mm x 5 mm x 3 mm has been grown by temperature lowering technique. Powder X-ray diffraction studies confirmed the monoclinic structure of the grown L-arginine trifluoroacetate crystal. Linear optical property of the grown crystal has been studied by UV-vis spectrum. Dielectric response of the L-arginine trifluoroacetate crystal was analysed for different frequencies and temperatures in detail. Microhardness study on the sample reveals that the crystal possesses relatively higher hardness compared to many organic crystals. Thermal analyses confirmed that the L-arginine trifluoroacetate material is thermally stable upto 212 deg. C. The etching studies have been performed to assess the perfection of the L-arginine trifluoroacetate crystal. Kurtz powder second harmonic generation test confirms the nonlinear optical properties of the as-grown L-arginine trifluoroacetate crystal.

  11. Single Molecule and Single Cell Epigenomics

    PubMed Central

    Hyun, Byung-Ryool; McElwee, John L.; Soloway, Paul D.

    2014-01-01

    Dynamically regulated changes in chromatin states are vital for normal development and can produce disease when they go awry. Accordingly, much effort has been devoted to characterizing these states under normal and pathological conditions. Chromatin immunoprecipitation followed by sequencing (ChIP-seq) is the most widely used method to characterize where in the genome transcription factors, modified histones, modified nucleotides and chromatin binding proteins are found; bisulfite sequencing (BS-seq) and its variants are commonly used to characterize the locations of DNA modifications. Though very powerful, these methods are not without limitations. Notably, they are best at characterizing one chromatin feature at a time, yet chromatin features arise and function in combination. Investigators commonly superimpose separate ChIP-seq or BS-seq datasets, and then infer where chromatin features are found together. While these inferences might be correct, they can be misleading when the chromatin source has distinct cell types, or when a given cell type exhibits any cell to cell variation in chromatin state. These ambiguities can be eliminated by robust methods that directly characterize the existence and genomic locations of combinations of chromatin features in very small inputs of cells or ideally, single cells. Here we review single molecule epigenomic methods under development to overcome these limitations, the technical challenges associated with single molecule methods and their potential application to single cells. PMID:25204781

  12. Metal-insulator transitions, structural and microstructural evolution of RNiO{sub 3} (R = Sm, Eu, Gd, Dy, Ho, Y) perovskites: Evidence for room-temperature charge disproportionation in monoclinic HoNiO{sub 3} and YNiO{sub 3}

    SciTech Connect

    Alonso, J.A.; Martinez-Lope, M.J.; Casais, M.T.; Arangda, M.A.G.; Fernandez-Diaz, M.T.

    1999-05-26

    RNiO{sub 3} nickelates have been prepared under high oxygen pressure (R = Sm, Eu, Gd) or high hydrostatic pressure (R = Dy, Ho, Y) in the presence of KClO{sub 4}. The samples have been investigated at room temperature (RT) by synchrotron X-ray powder diffraction to follow the evolution of the crystal structures and microstructures along the series. The distortion of the orthorhombic (space group Pbnm) perovskite progressively increases along the series, leading for the smallest Ho{sup 3+} and Y{sup 3+} cations to a subtle monoclinic distortion (space group P2{sub 1}/n) which implies the splitting of the Ni positions in the crystal. This symmetry was confirmed by neutron powder diffraction; the crystal structures for R = Ho and Y were refined simultaneously from RT synchrotron and neutron powder diffraction data. In both perovskites the oxygen octahedra around Ni1 and Ni2 positions are significantly distorted, suggesting the manifestation of Jahn-Teller effect, which is almost absent in the nickelates` of lighter rare earths. The very distinct mean Ni-O bond distances observed for Ni1 and Ni2 atoms at RT, in the insulating regime, suggest the presence of a charge disproportionation effect, considered as driving force for the splitting of the Ni positions. The metal-insulator (MI) transitions for RNiO{sub 3} (R = Gd, Dy, Ho, Y), above room temperature, have been characterized by DSC. The transition temperatures for Gd, Dy, Ho, and Y oxides in the heating runs are 510.7, 563.9, 572.7, and 581.9 K, respectively. The increasing rate of T{sub MI} for Dy, Ho, and Y materials is lower than that expected from the variation of T{sub MI} for the larger rare earth perovskites. This is probably related to the subtle monoclinic distortion found for Ho and Y nickelates. The high-resolution synchrotron X-ray powder patterns have revealed changes in the microstructure along the series. Powder patterns for orthorhombic RNiO{sub 3} (R = Sm, Eu, Gd, Dy) display asymmetric tails for

  13. Growth and characterization of low yttria-doped fully cubic stabilized zirconia-based single crystals

    NASA Astrophysics Data System (ADS)

    Berendts, Stefan; Lerch, Martin

    2013-05-01

    For the first time, fully cubic stabilized zirconia-based single crystals with large nitrogen contents and optimized anion vacancy concentrations, interesting for new electrochemical devices such as nitrogen sensors, were prepared by a two-step approach. This two-step approach combines growth of nitrogen-free zirconia single crystals via the skull melting method and their subsequent direct nitridation to form cubic nitrogen doped zirconia-based single crystals. In the initial step, zirconia crystals with various yttria contents (2, 3, 4 and 6 mol%) were prepared by the skull-melting technique. As determined by X-ray powder diffraction, tetragonal stabilized crystals were obtained, containing monoclinic segregations, when the yttria content of the grinded crystals was below 4 mol%. Subsequently, the crystals were nitrided with nitrogen gas at 1500 °C using different reaction times. Nitrogen content and crystallographic identity of the nitrided samples were investigated, revealing successful nitrogen incorporation and, hence, full cubic stabilization of the initial nitrogen-free samples also for the lowest yttria content. The degree of deviation from the cubic fluorite-type structure is discussed with respect to crystallographic parameters ('pseudo-cubic factor' etc.). The stabilization of cubic or tetragonal phases to ambient temperature is related to the anion vacancy concentration with respect to different impacts of the anion vacancies generated either by yttria or nitrogen incorporation (effective vacancy concentration [Veff]).

  14. Antimony oxofluorides - a synthesis concept that yields phase pure samples and single crystals.

    PubMed

    Ali, Sk Imran; Johnsson, Mats

    2016-07-26

    The single crystals of the new isostructural compounds Sb3O4F and Y0.5Sb2.5O4F and the two previously known compounds M-SbOF and α-Sb3O2F5 were successfully grown by a hydrothermal technique at 230 °C. The new compound Sb3O4F crystallizes in the monoclinic space group P21/c; a = 5.6107(5) Å, b = 4.6847(5) Å, c = 20.2256(18) Å, β = 94.145(8)°, z = 4. The replacing part of Sb with Y means a slight increase in the unit cell dimensions. The compounds M-SbOF and α-Sb3O2F5 have not been grown as single crystals before and it can be concluded that hydrothermal synthesis has proved to be a suitable technique for growing single crystals of antimony oxofluorides because of the relatively low solubility of such compounds compared to other antimony oxohalides that most often have been synthesised at high temperatures by solid state reactions or gas-solid reactions. PMID:27402498

  15. Studies on 2-amino-5-nitropyridinium nitrate (2A5NPN): A semi-organic third order nonlinear optical single crystal

    NASA Astrophysics Data System (ADS)

    Sivasubramani, V.; Pandian, Muthu Senthil; Ramasamy, P.

    2016-05-01

    2-amino-5-nitropyridinium nitrate (2A5NPN) is a semi-organic nonlinear optical crystal and optically good quality 2A5NPN single crystals were successfully grown by slow evaporation solution growth technique (SEST) at ambient temperature. The crystallographic structure of the grown crystal was determined by single crystal X-Ray diffraction analysis and it belongs to Monoclinic crystal system with centro symmetric crystalline nature. The crystallinity of the grown crystal was confirmed by powder X-ray diffraction analysis. The other physical properties of grown crystals are also characterized using TG-DTA, UV-Visible NIR, chemical etching, photoconductivity and Z-scan measurements. The Z-scan method reveals that the 2A5NPN crystal possesses multi photon absorption behaviour and the significantly higher third order susceptibility and it is a promising potential NLO material.

  16. Growth and characterization of 2,6-Di-tert-butyl-4-(dimethylaminomethyl)phenol single crystal by the vertical Bridgman method

    NASA Astrophysics Data System (ADS)

    Siva Bala Solanki, S.; Perumal, Rajesh Narayana; Basheer Ahamed, M.

    2015-02-01

    Single crystal of 2,6-Di-tert-butyl-4-(dimethylaminomethyl)phenol has been grown by the modified vertical Bridgman method. Single crystal X-ray diffraction studies of the crystal confirm that the material belongs to the monoclinic system and space group C2. Fourier Transform Infrared Spectroscopy (FTIR) analysis ascertains the functional group of grown crystal. Thermogravimetric and differential scanning calorimetric analyses are used to assess the thermal characteristics. The surface laser damage value was determined using Q-switched Nd:YAG laser at a wavelength of 1064 nm, which is a positive property for nonlinear optical applications. Vickers's indentation test is performed to analyze the mechanical behavior of the materials. An optical transmission study is used to compute optical band gap and cutoff wavelength. Fluorescence studies were performed to the grown crystal. The Kurtz and Perry powder technique is used to determine the second harmonic conversion efficiency of the sample.

  17. Spectroscopy and kinetics of the population of monoclinic KYb{sub 0.5}Y{sub 0.43}Tm{sub 0.07}(WO{sub 4}){sub 2} crystals pumped by a pulsed Nd:YAG laser

    SciTech Connect

    Vatnik, S M; Maiorov, A P; Plakushchev, D V; Pavlyuk, A A

    2001-01-31

    The kinetics of pump radiation absorption and luminescence of monoclinic crystals of potassium-yttrium-ytterbium tungstate doped with thulium are studied. It is shown theoretically and experimentally that due to the 'excitation multiplication' caused by absorption of pump radiation from metastable states of thulium ions accompanied by cross-relaxation, above 50 % of a total number of thulium ions can occupy the {sup 3}F{sub 4} level. The cross sections of stimulated transitions in the spectral region from 1600 to 2100 nm are calculated from luminescence spectra, and the gain in the crystal is estimated. The prospects of practical applications of the results obtained in the paper are discussed. (active media)

  18. Bulk Crystallization in a SiO2/Al2O3/Y2O3/AlF3/B2O3/Na2O Glass: Fivefold Pseudo Symmetry due to Monoclinic Growth in a Glassy Matrix Containing Growth Barriers

    PubMed Central

    Wisniewski, Wolfgang; Seyring, Martin; Patzig, Christian; Höche, Thomas; Keshavarzi, Ashkan; Rüssel, Christian

    2016-01-01

    A glass with the mol% composition 17 Y2O3·33 Al2O3·40 SiO2·2 AlF3·3 Na2O·2 CeF3·3 B2O3 is heat treated at 1000 °C for 6–24 h. This results in the surface nucleation and growth of YAG. Nucleation and growth of star-shaped alumina and later of monoclinic β-Y2Si2O7 and orthorhombic δ-Y2Si2O7 are additionally observed in the bulk. Phase identification and localization are performed by electron backscatter diffraction (EBSD) as well as TEM analysis. The monoclinic β-Y2Si2O7 observed in the bulk occurs in the form of large, crystal agglomerates which range from 50 to 120 μm in size. The individual crystals are aligned along the c-axis which is the fastest growing axis. Ten probability maxima are observed in the pole-figures illustrating the rotation of orientations around the c-axes indicating a fivefold symmetry. This symmetry is caused by multiple twinning which results in a high probability of specific orientation relationships with rotation angles of ~36°, ~108° (also referred to as the pentagon angle) and ~144° around the c-axis. All these rotation angles are close to the multiples of 36° which are required for an ideal fivefold symmetry. This is the first report of a fivefold symmetry triggered by the presence of barriers hindering crystal growth. PMID:26813152

  19. Bulk Crystallization in a SiO2/Al2O3/Y2O3/AlF3/B2O3/Na2O Glass: Fivefold Pseudo Symmetry due to Monoclinic Growth in a Glassy Matrix Containing Growth Barriers.

    PubMed

    Wisniewski, Wolfgang; Seyring, Martin; Patzig, Christian; Höche, Thomas; Keshavarzi, Ashkan; Rüssel, Christian

    2016-01-01

    A glass with the mol% composition 17 Y2O3·33 Al2O3·40 SiO2·2 AlF3·3 Na2O·2 CeF3·3 B2O3 is heat treated at 1000 °C for 6-24 h. This results in the surface nucleation and growth of YAG. Nucleation and growth of star-shaped alumina and later of monoclinic β-Y2Si2O7 and orthorhombic δ-Y2Si2O7 are additionally observed in the bulk. Phase identification and localization are performed by electron backscatter diffraction (EBSD) as well as TEM analysis. The monoclinic β-Y2Si2O7 observed in the bulk occurs in the form of large, crystal agglomerates which range from 50 to 120 μm in size. The individual crystals are aligned along the c-axis which is the fastest growing axis. Ten probability maxima are observed in the pole-figures illustrating the rotation of orientations around the c-axes indicating a fivefold symmetry. This symmetry is caused by multiple twinning which results in a high probability of specific orientation relationships with rotation angles of ~36°, ~108° (also referred to as the pentagon angle) and ~144° around the c-axis. All these rotation angles are close to the multiples of 36° which are required for an ideal fivefold symmetry. This is the first report of a fivefold symmetry triggered by the presence of barriers hindering crystal growth. PMID:26813152

  20. Bulk Crystallization in a SiO2/Al2O3/Y2O3/AlF3/B2O3/Na2O Glass: Fivefold Pseudo Symmetry due to Monoclinic Growth in a Glassy Matrix Containing Growth Barriers

    NASA Astrophysics Data System (ADS)

    Wisniewski, Wolfgang; Seyring, Martin; Patzig, Christian; Höche, Thomas; Keshavarzi, Ashkan; Rüssel, Christian

    2016-01-01

    A glass with the mol% composition 17 Y2O3·33 Al2O3·40 SiO2·2 AlF3·3 Na2O·2 CeF3·3 B2O3 is heat treated at 1000 °C for 6-24 h. This results in the surface nucleation and growth of YAG. Nucleation and growth of star-shaped alumina and later of monoclinic β-Y2Si2O7 and orthorhombic δ-Y2Si2O7 are additionally observed in the bulk. Phase identification and localization are performed by electron backscatter diffraction (EBSD) as well as TEM analysis. The monoclinic β-Y2Si2O7 observed in the bulk occurs in the form of large, crystal agglomerates which range from 50 to 120 μm in size. The individual crystals are aligned along the c-axis which is the fastest growing axis. Ten probability maxima are observed in the pole-figures illustrating the rotation of orientations around the c-axes indicating a fivefold symmetry. This symmetry is caused by multiple twinning which results in a high probability of specific orientation relationships with rotation angles of ~36°, ~108° (also referred to as the pentagon angle) and ~144° around the c-axis. All these rotation angles are close to the multiples of 36° which are required for an ideal fivefold symmetry. This is the first report of a fivefold symmetry triggered by the presence of barriers hindering crystal growth.

  1. Single Mothers "Do" Family

    ERIC Educational Resources Information Center

    Nelson, Margaret K.

    2006-01-01

    This paper explores how single mothers both incorporate others into family life (e.g., when they ask others to care for their children) and simultaneously "do families" in a manner that holds out a vision of a "traditional" family structure. Drawing on research with White, rural single mothers, the author explores the manner in which these women…

  2. Single Parent Adoptive Homes.

    ERIC Educational Resources Information Center

    Shireman, Joan F.

    1996-01-01

    Reviews research and reports on a longitudinal study of 15 single-parent adoptive homes over a 14-year period that demonstrated that these homes have the capacity to be successful adoptive placements. Identifies unique characteristics of single-parent adoptive homes, and notes the need for additional research to identify children for whom these…

  3. Understanding Single Adulthood.

    ERIC Educational Resources Information Center

    Stein, Peter J.

    The life styles and life chances of the unmarried include elements of choices. Singles may be grouped and characterized according to whether their status may be considered stable or temporary. A life cycle, or continuum model of singlehood is reviewed, including its different factors, or phases. A new model for singles is proposed--a life spiral…

  4. Moving Single Atoms

    NASA Astrophysics Data System (ADS)

    Stuart, Dustin

    2016-05-01

    Single neutral atoms are promising candidates for qubits, the fundamental unit of quantum information. We have built a set of optical tweezers for trapping and moving single Rubidium atoms. The tweezers are based on a far off-resonant dipole trapping laser focussed to a 1 μm spot with a single aspheric lens. We use a digital micromirror device (DMD) to generate dynamic holograms of the desired arrangement of traps. The DMD has a frame rate of 20 kHz which, when combined with fast algorithms, allows for rapid reconfiguration of the traps. We demonstrate trapping of up to 20 atoms in arbitrary arrangements, and the transport of a single-atom over a distance of 14 μm with continuous laser cooling, and 5 μm without. In the meantime, we are developing high-finesse fibre-tip cavities, which we plan to use to couple pairs of single atoms to form a quantum network.

  5. Single nanoparticle plasmonic sensors.

    PubMed

    Sriram, Manish; Zong, Kelly; Vivekchand, S R C; Gooding, J Justin

    2015-01-01

    The adoption of plasmonic nanomaterials in optical sensors, coupled with the advances in detection techniques, has opened the way for biosensing with single plasmonic particles. Single nanoparticle sensors offer the potential to analyse biochemical interactions at a single-molecule level, thereby allowing us to capture even more information than ensemble measurements. We introduce the concepts behind single nanoparticle sensing and how the localised surface plasmon resonances of these nanoparticles are dependent upon their materials, shape and size. Then we outline the different synthetic approaches, like citrate reduction, seed-mediated and seedless growth, that enable the synthesis of gold and silver nanospheres, nanorods, nanostars, nanoprisms and other nanostructures with tunable sizes. Further, we go into the aspects related to purification and functionalisation of nanoparticles, prior to the fabrication of sensing surfaces. Finally, the recent developments in single nanoparticle detection, spectroscopy and sensing applications are discussed. PMID:26473866

  6. Single Nanoparticle Plasmonic Sensors

    PubMed Central

    Sriram, Manish; Zong, Kelly; Vivekchand, S. R. C.; Gooding, J. Justin

    2015-01-01

    The adoption of plasmonic nanomaterials in optical sensors, coupled with the advances in detection techniques, has opened the way for biosensing with single plasmonic particles. Single nanoparticle sensors offer the potential to analyse biochemical interactions at a single-molecule level, thereby allowing us to capture even more information than ensemble measurements. We introduce the concepts behind single nanoparticle sensing and how the localised surface plasmon resonances of these nanoparticles are dependent upon their materials, shape and size. Then we outline the different synthetic approaches, like citrate reduction, seed-mediated and seedless growth, that enable the synthesis of gold and silver nanospheres, nanorods, nanostars, nanoprisms and other nanostructures with tunable sizes. Further, we go into the aspects related to purification and functionalisation of nanoparticles, prior to the fabrication of sensing surfaces. Finally, the recent developments in single nanoparticle detection, spectroscopy and sensing applications are discussed. PMID:26473866

  7. Single-ventricle physiology.

    PubMed

    Schwartz, Steven M; Dent, Catherine L; Musa, Ndidi L; Nelson, David P

    2003-07-01

    The patient with single-ventricle physiology presents a significant challenge to the intensive care team at all stages of management. An integrated approach that applies a working knowledge of cardiac anatomy, cardiopulmonary physiology, and the basic principles of intensive care is essential to guide management for each individual patient. This management requires cooperative and constructive involvement of surgeons, cardiologists, and intensivists, as well as a nursing and respiratory care team experienced in the management of single-ventricle patients. The outcome of each stage of palliation for single-ventricle lesions should continue to improve as new ideas are developed and as older ideas are subjected to rigorous scientific analyses. PMID:12848312

  8. Single Electron Tunneling

    SciTech Connect

    Ruggiero, Steven T.

    2005-07-25

    Financial support for this project has led to advances in the science of single-electron phenomena. Our group reported the first observation of the so-called ''Coulomb Staircase'', which was produced by tunneling into ultra-small metal particles. This work showed well-defined tunneling voltage steps of width e/C and height e/RC, demonstrating tunneling quantized on the single-electron level. This work was published in a now well-cited Physical Review Letter. Single-electron physics is now a major sub-field of condensed-matter physics, and fundamental work in the area continues to be conducted by tunneling in ultra-small metal particles. In addition, there are now single-electron transistors that add a controlling gate to modulate the charge on ultra-small photolithographically defined capacitive elements. Single-electron transistors are now at the heart of at least one experimental quantum-computer element, and single-electron transistor pumps may soon be used to define fundamental quantities such as the farad (capacitance) and the ampere (current). Novel computer technology based on single-electron quantum dots is also being developed. In related work, our group played the leading role in the explanation of experimental results observed during the initial phases of tunneling experiments with the high-temperature superconductors. When so-called ''multiple-gap'' tunneling was reported, the phenomenon was correctly identified by our group as single-electron tunneling in small grains in the material. The main focus throughout this project has been to explore single electron phenomena both in traditional tunneling formats of the type metal/insulator/particles/insulator/metal and using scanning tunneling microscopy to probe few-particle systems. This has been done under varying conditions of temperature, applied magnetic field, and with different materials systems. These have included metals, semi-metals, and superconductors. Amongst a number of results, we have

  9. Single Beam Holography.

    ERIC Educational Resources Information Center

    Chen, Hsuan; Ruterbusch, Paul H.

    1979-01-01

    Discusses how holography can be used as part of undergraduate physics laboratories. The authors propose a single beam technique of holography, which will reduce the recording scheme as well as relax the isolation requirements. (HM)

  10. SINGLE CELL GENOME SEQUENCING

    PubMed Central

    Yilmaz, Suzan; Singh, Anup K.

    2011-01-01

    Whole genome amplification and next-generation sequencing of single cells has become a powerful approach for studying uncultivated microorganisms that represent 90–99 % of all environmental microbes. Single cell sequencing enables not only the identification of microbes but also linking of functions to species, a feat not achievable by metagenomic techniques. Moreover, it allows the analysis of low abundance species that may be missed in community-based analyses. It has also proved very useful in complementing metagenomics in the assembly and binning of single genomes. With the advent of drastically cheaper and higher throughput sequencing technologies, it is expected that single cell sequencing will become a standard tool in studying the genome and transcriptome of microbial communities. PMID:22154471

  11. Crystal growth, structural, thermal and mechanical behavior of L-arginine 4-nitrophenolate 4-nitrophenol dihydrate (LAPP) single crystals

    NASA Astrophysics Data System (ADS)

    Mahadevan, M.; Ramachandran, K.; Anandan, P.; Arivanandhan, M.; Bhagavannarayana, G.; Hayakawa, Y.

    2014-12-01

    Single crystals of L-arginine 4-nitrophenolate 4-nitrophenol dihydrate (LAPP) have been grown successfully from the solution of L-arginine and 4-nitrophenol. Slow evaporation of solvent technique was adopted to grow the bulk single crystals. Single crystal X-ray diffraction analysis confirms the grown crystal has monoclinic crystal system with space group of P21. Powder X-ray diffraction analysis shows the good crystalline nature. The crystalline perfection of the grown single crystals was analyzed by HRXRD by employing a multicrystal X-ray diffractometer. The functional groups were identified from proton NMR spectroscopic analysis. Linear and nonlinear optical properties were determined by UV-Vis spectrophotometer and Kurtz powder technique respectively. It is found that the grown crystal has no absorption in the green wavelength region and the SHG efficiency was found to be 2.66 times that of the standard KDP. The Thermal stability of the crystal was found by obtaining TG/DTA curve. The mechanical behavior of the grown crystal has been studied by Vicker's microhardness method.

  12. A simple method to synthesize single-crystalline lanthanide orthovanadate nanorods

    NASA Astrophysics Data System (ADS)

    Fan, Weiliu; Zhao, Wei; You, Liping; Song, Xinyu; Zhang, Weimin; Yu, Haiyun; Sun, Sixiu

    2004-12-01

    Single-crystalline tetragonal LnVO 4 ( Ln=La, Nd, Sm, Eu, Dy) nanorods were prepared via a simple hydrothermal method, in the absence of any surfactant or template using cheap and simple inorganic salts as raw materials. The products were characterized by XRD, TEM, HRTEM, and PL. It has been shown that after the hydrothermal process, LaVO 4 transformed its crystal structure from monoclinic to tetragonal phase, but LnVO 4 ( Ln=Nd, Sm, Eu, Dy) have not exhibited the structural change. This could be associated with the change of lanthanide ion radius. TEM and HRTEM results show that the nanorods are pure, structurally uniform, single crystalline, and most of them are free from dislocations. Further study reveals the nanorods grow along the [001] direction. A possible growth mechanism of lanthanide orthovanadate nanorods was also proposed. The advantages of our method for the nanorods synthesis lie in the high yield and the low temperature and mild reaction conditions, which permit large scale production at low cost.

  13. Growth, characterization, and crystal structure of a new chalcone derivative single crystal

    NASA Astrophysics Data System (ADS)

    Shettigar, Venkataraya; Dharmaprakash, S. M.

    2006-09-01

    A new organic nonlinear optical (NLO) chalcone derivative viz.1- ( 4- methoxyphenyl )-3- (3,4 - dimethoxy phenyl ) - 2 - propene-1-one, has been synthesized by Claisen-Schmidt condensation method. The synthesized compound was purified by repeated recrystallization process. To confirm the identity of the synthesized compound, FTIR spectra was recorded and various functional groups present were identified. NMR spectra were recorded for structural identity and purity confirmation of the synthesized compound. Good quality single crystals were grown by solvent evaporation and slow cooling technique using acetone as solvent. The grown crystals were characterized by UV-Visible , differential thermal analysis and linear refractive index measurement. The hardness of the crystal was determined using Vicker's indentation method. The single crystal structure analysis of the crystal was performed and it is found that the crystal belongs to monoclinic system with space group P2 I. The powder second harmonic generation(SHG)frequency conversion efficiency of the crystal was determined using Nd: YAG laser(λ = 1064nm)and it is 15 times that of Urea.

  14. Single crystal growth and characterization of lanthanum-neodymium oxalate octahydrate

    NASA Astrophysics Data System (ADS)

    Want, Basharat

    2011-11-01

    Single crystals of mixed lanthanum-neodymium oxalates are grown by gel diffusion method using agar gel as a medium of growth. The crystals grow in the agar gel with hexagonal morphology having (001), (110) and (010) as habit faces. Single crystal X-ray diffraction results show that the crystals belong to monoclinic system with cell parameters; a=10.344(2) Å, b=9.643(6) Å, c=11.721(2) Å, β=118.7 (2)° , bearing the space group P2/c. Fourier transform infrared spectrum of the crystals indicates the presence of water and other functional groups associated with the oxalate ions. Thermogravimetric and differential thermal analysis support the presence of 8H 2O molecules attached to the lanthanum-neodymium crystal lattice. The thermal decomposition in the nitrogen atmosphere leads to the formation of mixed lanthanum-neodymium oxide as the final product. Energy dispersive analysis of X-rays along with elemental analysis suggests the stoichiometry of the gel grown crystals to be La 1.5Nd 0.5(C 2O 4) 3·8H 2O.

  15. Single spin magnetic resonance

    NASA Astrophysics Data System (ADS)

    Wrachtrup, Jörg; Finkler, Amit

    2016-08-01

    Different approaches have improved the sensitivity of either electron or nuclear magnetic resonance to the single spin level. For optical detection it has essentially become routine to observe a single electron spin or nuclear spin. Typically, the systems in use are carefully designed to allow for single spin detection and manipulation, and of those systems, diamond spin defects rank very high, being so robust that they can be addressed, read out and coherently controlled even under ambient conditions and in a versatile set of nanostructures. This renders them as a new type of sensor, which has been shown to detect single electron and nuclear spins among other quantities like force, pressure and temperature. Adapting pulse sequences from classic NMR and EPR, and combined with high resolution optical microscopy, proximity to the target sample and nanoscale size, the diamond sensors have the potential to constitute a new class of magnetic resonance detectors with single spin sensitivity. As diamond sensors can be operated under ambient conditions, they offer potential application across a multitude of disciplines. Here we review the different existing techniques for magnetic resonance, with a focus on diamond defect spin sensors, showing their potential as versatile sensors for ultra-sensitive magnetic resonance with nanoscale spatial resolution.

  16. Single spin magnetic resonance.

    PubMed

    Wrachtrup, Jörg; Finkler, Amit

    2016-08-01

    Different approaches have improved the sensitivity of either electron or nuclear magnetic resonance to the single spin level. For optical detection it has essentially become routine to observe a single electron spin or nuclear spin. Typically, the systems in use are carefully designed to allow for single spin detection and manipulation, and of those systems, diamond spin defects rank very high, being so robust that they can be addressed, read out and coherently controlled even under ambient conditions and in a versatile set of nanostructures. This renders them as a new type of sensor, which has been shown to detect single electron and nuclear spins among other quantities like force, pressure and temperature. Adapting pulse sequences from classic NMR and EPR, and combined with high resolution optical microscopy, proximity to the target sample and nanoscale size, the diamond sensors have the potential to constitute a new class of magnetic resonance detectors with single spin sensitivity. As diamond sensors can be operated under ambient conditions, they offer potential application across a multitude of disciplines. Here we review the different existing techniques for magnetic resonance, with a focus on diamond defect spin sensors, showing their potential as versatile sensors for ultra-sensitive magnetic resonance with nanoscale spatial resolution. PMID:27378060

  17. Single-plasmon interferences.

    PubMed

    Dheur, Marie-Christine; Devaux, Eloïse; Ebbesen, Thomas W; Baron, Alexandre; Rodier, Jean-Claude; Hugonin, Jean-Paul; Lalanne, Philippe; Greffet, Jean-Jacques; Messin, Gaétan; Marquier, François

    2016-03-01

    Surface plasmon polaritons are electromagnetic waves coupled to collective electron oscillations propagating along metal-dielectric interfaces, exhibiting a bosonic character. Recent experiments involving surface plasmons guided by wires or stripes allowed the reproduction of quantum optics effects, such as antibunching with a single surface plasmon state, coalescence with a two-plasmon state, conservation of squeezing, or entanglement through plasmonic channels. We report the first direct demonstration of the wave-particle duality for a single surface plasmon freely propagating along a planar metal-air interface. We develop a platform that enables two complementary experiments, one revealing the particle behavior of the single-plasmon state through antibunching, and the other one where the interferences prove its wave nature. This result opens up new ways to exploit quantum conversion effects between different bosonic species as shown here with photons and polaritons. PMID:26998521

  18. Single event mass spectrometry

    DOEpatents

    Conzemius, Robert J.

    1990-01-16

    A means and method for single event time of flight mass spectrometry for analysis of specimen materials. The method of the invention includes pulsing an ion source imposing at least one pulsed ion onto the specimen to produce a corresponding emission of at least one electrically charged particle. The emitted particle is then dissociated into a charged ion component and an uncharged neutral component. The ion and neutral components are then detected. The time of flight of the components are recorded and can be used to analyze the predecessor of the components, and therefore the specimen material. When more than one ion particle is emitted from the specimen per single ion impact, the single event time of flight mass spectrometer described here furnis This invention was made with Government support under Contract No. W-7405-ENG82 awarded by the Department of Energy. The Government has certain rights in the invention.

  19. Single-Molecule Bioelectronics

    PubMed Central

    Rosenstein, Jacob K.; Lemay, Serge G.; Shepard, Kenneth L.

    2014-01-01

    Experimental techniques which interface single biomolecules directly with microelectronic systems are increasingly being used in a wide range of powerful applications, from fundamental studies of biomolecules to ultra-sensitive assays. Here we review several technologies which can perform electronic measurements of single molecules in solution: ion channels, nanopore sensors, carbon nanotube field-effect transistors, electron tunneling gaps, and redox cycling. We discuss the shared features among these techniques that enable them to resolve individual molecules, and discuss their limitations. Recordings from each of these methods all rely on similar electronic instrumentation, and we discuss the relevant circuit implementations and potential for scaling these single-molecule bioelectronic interfaces to high-throughput arrayed sensing platforms. PMID:25529538

  20. Single-plasmon interferences

    PubMed Central

    Dheur, Marie-Christine; Devaux, Eloïse; Ebbesen, Thomas W.; Baron, Alexandre; Rodier, Jean-Claude; Hugonin, Jean-Paul; Lalanne, Philippe; Greffet, Jean-Jacques; Messin, Gaétan; Marquier, François

    2016-01-01

    Surface plasmon polaritons are electromagnetic waves coupled to collective electron oscillations propagating along metal-dielectric interfaces, exhibiting a bosonic character. Recent experiments involving surface plasmons guided by wires or stripes allowed the reproduction of quantum optics effects, such as antibunching with a single surface plasmon state, coalescence with a two-plasmon state, conservation of squeezing, or entanglement through plasmonic channels. We report the first direct demonstration of the wave-particle duality for a single surface plasmon freely propagating along a planar metal-air interface. We develop a platform that enables two complementary experiments, one revealing the particle behavior of the single-plasmon state through antibunching, and the other one where the interferences prove its wave nature. This result opens up new ways to exploit quantum conversion effects between different bosonic species as shown here with photons and polaritons. PMID:26998521

  1. Single-molecule bioelectronics.

    PubMed

    Rosenstein, Jacob K; Lemay, Serge G; Shepard, Kenneth L

    2015-01-01

    Experimental techniques that interface single biomolecules directly with microelectronic systems are increasingly being used in a wide range of powerful applications, from fundamental studies of biomolecules to ultra-sensitive assays. In this study, we review several technologies that can perform electronic measurements of single molecules in solution: ion channels, nanopore sensors, carbon nanotube field-effect transistors, electron tunneling gaps, and redox cycling. We discuss the shared features among these techniques that enable them to resolve individual molecules, and discuss their limitations. Recordings from each of these methods all rely on similar electronic instrumentation, and we discuss the relevant circuit implementations and potential for scaling these single-molecule bioelectronic interfaces to high-throughput arrayed sensing platforms. PMID:25529538

  2. Single Cell Oncogenesis

    NASA Astrophysics Data System (ADS)

    Lu, Xin

    It is believed that cancer originates from a single cell that has gone through generations of evolution of genetic and epigenetic changes that associate with the hallmarks of cancer. In some cancers such as various types of leukemia, cancer is clonal. Yet in other cancers like glioblastoma (GBM), there is tremendous tumor heterogeneity that is likely to be caused by simultaneous evolution of multiple subclones within the same tissue. It is obvious that understanding how a single cell develops into a clonal tumor upon genetic alterations, at molecular and cellular levels, holds the key to the real appreciation of tumor etiology and ultimate solution for therapeutics. Surprisingly very little is known about the process of spontaneous tumorigenesis from single cells in human or vertebrate animal models. The main reason is the lack of technology to track the natural process of single cell changes from a homeostatic state to a progressively cancerous state. Recently, we developed a patented compound, photoactivatable (''caged'') tamoxifen analogue 4-OHC and associated technique called optochemogenetic switch (OCG switch), which we believe opens the opportunity to address this urgent biological as well as clinical question about cancer. We propose to combine OCG switch with genetically engineered mouse models of head and neck squamous cell carcinoma and high grade astrocytoma (including GBM) to study how single cells, when transformed through acute loss of tumor suppressor genes PTEN and TP53 and gain of oncogenic KRAS, can develop into tumor colonies with cellular and molecular heterogeneity in these tissues. The abstract is for my invited talk in session ``Beyond Darwin: Evolution in Single Cells'' 3/18/2016 11:15 AM.

  3. Hysteretic phase transition sequence in 0.67 Pb (M g1 /3N b2 /3)O3-0.33 PbTi O3 single crystal driven by electric field and temperature

    NASA Astrophysics Data System (ADS)

    Zheng, Limei; Lu, Xiaoyan; Shang, Hengshan; Xi, Zengzhe; Wang, Ruixue; Wang, Junjun; Zheng, Peng; Cao, Wenwu

    2015-05-01

    Domain pattern variations with temperature were studied by polarizing light microscopy for the morphotropic phase boundary composition 0.67 Pb (M g1 /3N b2 /3)O3-0.33 PbTi O3 (PMN-0.33PT) single crystal. At room temperature, the monoclinic MA phase is the dominant phase in the unpoled crystal, which coexists with a small fraction of the tetragonal (T) phase. The orientation of spontaneous polarization was calculated to be ˜4 .8° away from the pseudocubic <111> C in the {001} C plane family. Under an electric field of 6 kV/cm along [011] C, a single domain orthorhombic (O) phase was induced but partially switched back to MA a few hours after the removal of the E field. It was found that the temperature induced phase transition sequence of the [011] C poled PMN-0.33PT single crystal is strongly hysteretic. On heating, the phase transition sequence is as follows: coexistence of O phase and MA→rhombohedral →monoclinic MC→cubic (C ) . On cooling, the phase transition sequence is given by C →T →MA . The complete set of dielectric, piezoelectric, and elastic constants for the [011] C poled PMN-0.33PT single crystal was measured, which showed the strong feature of the single domain O phase with high shear (d15=2321 pC /N ,d24=1941 pC /N ) and low longitudinal piezoelectric coefficients (d33=165 pC /N ) .

  4. TRANSVERSITY SINGLE SPIN ASYMMETRIES.

    SciTech Connect

    BOER,D.

    2001-04-27

    The theoretical aspects of two leading twist transversity single spin asymmetries, one arising from the Collins effect and one from the interference fragmentation functions, are reviewed. Issues of factorization, evolution and Sudakov factors for the relevant observables are discussed. These theoretical considerations pinpoint the most realistic scenarios towards measurements of transversity.

  5. Contemporary Single Mothers.

    ERIC Educational Resources Information Center

    Eiduson, Bernice T.

    Fifty Caucasian, never-married single mothers aged 18-30, who had opted to keep their babies, were studied longitudinally from the last trimester of pregnancy through the first three years of their children's lives in order to learn the extent to which they had reinterpreted traditional roles and responsibilities and had restructured their lives.…

  6. Single Mother's Resource Handbook.

    ERIC Educational Resources Information Center

    Ferando, Annette; Newbert, David

    Funded under the Women's Educational Equity Act, the Assertiveness Training Program for Single Mothers was offered to mothers with children enrolled in the Omaha Head Start and Parent-Child Center Programs. The 16-week long program, providing a total of 40 hours of training, covered a wide range of topics in addition to the initial workshops on…

  7. Single Fathers Rearing Children.

    ERIC Educational Resources Information Center

    Greif, Geoffrey L.

    1985-01-01

    Describes single fathers rearing children alone following divorce (N=1,136). Findings revealed four primary reasons for the divorce and four broad situations in which the fathers obtained custody. These latter situations often are affected by the mother's desire to relinquish custody. (NRB)

  8. From single molecule to single tubules

    NASA Astrophysics Data System (ADS)

    Guo, Chin-Lin

    2012-02-01

    Biological systems often make decisions upon conformational changes and assembly of single molecules. In vivo, epithelial cells (such as the mammary gland cells) can respond to extracellular matrix (ECM) molecules, type I collagen (COL), and switch their morphology from a lobular lumen (100-200 micron) to a tubular lumen (1mm-1cm). However, how cells make such a morphogenetic decision through interactions with each other and with COL is unclear. Using a temporal control of cell-ECM interaction, we find that epithelial cells, in response to a fine-tuned percentage of type I collagen (COL) in ECM, develop various linear patterns. Remarkably, these patterns allow cells to self-assemble into a tubule of length ˜ 1cm and diameter ˜ 400 micron in the liquid phase (i.e., scaffold-free conditions). In contrast with conventional thought, the linear patterns arise through bi-directional transmission of traction force, but not through diffusible biochemical factors secreted by cells. In turn, the transmission of force evokes a long-range (˜ 600 micron) intercellular mechanical interaction. A feedback effect is encountered when the mechanical interaction modifies cell positioning and COL alignment. Micro-patterning experiments further reveal that such a feedback is a novel cell-number-dependent, rich-get-richer process, which allows cells to integrate mechanical interactions into long-range (> 1mm) linear coordination. Our results suggest a mechanism cells can use to form and coordinate long-range tubular patterns, independent of those controlled by diffusible biochemical factors, and provide a new strategy to engineer/regenerate epithelial organs using scaffold-free self-assembly methods.

  9. Bismuth(III) dialkyldithiophosphates: Facile single source precursors for the preparation of bismuth sulfide nanorods and bismuth phosphate thin films

    SciTech Connect

    Biswal, Jasmine B.; Garje, Shivram S.; Nuwad, Jitendra; Pillai, C.G.S.

    2013-08-15

    Two different phase pure materials (Bi{sub 2}S{sub 3} and Bi{sub 2}P{sub 4}O{sub 13}) have been prepared under different conditions using the same single source precursors. Solvothermal decomposition of the complexes, Bi(S{sub 2}P(OR){sub 2}){sub 3} [where, R=Methyl (Me) (1), Ethyl (Et) (2), n-Propyl (Pr{sup n}) (3) and iso-Propyl (Pr{sup i}) (4)] in ethylene glycol gave orthorhombic bismuth sulfide nanorods, whereas aerosol assisted chemical vapor deposition (AACVD) of the same precursors deposited monoclinic bismuth tetraphosphate (Bi{sub 2}P{sub 4}O{sub 13}) thin films on glass substrates. Surface study of the thin films using SEM illustrated the formation of variety of nanoscale morphologies (spherical-, wire-, pendent-, doughnut- and flower-like) at different temperatures. AFM studies were carried out to evaluate quality of the films in terms of uniformity and roughness. Thin films of average roughness as low as 1.4 nm were deposited using these precursors. Photoluminescence studies of Bi{sub 2}P{sub 4}O{sub 13} thin films were also carried out. - Graphical abstract: Solvothermal decomposition of bismuth(III) dialkyldithiophosphates in ethylene glycol gave Bi{sub 2}S{sub 3} nanoparticles, whereas aerosol assisted chemical vapor deposition of these single source precursors deposited Bi{sub 2}P{sub 4}O{sub 13} thin films. Display Omitted - Highlights: • Preparation of phase pure orthorhombic Bi{sub 2}S{sub 3} nanorods and monoclinic Bi{sub 2}P{sub 4}O{sub 13} thin films. • Use of single source precursors for deposition of bismuth phosphate thin films. • Use of solvothermal decomposition and AACVD methods. • Morphology controlled synthesis of Bi{sub 2}P{sub 4}O{sub 13} thin films. • Bi{sub 2}S{sub 3} nanorods and Bi{sub 2}P{sub 4}O{sub 13} thin films using same single source precursors.

  10. Towards single molecule switches.

    PubMed

    Zhang, Jia Lin; Zhong, Jian Qiang; Lin, Jia Dan; Hu, Wen Ping; Wu, Kai; Xu, Guo Qin; Wee, Andrew T S; Chen, Wei

    2015-05-21

    The concept of using single molecules as key building blocks for logic gates, diodes and transistors to perform basic functions of digital electronic devices at the molecular scale has been explored over the past decades. However, in addition to mimicking the basic functions of current silicon devices, molecules often possess unique properties that have no parallel in conventional materials and promise new hybrid devices with novel functions that cannot be achieved with equivalent solid-state devices. The most appealing example is the molecular switch. Over the past decade, molecular switches on surfaces have been intensely investigated. A variety of external stimuli such as light, electric field, temperature, tunneling electrons and even chemical stimulus have been used to activate these molecular switches between bistable or even multiple states by manipulating molecular conformations, dipole orientations, spin states, charge states and even chemical bond formation. The switching event can occur either on surfaces or in break junctions. The aim of this review is to highlight recent advances in molecular switches triggered by various external stimuli, as investigated by low-temperature scanning tunneling microscopy (LT-STM) and the break junction technique. We begin by presenting the molecular switches triggered by various external stimuli that do not provide single molecule selectivity, referred to as non-selective switching. Special focus is then given to selective single molecule switching realized using the LT-STM tip on surfaces. Single molecule switches operated by different mechanisms are reviewed and discussed. Finally, molecular switches embedded in self-assembled monolayers (SAMs) and single molecule junctions are addressed. PMID:25757483

  11. Growth of NBT-BT single crystals by flux method and their structural, morphological and electrical characterizations

    NASA Astrophysics Data System (ADS)

    Kanuru, Sreenadha Rao; Baskar, K.; Dhanasekaran, R.; Kumar, Binay

    2016-05-01

    In this paper, one of the important, eco-friendly polycrystalline material, (1-x)(Na0.5Bi0.5)TiO3 (NBT) - xBaTiO3 (BT) of different compositions (x=0.07, 0.06 and 0.05 wt%) around the morphotropic phase boundary (MPB) were synthesized by solid state reaction technique. And the single crystals with 13×7×7 mm3, 12×12×7 mm3 and 10×7×4 mm3 dimensions were grown by self flux method. The morphology, crystal structure and unit-cell parameters have been studied and the monoclinic phase has been identified for 0.07 wt% of BT. Higher BT concentration changes the crystal habit and the mechanism has been studied clearly. Raman spectroscopy at room-temperature confirms the presence of functional groups. The quality of the as grown single crystals was examined by high resolution x-ray diffraction analysis. The dielectric properties of the as grown crystals were investigated in the frequency range of 20 Hz-2 MHz from room temperature to 450 °C. The broad dielectric peak and frequency dispersion demonstrates the relaxor behavior of grown crystals. The dielectric constant (εr), transition temperature (Tm), and depolarization temperature (Td) of the grown crystals are found to be comparatively good. The diffusive factor (γ) from Curie-Weiss law confirms the as grown NBT-BT single crystals are relaxor in nature.

  12. Growth and characterization studies of sodium Di(L-Malato) borate bulk single crystal: A promising nonlinear optical material

    NASA Astrophysics Data System (ADS)

    Senthil, A.; Loganayaki, M.; Lenin, M.; Ramasamy, P.

    2012-06-01

    A semi-organic nonlinear optical material, sodium di(L-malato) borate (NaDMB) has been synthesized. Optically good quality bulk single crystal of NaDMB was successfully grown by slow evaporation solution technique (SEST) and Sankaranarayanan-Ramasamy (SR) method at 36 °C. Transparent, colourless crystal of size 22 mm X 8 mm X 6 mm with well defined morphology was grown by SEST and <100> oriented unidirectional bulk single crystal of size 48 mm length and 16 mm diameter was grown by SR method. The grown crystals were subjected to single crystal X-ray diffraction studies. The crystal belongs to monoclinic structure with space group P21. The grown crystals were characterized by UV-vis studies. The structural perfection of the grown crystal has been analyzed by high-resolution X-ray diffraction (HRXRD) rocking curve measurements. The differential thermal (DTA) and thermogravimetric (TG) analysis traces reveal the thermal stability of the sample. The second-harmonic generation efficiency was estimated by Kurtz and Perry powder technique.

  13. Crucial role of molecular planarity on the second order nonlinear optical property of pyridine based chalcone single crystals

    NASA Astrophysics Data System (ADS)

    Menezes, Anthoni Praveen; Jayarama, A.; Ng, Seik Weng

    2015-05-01

    An efficient nonlinear optical material 2E-3-(4-bromophenyl)-1-(pyridin-3-yl) prop-2-en-1-one (BPP) was synthesized and single crystals were grown using slow evaporation solution growth technique at room temperature. Grown crystal had prismatic morphology and its structure was confirmed by various spectroscopic studies, elemental analysis, and single crystal X-ray diffraction (XRD) technique. The single crystal XRD of the crystal showed that BPP crystallizes in monoclinic system with noncentrosymmetric space group P21 and the cell parameters are a = 5.6428(7) Å, b = 3.8637(6) Å, c = 26.411(2) Å, β = 97.568(11) deg and v = 575.82(12) Å3. The UV-Visible spectrum reveals that the crystal is optically transparent and has high optical energy band gap of 3.1 eV. The powder second harmonic generation efficiency (SHG) of BPP is 6.8 times that of KDP. From thermal analysis it is found that the crystal melts at 139 °C and decomposes at 264 °C. High optical transparency down to blue region, higher powder SHG efficiency and better thermal stability than that of urea makes this chalcone derivative a promising candidate for SHG applications. Furthermore, effect of molecular planarity on SHG efficiency and role of pyridine ring adjacent to carbonyl group in forming noncentrosymmetric crystal systems of chalcone family is also discussed.

  14. 75 FR 9247 - Single Family Mortgage Insurance Premium, Single Family

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-01

    ... URBAN DEVELOPMENT Single Family Mortgage Insurance Premium, Single Family AGENCY: Office of the Chief... the Single Family Premium Collection Subsystem-Upfront (SFPCS-U) to remit the upfront premium to... manage and process upfront single family mortgage insurance premium collections and corrections to...

  15. Single nanowire photovoltaics.

    PubMed

    Tian, Bozhi; Kempa, Thomas J; Lieber, Charles M

    2009-01-01

    This tutorial review focuses on recent work addressing the properties and potential of semiconductor nanowires as building blocks for photovoltaic devices based on investigations at the single nanowire level. Two central nanowire motifs involving p-i-n dopant modulation in axial and coaxial geometries serve as platforms for fundamental studies. Research illustrating the synthesis of these structural motifs will be reviewed first, followed by an examination of recent studies of single axial and coaxial p-i-n silicon nanowire solar cells. Finally, challenges and opportunities for improving efficiency enabled by controlled synthesis of more complex nanowire structures will be discussed, as will their potential applications as power sources for emerging nanoelectronic devices. PMID:19088961

  16. 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.

  17. Single frequency multitransmitter telemetry

    NASA Technical Reports Server (NTRS)

    Carreno, Victor A. (Inventor)

    1986-01-01

    The invention relates to a single frequency multitransmitter telemetry system that will deliver a substantial amount of data at low cost. The invention consists essentially of a plurality of sensor transmitter units at different locations, with individual signal conditioning and logic, which send sampled data signals to a single receiver. The transmitters operate independently on the same frequency in a frequency shift keying modulation system and are not synchronized to the receiver. The problem of reception of data from more than one transmitter simultaneously is solved by discarding the data - when there is overlap of data from two or more transmitters, the data is discarded and when there is no overlap the data is retained. The invention utilizes a unique overlap detection technique to determine if data should be retained or discarded. When data is received from a transmitter, it goes into a shift register.

  18. Single cell optical transfection.

    PubMed

    Stevenson, David J; Gunn-Moore, Frank J; Campbell, Paul; Dholakia, Kishan

    2010-06-01

    The plasma membrane of a eukaryotic cell is impermeable to most hydrophilic substances, yet the insertion of these materials into cells is an extremely important and universal requirement for the cell biologist. To address this need, many transfection techniques have been developed including viral, lipoplex, polyplex, capillary microinjection, gene gun and electroporation. The current discussion explores a procedure called optical injection, where a laser field transiently increases the membrane permeability to allow species to be internalized. If the internalized substance is a nucleic acid, such as DNA, RNA or small interfering RNA (siRNA), then the process is called optical transfection. This contactless, aseptic, single cell transfection method provides a key nanosurgical tool to the microscopist-the intracellular delivery of reagents and single nanoscopic objects. The experimental possibilities enabled by this technology are only beginning to be realized. A review of optical transfection is presented, along with a forecast of future applications of this rapidly developing and exciting technology. PMID:20064901

  19. Single mode thermal emission.

    PubMed

    Fohrmann, Lena Simone; Petrov, Alexander Yu; Lang, Slawa; Jalas, Dirk; Krauss, Thomas F; Eich, Manfred

    2015-10-19

    We report on the properties of a thermal emitter which radiates into a single mode waveguide. We show that the maximal power of thermal radiation into a propagating single mode is limited only by the temperature of the thermal emitter and does not depend on other parameters of the waveguide. Furthermore, we show that the power of the thermal emitter cannot be increased by resonant coupling. For a given temperature, the enhancement of the total emitted power is only possible if the number of excited modes is increased. Either a narrowband or a broadband thermal excitation of the mode is possible, depending on the properties of the emitter. We finally discuss an example system, namely a thermal source for silicon photonics. PMID:26480429

  20. Watching single molecules dance

    NASA Astrophysics Data System (ADS)

    Mehta, Amit Dinesh

    Molecular motors convert chemical energy, from ATP hydrolysis or ion flow, into mechanical motion. A variety of increasingly precise mechanical probes have been developed to monitor and perturb these motors at the single molecule level. Several outstanding questions can be best approached at the single molecule level. These include: how far does a motor progress per energy quanta consumed? how does its reaction cycle respond to load? how many productive catalytic cycles can it undergo per diffusional encounter with its track? and what is the mechanical stiffness of a single molecule connection? A dual beam optical trap, in conjunction with in vitro ensemble motility assays, has been used to characterize two members of the myosin superfamily: muscle myosin II and chick brain myosin V. Both move the helical polymer actin, but myosin II acts in large ensembles to drive muscle contraction or cytokinesis, while myosin V acts in small numbers to transport vesicles. An optical trapping apparatus was rendered sufficiently precise to identify a myosin working stroke with 1nm or so, barring systematic errors such as those perhaps due to random protein orientations. This and other light microscopic motility assays were used to characterize myosin V: unlike myosin II this vesicle transport protein moves through many increments of travel while remaining strongly bound to a single actin filament. The step size, stall force, and travel distance of myosin V reveal a remarkably efficient motor capable of moving along a helical track for over a micrometer without significantly spiraling around it. Such properties are fully consistent with the putative role of an organelle transport motor, present in small numbers to maintain movement over long ranges relative to cellular size scales. The contrast between myosin II and myosin V resembles that between a human running on the moon and one walking on earth, where the former allows for faster motion when in larger ensembles but for less

  1. Single-spin CCD.

    PubMed

    Baart, T A; Shafiei, M; Fujita, T; Reichl, C; Wegscheider, W; Vandersypen, L M K

    2016-04-01

    Spin-based electronics or spintronics relies on the ability to store, transport and manipulate electron spin polarization with great precision. In its ultimate limit, information is stored in the spin state of a single electron, at which point quantum information processing also becomes a possibility. Here, we demonstrate the manipulation, transport and readout of individual electron spins in a linear array of three semiconductor quantum dots. First, we demonstrate single-shot readout of three spins with fidelities of 97% on average, using an approach analogous to the operation of a charge-coupled device (CCD). Next, we perform site-selective control of the three spins, thereby writing the content of each pixel of this 'single-spin charge-coupled device'. Finally, we show that shuttling an electron back and forth in the array hundreds of times, covering a cumulative distance of 80 μm, has negligible influence on its spin projection. Extrapolating these results to the case of much larger arrays points at a diverse range of potential applications, from quantum information to imaging and sensing. PMID:26727201

  2. Ageing single file motion

    NASA Astrophysics Data System (ADS)

    Metzler, R.; Sanders, L.; Lomholt, M. A.; Lizana, L.; Fogelmark, K.; Ambjörnsson, Tobias

    2014-12-01

    The mean squared displacement of a tracer particle in a single file of identical particles with excluded volume interactions shows the famed Harris scaling ≃ K1/2t1/2 as function of time. Here we study what happens to this law when each particle of the single file interacts with the environment such that it is transiently immobilised for times τ with a power-law distribution ψ(τ) ≃ (τ★)α, and different ranges of the exponent α are considered. We find a dramatic slow-down of the motion of a tracer particle from Harris' law to an ultraslow, logarithmic time evolution ≃ K0 log 1/2(t) when 0 < α < 1. In the intermediate case 1 < α < 2, we observe a power-law form for the mean squared displacement, with a modified scaling exponent as compared to Harris' law. Once α is larger than two, the Brownian single file behaviour and thus Harris' law are restored. We also point out that this process is weakly non-ergodic in the sense that the time and ensemble averaged mean squared displacements are disparate.

  3. Single rotor turbine engine

    DOEpatents

    Platts, David A.

    2002-01-01

    There has been invented a turbine engine with a single rotor which cools the engine, functions as a radial compressor, pushes air through the engine to the ignition point, and acts as an axial turbine for powering the compressor. The invention engine is designed to use a simple scheme of conventional passage shapes to provide both a radial and axial flow pattern through the single rotor, thereby allowing the radial intake air flow to cool the turbine blades and turbine exhaust gases in an axial flow to be used for energy transfer. In an alternative embodiment, an electric generator is incorporated in the engine to specifically adapt the invention for power generation. Magnets are embedded in the exhaust face of the single rotor proximate to a ring of stationary magnetic cores with windings to provide for the generation of electricity. In this alternative embodiment, the turbine is a radial inflow turbine rather than an axial turbine as used in the first embodiment. Radial inflow passages of conventional design are interleaved with radial compressor passages to allow the intake air to cool the turbine blades.

  4. Single-spin CCD

    NASA Astrophysics Data System (ADS)

    Baart, T. A.; Shafiei, M.; Fujita, T.; Reichl, C.; Wegscheider, W.; Vandersypen, L. M. K.

    2016-04-01

    Spin-based electronics or spintronics relies on the ability to store, transport and manipulate electron spin polarization with great precision. In its ultimate limit, information is stored in the spin state of a single electron, at which point quantum information processing also becomes a possibility. Here, we demonstrate the manipulation, transport and readout of individual electron spins in a linear array of three semiconductor quantum dots. First, we demonstrate single-shot readout of three spins with fidelities of 97% on average, using an approach analogous to the operation of a charge-coupled device (CCD). Next, we perform site-selective control of the three spins, thereby writing the content of each pixel of this ‘single-spin charge-coupled device’. Finally, we show that shuttling an electron back and forth in the array hundreds of times, covering a cumulative distance of 80 μm, has negligible influence on its spin projection. Extrapolating these results to the case of much larger arrays points at a diverse range of potential applications, from quantum information to imaging and sensing.

  5. Single wall penetration equations

    NASA Technical Reports Server (NTRS)

    Hayashida, K. B.; Robinson, J. H.

    1991-01-01

    Five single plate penetration equations are compared for accuracy and effectiveness. These five equations are two well-known equations (Fish-Summers and Schmidt-Holsapple), two equations developed by the Apollo project (Rockwell and Johnson Space Center (JSC), and one recently revised from JSC (Cour-Palais). They were derived from test results, with velocities ranging up to 8 km/s. Microsoft Excel software was used to construct a spreadsheet to calculate the diameters and masses of projectiles for various velocities, varying the material properties of both projectile and target for the five single plate penetration equations. The results were plotted on diameter versus velocity graphs for ballistic and spallation limits using Cricket Graph software, for velocities ranging from 2 to 15 km/s defined for the orbital debris. First, these equations were compared to each other, then each equation was compared with various aluminum projectile densities. Finally, these equations were compared with test results performed at JSC for the Marshall Space Flight Center. These equations predict a wide variety of projectile diameters at a given velocity. Thus, it is very difficult to choose the 'right' prediction equation. The thickness of a single plate could have a large variation by choosing a different penetration equation. Even though all five equations are empirically developed with various materials, especially for aluminum alloys, one cannot be confident in the shield design with the predictions obtained by the penetration equations without verifying by tests.

  6. Single Echo MRI

    PubMed Central

    Galiana, Gigi; Constable, R. Todd

    2014-01-01

    Purpose Previous nonlinear gradient research has focused on trajectories that reconstruct images with a minimum number of echoes. Here we describe sequences where the nonlinear gradients vary in time to acquire the image in a single readout. The readout is designed to be very smooth so that it can be compressed to minimal time without violating peripheral nerve stimulation limits, yielding an image from a single 4 ms echo. Theory and Methods This sequence was inspired by considering the code of each voxel, i.e. the phase accumulation that a voxel follows through the readout, an approach connected to traditional encoding theory. We present simulations for the initial sequence, a low slew rate analog, and higher resolution reconstructions. Results Extremely fast acquisitions are achievable, though as one would expect, SNR is reduced relative to the slower Cartesian sampling schemes because of the high gradient strengths. Conclusions The prospect that nonlinear gradients can acquire images in a single <10 ms echo makes this a novel and interesting approach to image encoding. PMID:24465837

  7. Flame Synthesized Single Crystal Nanocolumn-Structured WO3 Thin Films for Photoelectrochemical Water Splitting.

    PubMed

    Ding, Jin-Rui; Kim, Kyo-Seon

    2016-02-01

    Tungsten oxide thin films have been found as an active visible light driven photoanode material for photoelectrochemical water splitting due to its good stability in aqueous solution and energetically favorable valence band position for water oxidation. Morphology control, which determines the performance of WO3 photoanode, is one of most focuses of recent research interests. In this work, we successfully prepared monoclinic WO3 thin films on ITO glass at low range of substrate temperature with a fabrication rate around 100 nm per minute by using aerosol flame deposition process. Single crystal nanocolumns with both triangular pyramid-like and triangular prism-like structure were obtained at certain process conditions. Photoelectrochemical properties of photoelectrodes assembled with both structured WO3 thin films were investigated. The prism-like nanocolumn-structured thin film generated the current density of 1.58 mAcm(-2) at potential of 1.0 V versus Ag/AgCl in 0.5 M H2SO4 solution under illumination of AM 1.5 simulated solar light (100 mVcm(-2)). It presented superior photoelectrochemical performance to pyramid-like nanocolumn-structured WO3 thin film. PMID:27433624

  8. Growth, morphology, structure and characterization of L-histidinium dihydrogen arsenate orthoarsenic acid single crystal.

    PubMed

    Tyagi, Nidhi; Sinha, Nidhi; Yadav, Harsh; Kumar, Binay

    2016-08-01

    L-Histidinium dihydrogen arsenate orthoarsenic acid (LHAS) crystals were grown by the slow evaporation method. Single-crystal X-ray diffraction confirms monoclinic structure. The growth rates of various planes of LHAS crystals were estimated by morphological study. Hirshfeld surface and fingerprint plots were analyzed to investigate the intermolecular interactions at 0.002 a.u. present in the crystal structure. The functional groups and phase behavior of the compound are studied by FTIR spectroscopy and differential scanning calorimetry (DSC). A ferroelectric to paraelectric phase transition at 307 K was observed in dielectric studies. The piezoelectric charge coefficients of the grown crystal were found to be 2 pC/N. The values of coercive field (Ec), remnant polarization (Pr) and spontaneous polarization (Ps) in the hysteresis loop are found to be 5.236 kV cm(-1), 0.654 µC cm(-2) and 2.841 µC cm(-2), respectively. Piezoelectricity and ferroelectricity are reported for the first time in LHAS crystals. The mechanical strength was confirmed from microhardness study and void volume. Due to the low value of the dielectric constant, and good piezoelectric and ferroelectric properties, LHAS crystals can be used in microelectronics, sensors and advanced electronic devices. PMID:27484380

  9. Anisotropic small-polaron hopping in W:BiVO{sub 4} single crystals

    SciTech Connect

    Rettie, Alexander J. E.; Chemelewski, William D.; Zhou, Jianshi; Lindemuth, Jeffrey; McCloy, John S.; Marshall, Luke G.; Emin, David; Mullins, C. Buddie

    2015-01-12

    DC electrical conductivity, Seebeck and Hall coefficients are measured between 300 and 450 K on single crystals of monoclinic bismuth vanadate that are doped n-type with 0.3% tungsten donors (W:BiVO{sub 4}). Strongly activated small-polaron hopping is implied by the activation energies of the Arrhenius conductivities (about 300 meV) greatly exceeding the energies characterizing the falls of the Seebeck coefficients' magnitudes with increasing temperature (about 50 meV). Small-polaron hopping is further evidenced by the measured Hall mobility in the ab-plane (10{sup −1 }cm{sup 2 }V{sup −1 }s{sup −1} at 300 K) being larger and much less strongly activated than the deduced drift mobility (about 5 × 10{sup −5 }cm{sup 2 }V{sup −1 }s{sup −1} at 300 K). The conductivity and n-type Seebeck coefficient is found to be anisotropic with the conductivity larger and the Seebeck coefficient's magnitude smaller and less temperature dependent for motion within the ab-plane than that in the c-direction. These anisotropies are addressed by considering highly anisotropic next-nearest-neighbor (≈5 Å) transfers in addition to the somewhat shorter (≈4 Å), nearly isotropic nearest-neighbor transfers.

  10. Anisotropic small-polaron hopping in W:BiVO4 single crystals

    NASA Astrophysics Data System (ADS)

    Rettie, Alexander J. E.; Chemelewski, William D.; Lindemuth, Jeffrey; McCloy, John S.; Marshall, Luke G.; Zhou, Jianshi; Emin, David; Mullins, C. Buddie

    2015-01-01

    DC electrical conductivity, Seebeck and Hall coefficients are measured between 300 and 450 K on single crystals of monoclinic bismuth vanadate that are doped n-type with 0.3% tungsten donors (W:BiVO4). Strongly activated small-polaron hopping is implied by the activation energies of the Arrhenius conductivities (about 300 meV) greatly exceeding the energies characterizing the falls of the Seebeck coefficients' magnitudes with increasing temperature (about 50 meV). Small-polaron hopping is further evidenced by the measured Hall mobility in the ab-plane (10-1 cm2 V-1 s-1 at 300 K) being larger and much less strongly activated than the deduced drift mobility (about 5 × 10-5 cm2 V-1 s-1 at 300 K). The conductivity and n-type Seebeck coefficient is found to be anisotropic with the conductivity larger and the Seebeck coefficient's magnitude smaller and less temperature dependent for motion within the ab-plane than that in the c-direction. These anisotropies are addressed by considering highly anisotropic next-nearest-neighbor (≈5 Å) transfers in addition to the somewhat shorter (≈4 Å), nearly isotropic nearest-neighbor transfers.

  11. Single-cell proteins

    SciTech Connect

    Litchfield, J.H.

    1983-02-11

    Both photosynthetic and nonphotosynthetic microorganisms, grown on various carbon and energy sources, are used in fermentation processes for the production of single-cell proteins. Commercial-scale production has been limited to two algal processes, one bacterial process, and several yeast and fungal processes. High capital and operating costs and the need for extensive nutritional and toxicological assessments have limited the development and commercialization of new processes. Any increase in commercial-scale production appears to be limited to those regions of the world where low-cost carbon and energy sources are available and conventional animal feedstuff proteins, such as soybean meal or fish meal, are in short supply. (Refs. 59).

  12. Single-polariton optomechanics.

    PubMed

    Restrepo, Juan; Ciuti, Cristiano; Favero, Ivan

    2014-01-10

    This Letter investigates a hybrid quantum system combining cavity quantum electrodynamics and optomechanics. The Hamiltonian problem of a photon mode coupled to a two-level atom via a Jaynes-Cummings coupling and to a mechanical mode via radiation pressure coupling is solved analytically. The atom-cavity polariton number operator commutes with the total Hamiltonian leading to an exact description in terms of tripartite atom-cavity-mechanics polarons. We demonstrate the possibility to obtain cooling of mechanical motion at the single-polariton level and describe the peculiar quantum statistics of phonons in such an unconventional regime. PMID:24483897

  13. The single antenna interferometer

    SciTech Connect

    Fitch, J.P.

    1990-01-15

    Air and space borne platforms using synthetic aperture radars (SAR) have made interferometric measurements by using either two physical antennas mounted on one air-frame or two passes of one antenna over a scene. In this paper, a new interferometric technique using one pass of a single-antenna SAR system is proposed and demonstrated on data collected by the NASA-JPL AirSAR. Remotely sensed L-band microwave data are used to show the sensitivity of this technique to ocean surface features as well as a baseline for comparison with work by others using two-antenna systems. 7 refs., 3 figs.

  14. Single Axis Piezoceramic Gimbal

    NASA Technical Reports Server (NTRS)

    Horner, Garnett C.; Taleghani, Barmac K.

    1999-01-01

    This paper describes the fabrication, testing, and analysis of a single axis piezoceramic gimbal. The fabrication process consist of pre-stressing a piezoceramic wafer using a high-temperature thermoplastic polyimide and a metal foil. The differential thermal expansion between the ceramic and metal induces a curvature. The pre-stressed, curved piezoceramic is mounted on a support mechanism and a mirror is attached to the piezoceramic. A plot of gimbal angle versus applied voltage to the piezoceramic is presented. A finite element analysis of the piezoceramic gimbal is described. The predicted gimbal angle versus applied voltage is compared to experimental results.

  15. Single Axis Piezoceramic Gimbal

    NASA Technical Reports Server (NTRS)

    Horner, Garnett; Taleghani, Barmac

    2001-01-01

    This paper describes the fabrication, testing, and analysis of a single axis piezoceramic gimbal. The fabrication process consists of pre-stressing a piezoceramic wafer using a high-temperature thermoplastic polyimide and a metal foil. The differential thermal expansion between the ceramic and metal induces a curvature. The pre-stressed, curved piezoceramic is mounted on a support mechanism and a mirror is attached to the piezoceramic. A plot of gimbal angle versus applied voltage to the piezoceramic is presented. A finite element analysis of the piezoceramic gimbal is described. The predicted gimbal angle versus applied voltage is compared to experimental results.

  16. [The single coronary artery].

    PubMed

    Godart, F; Berzin, B; Rihani, R; Pecheux, M; Dutoit, A

    1992-04-01

    Single coronary artery is a fairly rare entity which may nevertheless be found in 0.4 per cent of coronary arteriograms. The authors report 3 cases seen in 2 departments of cardiology. In each patient, despite the existence of definite cardiovascular risk factors, this distribution was a factor worsening coronary ischemia, leading to complete thrombosis in one case. Although most often a chance discovery, a review of the literature justifies the attribution to this anomaly of the onset of angina, infarction or even sudden death. PMID:1642437

  17. Single Molecule Transcription Elongation

    PubMed Central

    Galburt, Eric A.; Grill, Stephan W.; Bustamante, Carlos

    2009-01-01

    Single molecule optical trapping assays have now been applied to a great number of macromolecular systems including DNA, RNA, cargo motors, restriction enzymes, DNA helicases, chromosome remodelers, DNA polymerases and both viral and bacterial RNA polymerases. The advantages of the technique are the ability to observe dynamic, unsynchronized molecular processes, to determine the distributions of experimental quantities and to apply force to the system while monitoring the response over time. Here, we describe the application of these powerful techniques to study the dynamics of transcription elongation by RNA polymerase II from Saccharomyces cerevisiae. PMID:19426807

  18. Polarized Raman study on phase transitions in 0.24Pb(In1/2Nb1/2)O3-0.43Pb(Mg1/3Nb2/3)O3-0.33PbTiO3 single crystal.

    PubMed

    Wu, Fengmin; Yang, Bin; Sun, Enwei; Zhang, Rui; Xu, Dapeng; Zhou, Jing; Cao, Wenwu

    2013-02-25

    Polarized Raman spectroscopy was performed to investigate the local lattice structure and phase transitions of unpoled 0.24Pb(In1/2Nb1/2)O3-0.43Pb(Mg1/3Nb2/3)O3-0.33PbTiO3 (0.24PIN-0.43PMN-0.33PT) single crystal in the temperature range from 30 °C to 260 °C. MA- and MC-type monoclinic phases were detected by micro-Raman spectra measured in different micro areas. Temperature dependence of Raman intensities, frequency shifts, mode merge and intensity ratios in the VV and VH geometries were investigated. Our results indicated that the monoclinic-tetragonal (M-T) phase transition of the ternary relaxorbased ferroelectric single crystal 0.24PIN-0.43PMN-0.33PT occurs at 85 °C, which is verified by the mode merging from 520 cm(-1) and 580 cm(-1) to 500 cm(-1), and the tetragonal-cubic (T-C) phase transition happens at 200 °C based on the vanishing mode at 780 cm(-1) measured in the VH polarization. PMID:24619338

  19. Single compartment drug delivery

    PubMed Central

    Cima, Michael J.; Lee, Heejin; Daniel, Karen; Tanenbaum, Laura M.; Mantzavinou, Aikaterini; Spencer, Kevin C.; Ong, Qunya; Sy, Jay C.; Santini, John; Schoellhammer, Carl M.; Blankschtein, Daniel; Langer, Robert S.

    2014-01-01

    Drug design is built on the concept that key molecular targets of disease are isolated in the diseased tissue. Systemic drug administration would be sufficient for targeting in such a case. It is, however, common for enzymes or receptors that are integral to disease to be structurally similar or identical to those that play important biological roles in normal tissues of the body. Additionally, systemic administration may not lead to local drug concentrations high enough to yield disease modification because of rapid systemic metabolism or lack of sufficient partitioning into the diseased tissue compartment. This review focuses on drug delivery methods that physically target drugs to individual compartments of the body. Compartments such as the bladder, peritoneum, brain, eye and skin are often sites of disease and can sometimes be viewed as “privileged,” since they intrinsically hinder partitioning of systemically administered agents. These compartments have become the focus of a wide array of procedures and devices for direct administration of drugs. We discuss the rationale behind single compartment drug delivery for each of these compartments, and give an overview of examples at different development stages, from the lab bench to phase III clinical trials to clinical practice. We approach single compartment drug delivery from both a translational and a technological perspective. PMID:24798478

  20. Single-case probabilities

    NASA Astrophysics Data System (ADS)

    Miller, David

    1991-12-01

    The propensity interpretation of probability, bred by Popper in 1957 (K. R. Popper, in Observation and Interpretation in the Philosophy of Physics, S. Körner, ed. (Butterworth, London, 1957, and Dover, New York, 1962), p. 65; reprinted in Popper Selections, D. W. Miller, ed. (Princeton University Press, Princeton, 1985), p. 199) from pure frequency stock, is the only extant objectivist account that provides any proper understanding of single-case probabilities as well as of probabilities in ensembles and in the long run. In Sec. 1 of this paper I recall salient points of the frequency interpretations of von Mises and of Popper himself, and in Sec. 2 I filter out from Popper's numerous expositions of the propensity interpretation its most interesting and fertile strain. I then go on to assess it. First I defend it, in Sec. 3, against recent criticisms (P. Humphreys, Philos. Rev. 94, 557 (1985); P. Milne, Erkenntnis 25, 129 (1986)) to the effect that conditional [or relative] probabilities, unlike absolute probabilities, can only rarely be made sense of as propensities. I then challenge its predominance, in Sec. 4, by outlining a rival theory: an irreproachably objectivist theory of probability, fully applicable to the single case, that interprets physical probabilities as instantaneous frequencies.

  1. Single-Mode VISAR

    SciTech Connect

    Krauter, K

    2007-11-16

    High energy-density physics (HEDP) experiments examine the properties of materials under extreme conditions. These experiments rely on the measurement of one or two velocities. These velocities are used to obtain Hugoniot relationships and thermodynamic equations of state. This methodology is referred to as 'velocimetry' and an instrument used to measure the shock wave is called a 'velocimeter' or a '(velocity) diagnostic'. The two most-widely used existing velocity diagnostics are; photonic Doppler velocimetry (PDV) and velocity interferometer system for any reflector (VISAR). PDV's advantages are a fast rise-time and ease of implementation but PDV has an upper velocity limit. Traditional implementations of VISAR have a rise time 10 times slower than PDV and are not easily implemented but are capable of measuring any velocity produced during HEDP experiments. This thesis describes a novel method of combining the positive attributes of PDV and VISAR into a more cost effective diagnostic called a Single-Mode VISAR (SMV). The new diagnostic will consist of PDV parts in a VISAR configuration. This configuration will enable the measurement of any velocity produced during shock physics experiments while the components used to build the diagnostic will give the diagnostic a fast rise time and make it easy to use. This thesis describes the process of building and testing the first single-mode VISAR. The tests include verifying the performance of the components and the diagnostic as a whole.

  2. Single ion heat engine

    NASA Astrophysics Data System (ADS)

    Singer, Kilian

    2015-03-01

    An experimental realization of a heat engine with a single ion is presented, which will allow for work extraction even with non-classical thermal reservoirs. To this goal a custom designed linear Paul trap with a single ion performing an Otto cycle is presented. The radial state of the ion is used as the working gas analogous to the gas in a conventional heat engine. The conventional piston is realized by the axial degrees of freedom and the axial motional excitation stores the generated work, just like a conventional fly-wheel. The heat baths can be realized by tailored laser radiation. Alternatively electrical noise can be used to control the state of the ion. The presented system possesses advantageous properties, as the working parameters can be tuned over a broad range and the motional degrees of freedom of the ion can be accurately determined. Dark resonances allow for fast stroboscopic thermometry during the entire working cycle. Monte Carlo simulations are performed to predict the efficiency and the gained work of the working cycle. We have also shown how the equations for the Carnot limit have to be modified if a squeezed thermal reservoir is employed. Furthermore structural phase transitions with laser cooled linear ion crystals are induced verifying the Kibble-Zurek mechanism.

  3. Single cell wound repair

    PubMed Central

    Abreu-Blanco, Maria Teresa; Verboon, Jeffrey M

    2011-01-01

    Cell wounding is a common event in the life of many cell types, and the capacity of the cell to repair day-to-day wear-and-tear injuries, as well as traumatic ones, is fundamental for maintaining tissue integrity. Cell wounding is most frequent in tissues exposed to high levels of stress. Survival of such plasma membrane disruptions requires rapid resealing to prevent the loss of cytosolic components, to block Ca2+ influx and to avoid cell death. In addition to patching the torn membrane, plasma membrane and cortical cytoskeleton remodeling are required to restore cell function. Although a general understanding of the cell wound repair process is in place, the underlying mechanisms of each step of this response are not yet known. We have developed a model to study single cell wound repair using the early Drosophila embryo. Our system combines genetics and live imaging tools, allowing us to dissect in vivo the dynamics of the single cell wound response. We have shown that cell wound repair in Drosophila requires the coordinated activities of plasma membrane and cytoskeleton components. Furthermore, we identified an unexpected role for E-cadherin as a link between the contractile actomyosin ring and the newly formed plasma membrane plug. PMID:21922041

  4. Single-Electron Transistors

    NASA Astrophysics Data System (ADS)

    Fulton, T. A.

    2000-03-01

    Subsequent to the early work, the basic all-metal single-electron transistor (SET) and its semiconductor counterparts have become widely studied, both for their own behavior and for applications. For many people, the SET is an everyday research tool whose inner workings, even though they depend on charge quantization and the energy-time uncertainty principle, can readily be understood (given electron tunneling) by simple arguments based on elementary circuit models. Our own further studies, in various collaborations, were first concerned with finding and studying interactions between charging effects and Josephson tunneling in SET circuits, which had been the original motivation. Later, looking into applications for SETs, we demonstrated a crude but recognizable form of single-electron memory. Significant digital-circuit applications of SETs still seem remote, alas, but some analog applications are promising. Recently, in an ongoing collaboration, we have fabricated an SET on the tip of a tapered glass fiber for use as a scanning probe. With it, we have mapped the electric fields over a two-dimensional electron gas having a density, n, that varies with position. In the quantum Hall regime, step-like changes in surface potential are seen along lines where n corresponds to an integer filling factor ("edge-state regions"). Currently, we are investigating certain sub-micrometer structures, which sometimes form small networks, that appear in these regions. This structure seems to involve localization of individual electrons. note

  5. Energy levels and crystal field parameters for Nd3+ ions in BaY2F8, LiKYF5, and K2YF5 single crystals.

    PubMed

    Karbowiak, M; Gnutek, P; Rudowicz, C

    2012-02-15

    The available experimental energy levels of Nd(3+) ions doped into single crystals of BaY(2)F(8), LiKYF(5), and K(2)YF(5), which exhibit low site symmetry, are reanalyzed. A combined approach based on the ascent/descent in symmetry (ADS) method, the superposition model (SPM) analysis, and the pseudosymmetry axes method (PAM) is utilized to extract the crystal field (CF) parameters, B(kq), from experimental spectra. Corresponding sets of the free-ion parameters are also fitted. The crystallographic data are used to establish the axis systems most appropriate for approximation of the actual monoclinic C(2) site symmetry to higher orthorhombic D(2) and tetragonal D(4) symmetry used in CF calculations for BaY(2)F(8). Similarly, for triclinic C(1) site symmetry in LiKYF(5) and K(2)YF(5) approximation to monoclinic C(2) and orthorhombic D(2) symmetry for LiKYF(5), whereas the monoclinic C(s) symmetry for K(2)YF(5), are considered. It is shown that the C(2v) approximation used previously for K(2)YF(5):Nd(3+) is not suitable. SPM enables to calculate for the unapproximated and idealized polyhedrons YF(8) in a given ion-host system of the combined coordination factors Sg(k,q) expressed in the modified crystallographic axis system CAS* and approximated symmetry adapted axis systems, respectively. The quantities Sg(k,q) serve as input for PAM calculations for independent determination of the axis system appropriate for higher symmetry approximations. The pseudosymmetry axes represent the axis system that reflects most closely the approximated higher symmetry of the nearest ligands in a paramagnetic complex embodied in the 4th-rank CF parameters. The combined ADS/SPM/PAM approach provides sets of starting CF parameters (CFPs) in well-defined axis systems. Multiple fittings starting from different points in the CF parameter space yield converging solutions, thus increasing the reliability of the final optimized solutions, which may be then considered as the global minima. The

  6. Electronic properties and Compton scattering studies of monoclinic tungsten dioxide

    NASA Astrophysics Data System (ADS)

    Heda, N. L.; Ahuja, Ushma

    2015-01-01

    We present the first ever Compton profile measurement of WO2 using a 20 Ci 137Cs γ-ray source. The experimental data have been used to test different approximations of density functional theory in linear combination of atomic orbitals (LCAO) scheme. It is found that theoretical Compton profile deduced using generalized gradient approximation (GGA) gives a better agreement than local density approximation and second order GGA. The computed energy bands, density of states and Mulliken's populations (MP) data confirm a metal-like behavior of WO2. The electronic properties calculated using LCAO approach are also compared with those obtained using full potential linearized augmented plane wave method. The nature of bonding in WO2 is also compared with isoelectronic WX2 (X=S, Se) compounds in terms of equal-valence-electron-density profiles and MP data, which suggest an increase in ionic character in the order WSe2→WS2→WO2.

  7. Synthesis, growth, spectral, X-ray diffraction, magnetic and thermal studies of metal-organic complex: Diiodobis(2-aminopyridine)Cadmium(II) single crystal

    NASA Astrophysics Data System (ADS)

    Venkatesan, G.; Anandha Babu, G.; Ramasamy, P.; Rajnikant

    2013-06-01

    The metal-organic hybrid complex, [Cd(2ap)2I2] (DIAC), (2ap = 2-aminopyridine) was synthesized, DIAC single crystal has been grown and characterized by FT-IR, FT-Raman, FT-1H NMR, single crystal X-ray diffraction, high resolution X-ray diffraction (HRXRD), UV-Vis-NIR transmission, magnetic and thermal studies. The metal-ligand formation of the title complex was analyzed by FT-IR, FT-Raman and 1H NMR spectroscopic studies. The DIAC crystallizes in monoclinic crystal system, space group P21/n. The coordination geometry around the Cd(II) center is a distorted tetrahedral. The single-crystal structure analysis showed that DIAC displayed three-dimensional structures containing inorganic-organic motifs with two-dimensional layers pillar-connected through hydrogen bonding framework. The high resolution X-ray diffraction studies (HRXRD) reveals that the crystalline perfection of as grown single crystal is fairly good. Thermal stability of title compound was studied by TG/DTA analysis.

  8. Syntheses, spectral characterization, single crystal X-ray diffraction and DFT computational studies of novel thiazole derivatives

    NASA Astrophysics Data System (ADS)

    Anbazhagan, R.; Sankaran, K. R.

    2013-10-01

    A novel thiazole (E)-1-((E)-2-methyl-3-phenylallylidene)-2-(4-phenylthiazole-2-yl)hydrazine 2 and its derivatives 3-8 were synthesized by cyclo condensation of (1E)-1-((E)-2-methyl-3-phenylallylidene)thiosemicarbazide 1 with substituted 2-bromoacetophenones. The synthesized thiazole derivatives were characterized by FT-IR, 1H NMR and 13C NMR analyses. For compound 8 single crystals X-ray diffraction analysis and density functional theory (DFT) calculation were carried out. The compound 8 crystallizes in the monoclinic space group P21/c with a = 7.4601 (3) Å, b = 5.7259 (2) Å, c = 41.0823 (13) Å, α = 90°, β = 91.715 (2)° and γ = 90°. The molecular geometrical parameters, frontier molecular orbital energies (HOMO, LUMO), their energy gap (ΔE), molecular electrostatic potential (MEP) and natural bond orbital (NBO) analysis of the compounds 2 and8 have been calculated by using DFT/B3LYP with 6-311G (d, p) level. In addition, IR frequencies, 1H and 13C NMR chemical shifts of compound 8 were also calculated by using DFT calculations at the same level basis set. The calculated geometrical parameters, IR frequencies, 1H and 13C NMR chemical shifts of the compound 8 were in good agreement with the observed single crystal-XRD data, IR, 1H and 13C NMR spectral values.

  9. Synthesis, growth, structural, optical, thermal and mechanical properties of an organic Urea maleic acid single crystals for nonlinear optical applications

    NASA Astrophysics Data System (ADS)

    Vinothkumar, P.; Kumar, R. Mohan; Jayavel, R.; Bhaskaran, A.

    2016-07-01

    A potential organic urea maleic acid (UMA) was synthesized and single crystals were grown at room temperature by slow evaporation and seed rotation methods. The grown crystal has been subjected to single crystal XRD analysis and found to have been crystallized in a noncentrosymmetric monoclinic crystal system with Cc as space group. The High resolution X-ray diffraction analysis revealed that the specimen is free from structural grain boundaries. The transparency of the grown crystal was confirmed by optical absorption and transmittance spectra with lower cut-off wavelength of 285 nm. The microhardness test was carried out on different planes to study the load dependent hardness values. The dislocation density of the UMA crystal was estimated from the etching studies. The dielectric permittivity and dielectric loss of the grown crystal was carried out as a function of frequency for different temperatures along three crystallographic axes. Thermal properties of UMA crystals were studied by TG-DTA analysis and it is stable upto 112 °C. The laser induced surface damage threshold of the grown crystal was measured using Nd: YAG laser. The birefringence of the crystal measured in the visible region was found to vary with the wavelength. The particle size dependent SHG of the sample was measured with different input energies by Kurtz's powder method using Nd:YAG laser.

  10. Growth, spectral, optical, thermal, and mechanical behaviour of an organic single crystal: Quinolinium 2-carboxy 6-nitrophthalate monohydrate

    NASA Astrophysics Data System (ADS)

    Mohana, J.; Ahila, G.; Bharathi, M. Divya; Anbalagan, G.

    2016-09-01

    Organic single crystals of quinolinium 2-carboxy 6-nitrophthalate monohydrate (QN) were grown by slow evaporation solution growth technique using ethanol and water as a mixed solvent. X-ray powder diffraction analysis revealed that the crystal belongs to the monoclinic crystal system with space group of P21/c. The functional groups present in the crystallized material confirmed its molecular structure. The optical transparency range and the lower cutoff wavelength were identified from the UV-vis spectrum. The optical constants were determined by UV-visible transmission spectrum at normal incidence, measured over the 200-700 nm spectral range. The dispersion of the refractive index was discussed in terms of the single-oscillator Wemple and DiDomenico model. The calculated HOMO and LUMO energies show that the charge transfer occur within the molecule. Electronic excitation properties were discussed within the framework of two level model on the basis of an orbital analysis. The nonlinear optical absorption coefficient (β) and nonlinear refraction (n2) of QN was measured by Z-scan technique and reported here. Thermal stability of QN was determined using TGA/DSC curves. Vicker's microhardness studies were carried out on the (1 1 ̅0) plane to understand the mechanical properties of the grown crystal. The microhardness measurements showed a Vickers hardness value as 18.4 kg/mm2 which is comparable to well-known organic crystal, urea.

  11. Synthesis, structure, crystal growth and characterization of a novel semiorganic nonlinear optical l-proline lithium bromide monohydrate single crystal.

    PubMed

    Sathiskumar, S; Balakrishnan, T; Ramamurthi, K; Thamotharan, S

    2015-03-01

    l-Proline lithium bromide monohydrate (LPLBM), a promising semiorganic nonlinear optical material, was synthesized and single crystals of LPLBM were grown from solution by slow evaporation technique. Single crystal X-ray structure solution reveals that the grown crystal belongs to monoclinic system with space group P21. Presence of various functional groups was identified by FT-IR and FT-Raman spectral analyses. UV-Vis-NIR spectroscopic study shows that the LPLBM crystal possesses 90% of transmittance in the range of 250-1100nm. Vickers microhardness values, the dielectric constant and dielectric loss of the LPLBM crystal were reported. Elemental analysis by energy dispersive X-ray analysis shows the presence of carbon, nitrogen, oxygen and bromine. The surface morphology of the crystal was investigated using scanning electron microscopic study. The thermal stability of the LPLBM crystal was studied from TGA and DSC analysis. Second harmonic generation efficiency of the LPLBM crystal measured by Kurtz and Perry powder technique using Nd:YAG laser is about 0.3 times that of urea. PMID:25498813

  12. Synthesis, structure, crystal growth and characterization of a novel semiorganic nonlinear optical L-proline lithium bromide monohydrate single crystal

    NASA Astrophysics Data System (ADS)

    Sathiskumar, S.; Balakrishnan, T.; Ramamurthi, K.; Thamotharan, S.

    2015-03-01

    L-Proline lithium bromide monohydrate (LPLBM), a promising semiorganic nonlinear optical material, was synthesized and single crystals of LPLBM were grown from solution by slow evaporation technique. Single crystal X-ray structure solution reveals that the grown crystal belongs to monoclinic system with space group P21. Presence of various functional groups was identified by FT-IR and FT-Raman spectral analyses. UV-Vis-NIR spectroscopic study shows that the LPLBM crystal possesses 90% of transmittance in the range of 250-1100 nm. Vickers microhardness values, the dielectric constant and dielectric loss of the LPLBM crystal were reported. Elemental analysis by energy dispersive X-ray analysis shows the presence of carbon, nitrogen, oxygen and bromine. The surface morphology of the crystal was investigated using scanning electron microscopic study. The thermal stability of the LPLBM crystal was studied from TGA and DSC analysis. Second harmonic generation efficiency of the LPLBM crystal measured by Kurtz and Perry powder technique using Nd:YAG laser is about 0.3 times that of urea.

  13. Single Cell Physiology

    NASA Astrophysics Data System (ADS)

    Neveu, Pierre; Sinha, Deepak Kumar; Kettunen, Petronella; Vriz, Sophie; Jullien, Ludovic; Bensimon, David

    The possibility to control at specific times and specific places the activity of biomolecules (enzymes, transcription factors, RNA, hormones, etc.) is opening up new opportunities in the study of physiological processes at the single cell level in a live organism. Most existing gene expression systems allow for tissue specific induction upon feeding the organism with exogenous inducers (e.g., tetracycline). Local genetic control has earlier been achieved by micro-injection of the relevant inducer/repressor molecule, but this is an invasive and possibly traumatic technique. In this chapter, we present the requirements for a noninvasive optical control of the activity of biomolecules and review the recent advances in this new field of research.

  14. Bioengineering single crystal growth.

    PubMed

    Wu, Ching-Hsuan; Park, Alexander; Joester, Derk

    2011-02-16

    Biomineralization is a "bottom-up" synthesis process that results in the formation of inorganic/organic nanocomposites with unrivaled control over structure, superior mechanical properties, adaptive response, and the capability of self-repair. While de novo design of such highly optimized materials may still be out of reach, engineering of the biosynthetic machinery may offer an alternative route to design advanced materials. Herein, we present an approach using micro-contact-printed lectins for patterning sea urchin embryo primary mesenchyme cells (PMCs) in vitro. We demonstrate not only that PMCs cultured on these substrates show attachment to wheat germ agglutinin and concanavalin A patterns but, more importantly, that the deposition and elongation of calcite spicules occurs cooperatively by multiple cells and in alignment with the printed pattern. This allows us to control the placement and orientation of smooth, cylindrical calcite single crystals where the crystallographic c-direction is parallel to the cylinder axis and the underlying line pattern. PMID:21265521

  15. The Single Component Superinsulation

    NASA Astrophysics Data System (ADS)

    Getmanets, V. F.; Goncharenko, L. G.; Mikhalchenko, R. S.; Pershin, N. P.; Stears, H.

    Many up-to-date space and ground-based applications require a superinsulation characterized by low outgassing rate, minimal emission of particles and extremely low heat conductivity. All these qualities are featured by a single- component superinsulation blankets composed of metallized film-screens provided with small "dimples" and perforations of very specific size. Our team has optimized and produced material such as this as a result of a great number of multiple successful laboratory tests. We have characterized and documented all of the relevant parameters of such a superinsulation. We have also developed, manufactured and tested a machine intended for large- scale industrial production of "dimpled" and perforated superinsulation. Within this report are presented results of tests for the new superinsulation as related to cryovessels. Resultant data shows that this superinsulation type is the best appropriate one for outer space and terrestrial applications where maximum contamination concerns are present. Several US organizations are presently performing independent evaluation of our material.

  16. Single-molecule electrophoresis

    SciTech Connect

    Castro, A.; Shera, E.B.

    1995-09-15

    A novel method for the detection and identification of single molecules in solution has been devised, computer simulated, and experimentally achieved. The technique involves the determination of electrophoretic velocities by measuring the time required for individual molecules to travel a fixed distance between two laser beams. Computer simulations of the process were performed before-hand in order to estimate the experimental feasibility of the method and to determine the optimum values for the various experimental parameters. Examples of the use of the technique for the ultrasensitive detection and identification of rhodamine-6G, a mixture of DNA restriction fragments, and a mixture of proteins in aqueous solution are presented. 20 refs., 8 figs.

  17. Single crystalline magnetite nanotubes.

    PubMed

    Liu, Zuqin; Zhang, Daihua; Han, Song; Li, Chao; Lei, Bo; Lu, Weigang; Fang, Jiye; Zhou, Chongwu

    2005-01-12

    We descried a method to synthesize single crystalline Fe3O4 nanotubes by wet-etching the MgO inner cores of MgO/Fe3O4 core-shell nanowires. Homogeneous Fe3O4 nanotubes with controllable length, diameter, and wall thickness have been obtained. Resistivity of the Fe3O4 nanotubes was estimated to be approximately 4 x 10-2 Omega cm at room temperature. Magnetoresistance of approximately 1% was observed at T = 77 K when a magnetic field of B = 0.7 T was applied. The synthetic strategy presented here may be extended to a variety of materials such as YBCO, PZT, and LCMO which should provide ideal candidates for fundamental studies of superconductivity, piezoelectricity, and ferromagnetism in nanoscale structures. PMID:15631421

  18. Compression of Single-Crystal Orthopyroxene to 60GPa

    NASA Astrophysics Data System (ADS)

    Finkelstein, G. J.; Dera, P. K.; Holl, C. M.; Dorfman, S. M.; Duffy, T. S.

    2010-12-01

    Orthopyroxene ((Mg,Fe)SiO3) is one of the dominant phases in Earth’s upper mantle - it makes up ~20% of the upper mantle by volume. At high pressures and temperatures, this phase undergoes several well-characterized phase transitions. However, when compressed at low temperature and high-pressure, orthopyroxene is predicted to exhibit metastable behavior(1). Previous researchers have found orthoenstatite (Mg endmember of orthopyroxene) persists up to ~10 GPa, and diffraction(2-3), Raman(4), and elasticity(5) experiments suggest a phase transition above this pressure to an as-yet unidentified structure. While earlier diffraction data has surprisingly only been evaluated for structural information to ~9 GPa(2), changes in high-pressure Raman spectra to ~70 GPa indicate that several more high-pressure phase transitions in orthopyroxene are likely, including at least one change in Si-coordination(6). We have recently conducted exploratory experiments to further elucidate the high-pressure behavior of orthopyroxene. Compressing a single crystal of Fe-rich orthopyroxene (Fe0.66Mg0.24Ca0.05SiO3) using a diamond anvil cell, we observe phase transitions at ~10, 14, and 30 GPa, with the new phases having monoclinic, orthorhombic, and orthorhombic symmetries, respectively. While the first two transitions do not show a significant change in volume, the phase transition at ~30 GPa shows a large decrease in volume, which is consistent with a change in Si coordination number to mixed 4- and 6-fold coordination. References: [1] S. Jahn, American Mineralogist 93, 528-532 (2008). [2] R. J. Angel, J. M. Jackson, American Mineralogist 87, 558-561 (2002). [3] R. J. Angel, D. A. Hugh-Jones, Journal of Geophysical Research-Solid Earth 99, 19,777-19,783 (1994). [4] G. Serghiou, Journal of Raman Spectroscopy 34, 587-590 (2003). [5] J. Kung et al., Physics of the Earth and Planetary Interiors 147, 27-44 (2004). [6] G. Serghiou, A. Chopelas, R. Boehler, Journal of Physics: Condensed

  19. Single Sex Education. WEEA Digest.

    ERIC Educational Resources Information Center

    Pollard, Diane S.

    Title IX of the Educational Amendments of 1972 prohibits discrimination on the basis of sex in educational institutions that receive federal financial assistance. This digest focuses on the theme of single-sex education. Articles featured in this issue include: (1) "Single-Sex Education" (Diane S. Pollard); (2) "A Legal Framework for Single-Sex…

  20. Indistinguishability of independent single photons

    NASA Astrophysics Data System (ADS)

    Sun, F. W.; Wong, C. W.

    2009-01-01

    The indistinguishability of independent single photons is presented by decomposing the single photon pulse into the mixed state of different transform-limited pulses. The entanglement between single photons and outer environment or other photons induces the distribution of the center frequencies of those transform-limited pulses and makes photons distinguishable. Only the single photons with the same transform-limited form are indistinguishable. In details, the indistinguishability of single photons from the solid-state quantum emitter and spontaneous parametric down-conversion is examined with two-photon Hong-Ou-Mandel interferometer. Moreover, experimental methods to enhance the indistinguishability are discussed, where the usage of spectral filter is highlighted.

  1. Single Molecule Mechanochemistry

    NASA Astrophysics Data System (ADS)

    Li, Shaowei; Zhang, Yanxing; Ho, Wilson; Wu, Ruqian; Ruqian Wu, Yanxing Zhang Team; Wilson Ho, Shaowei Li Team

    Mechanical forces can be used to trigger chemical reactions through bending and stretching of chemical bonds. Using the reciprocating movement of the tip of a scanning tunneling microscope (STM), mechanical energy can be provided to a single molecule sandwiched between the tip and substrate. When the mechanical pulse center was moved to the outer ring feature of a CO molecule, the reaction rate was significantly increased compared with bare Cu surface and over Au atoms. First, DFT calculations show that the presence of CO makes the Cu cavity more attractive toward H2 Second, H2 prefers the horizontal adsorption geometry in the Cu-Cu and Au-Cu cavities and no hybridization occurs between the antibonding states of H2 and states of Cu atoms. While H2 loses electrons from its bonding state in all three cavities, the filling of its anti-bonding state only occurs in the CO-Cu cavity. Both make the CO-Cu cavity much more effectively to chop the H2 molecule. Work was supported by the National Science Foundation Center for Chemical Innovation on Chemistry at the Space-Time Limit (CaSTL) under Grant No. CHE-1414466.

  2. Single-nucleon experiments

    SciTech Connect

    Deur, Alexandre

    2009-12-01

    We discuss the Jefferson Lab low momentum transfer data on moments of the nucleon spin structure functions $g_1$ and $g_2$ and on single charged pion electroproduction off polarized proton and polarized neutron. A wealth of data is now available, while more is being analyzed or expected to be taken in the upcoming years. Given the low momentum transfer selected by the experiments, these data can be compared to calculations from Chiral Perturbation theory, the effective theory of strong force that should describe it at low momentum transfer. The data on various moments and the respective calculations do not consistently agree. In particular, experimental data for higher moments disagree with the calculations.The absence of contribution from the $\\Delta$ resonance in the various observables was expected to facilitate the calculations and hence make the theory predictions either more robust or valid over a larger $Q^2$ range. Such expectation is verified only for the Bjorken sum, but not for other observables in which the $\\Delta$ is suppressed. Preliminary results on pion electroproduction off polarized nucleons are also presented and compared to phenomenological models for which contributions from different resonances are varied. Chiral Perturbation calculations of these observables, while not yet available, would be valuable and, together with these data, would provide an extensive test of the effective theory.

  3. Study of temperature-dependent Raman spectroscopy and electrical properties in [001]-oriented 0.35Pb(In1/2Nb1/2)O3-0.35Pb(Mg1/3Nb2/3)O3-0.30PbTiO3-Mn single crystals

    NASA Astrophysics Data System (ADS)

    Liu, Xing; Fang, Bijun; Deng, Ji; Yan, Hong; Deng, Hao; Yue, Qingwen; Ding, Jianning; Zhao, Xiangyong; Luo, Haosu

    2016-01-01

    In this work, the temperature-dependent Raman spectra and electrical properties of the [001]-oriented 0.5 mol. % Mn-doped 0.35Pb(In1/2Nb1/2)O3-0.35Pb(Mg1/3Nb2/3)O3-0.30PbTiO3-Mn (PIMNT-Mn) single crystals were investigated. All the unpoled and poled PIMNT-Mn single crystals experience a ferroelectric tetragonal phase to paraelectric cubic phase transition (FET-PC) around 183 °C (TC), which exhibits a second-order transition behavior. Whereas, the poled PIMNT-Mn single crystals exhibit another two dielectric anomalies around 130 °C (TRM) and 148 °C (TMT), in which the ferroelectric rhombohedral phase to ferroelectric monoclinic phase (FER-FEM) and the ferroelectric monoclinic phase to ferroelectric tetragonal phase (FEM-FET) transitions take place, respectively. Both the two ferroelectric phase transitions exhibit a first-order transition behavior. The discontinuous change of the phase degree (θ) and frequencies (fr and fa) around TRM suggest the occurrence of the FER-FEM phase transition in the poled PIMNT-Mn single crystals. The narrowing of the 510 cm-1 and 582 cm-1 Raman modes around the TRM, TMT, and TC temperatures shown in the temperature-dependent Raman spectra suggests their increased ordering of the local structure. The intensity ratio of I272 cm-1/I801 cm-1 increases obviously around the phase transition temperatures (TRM, TMT, and TC), indicating the reduction of the long-range order. The anomalous broadening of the 272 cm-1 Raman mode around the TRM, TMT, and TC temperatures indicates the occurrence of the successive ferroelectric phase transitions (FER-FEM, FEM-FET, and FET-PC) with increasing temperature in the poled PIMNT-Mn single crystals.

  4. Monovar: single-nucleotide variant detection in single cells.

    PubMed

    Zafar, Hamim; Wang, Yong; Nakhleh, Luay; Navin, Nicholas; Chen, Ken

    2016-06-01

    Current variant callers are not suitable for single-cell DNA sequencing, as they do not account for allelic dropout, false-positive errors and coverage nonuniformity. We developed Monovar (https://bitbucket.org/hamimzafar/monovar), a statistical method for detecting and genotyping single-nucleotide variants in single-cell data. Monovar exhibited superior performance over standard algorithms on benchmarks and in identifying driver mutations and delineating clonal substructure in three different human tumor data sets. PMID:27088313

  5. Single-nanowire photoelectrochemistry.

    PubMed

    Su, Yude; Liu, Chong; Brittman, Sarah; Tang, Jinyao; Fu, Anthony; Kornienko, Nikolay; Kong, Qiao; Yang, Peidong

    2016-07-01

    Photoelectrochemistry is one of several promising approaches for the realization of efficient solar-to-fuel conversion. Recent work has shown that photoelectrodes made of semiconductor nano-/microwire arrays can have better photoelectrochemical performance than their planar counterparts because of their unique properties, such as high surface area. Although considerable research effort has focused on studying wire arrays, the inhomogeneity in the geometry, doping, defects and catalyst loading present in such arrays can obscure the link between these properties and the photoelectrochemical performance of the wires, and correlating performance with the specific properties of individual wires is difficult because of ensemble averaging. Here, we show that a single-nanowire-based photoelectrode platform can be used to reliably probe the current-voltage (I-V) characteristics of individual nanowires. We find that the photovoltage output of ensemble array samples can be limited by poorly performing individual wires, which highlights the importance of improving nanowire homogeneity within an array. Furthermore, the platform allows the flux of photogenerated electrons to be quantified as a function of the lengths and diameters of individual nanowires, and we find that the flux over the entire nanowire surface (7-30 electrons nm(-2) s(-1)) is significantly reduced as compared with that of a planar analogue (∼1,200 electrons nm(-2) s(-1)). Such characterization of the photogenerated carrier flux at the semiconductor/electrolyte interface is essential for designing nanowire photoelectrodes that match the activity of their loaded electrocatalysts. PMID:27018660

  6. Single-nanowire photoelectrochemistry

    NASA Astrophysics Data System (ADS)

    Su, Yude; Liu, Chong; Brittman, Sarah; Tang, Jinyao; Fu, Anthony; Kornienko, Nikolay; Kong, Qiao; Yang, Peidong

    2016-07-01

    Photoelectrochemistry is one of several promising approaches for the realization of efficient solar-to-fuel conversion. Recent work has shown that photoelectrodes made of semiconductor nano-/microwire arrays can have better photoelectrochemical performance than their planar counterparts because of their unique properties, such as high surface area. Although considerable research effort has focused on studying wire arrays, the inhomogeneity in the geometry, doping, defects and catalyst loading present in such arrays can obscure the link between these properties and the photoelectrochemical performance of the wires, and correlating performance with the specific properties of individual wires is difficult because of ensemble averaging. Here, we show that a single-nanowire-based photoelectrode platform can be used to reliably probe the current–voltage (I–V) characteristics of individual nanowires. We find that the photovoltage output of ensemble array samples can be limited by poorly performing individual wires, which highlights the importance of improving nanowire homogeneity within an array. Furthermore, the platform allows the flux of photogenerated electrons to be quantified as a function of the lengths and diameters of individual nanowires, and we find that the flux over the entire nanowire surface (7–30 electrons nm–2 s–1) is significantly reduced as compared with that of a planar analogue (∼1,200 electrons nm–2 s–1). Such characterization of the photogenerated carrier flux at the semiconductor/electrolyte interface is essential for designing nanowire photoelectrodes that match the activity of their loaded electrocatalysts.

  7. Unfolding single- and multilayers

    NASA Astrophysics Data System (ADS)

    Llorens, Maria-Gema; Bons, Paul D.; Griera, Albert; Gomez-Rivas, Enrique

    2014-05-01

    When planar structures (e.g. sedimentary layers, veins, dykes, cleavages, etc.) are subjected to deformation, they have about equal chances to be shortened or stretched. The most common shortening and stretching structures are folds and boudinage, respectively. However, boudinage requires additional deformation mechanisms apart from viscous flow, like formation of fractures or strain localization. When folded layers are subjected to extension, they could potentially unfold back to straight layers. Although probably not uncommon, this would be difficult to recognize. Open questions are whether folded layers can unfold, what determines their mechanical behaviour and how we can recognize them in the field. In order to approach these questions, we present a series of numerical experiments that simulate stretching of previously folded single- and multi-layers in simple shear, using the two dimensional numerical modelling platform ELLE, including the finite element module BASIL that calculates viscous deformation. We investigate the parameters that affect a fold train once it rotates into the extensional field. The results show that the unfolding process strongly depends on the viscosity contrast between the layer and matrix (Llorens et al., 2013). Layers do not completely unfold when they experience softening before or during the stretching process or when other neighbouring competent layers prevent them from unfolding. The foliation refraction patterns are the main indicators of unfolded folds. Additionally, intrafolial folds and cusp-like folds adjacent to straight layers, as well as variations in fold amplitudes and limb lengths of irregular folds can also be used as indicators of stretching of a layer after shortening and folding. References: Llorens, M-.G., Bons, P.D., Griera, A. and Gomez-Rivas, E. 2013. When do folds unfold during progressive shear?. Geology, 41, 563-566.

  8. Single Molecule Detection and Imaging in Single Living Cells

    NASA Astrophysics Data System (ADS)

    Nie, Shuming

    2002-03-01

    Direct observation of single molecules and single molecular events inside living cells could dramatically improve our understanding of basic cellular processes (e.g., signal transduction and gene transcription) as well as improving our knowledge on the intracellular transport and fate of therapeutic agents (e.g., antisense RNA and gene therapy vectors). This talk will focus on using single-molecule fluorescence and luminescent quantum dots to examine the dynamics and spatial distribution of RNA and proteins inside living cells and on the surface membrane surface. These single-molecule studies yield a detailed description of molecular events and cellular structures under physiological conditions.

  9. Photothermal single particle microscopy using a single laser beam

    SciTech Connect

    Selmke, Markus; Heber, André; Braun, Marco; Cichos, Frank

    2014-07-07

    We introduce a single-laser-beam photothermal microscopy scheme for the detection of single absorbing nano-objects. Here, a modulated incident laser beam with a constant intensity offset serves as pump and probe beam at the same time. Using the out-of-phase scattering response of the retarded thermorefractive wave field, the method provides a selective contrast for absorbers over a possible background of scatterers. The use of a single wavelength and a single beam, considerably simplifies the setup and integration of photothermal detection in existing microscopy schemes.

  10. The crystal structure of {pi}-ErBO{sub 3}: New single-crystal data for an old problem

    SciTech Connect

    Pitscheider, Almut; Kaindl, Reinhard; Oeckler, Oliver; Huppertz, Hubert

    2011-01-15

    Single crystals of the orthoborate {pi}-ErBO{sub 3} were synthesized from Er{sub 2}O{sub 3} and B{sub 2}O{sub 3} under high-pressure/high-temperature conditions of 2 GPa and 800 {sup o}C in a Walker-type multianvil apparatus. The crystal structure was determined on the basis of single-crystal X-ray diffraction data, collected at room temperature. The title compound crystallizes in the monoclinic pseudowollastonite-type structure, space group C2/c, with the lattice parameters a=1128.4(2) pm, b=652.6(2) pm, c=954.0(2) pm, and {beta}=112.8(1){sup o} (R{sub 1}=0.0124 and wR{sub 2}=0.0404 for all data). -- graphical abstract: The first satisfying single-crystal structure determination of {pi}-ErBO{sub 3} sheds light on the extensively discussed structure of {pi}-orthoborates. The application of light pressure during the solid state synthesis yielded in high-quality crystals, due to pressure-induced crystallization. Research highlights: {yields} High-quality single crystals of {pi}-ErBO{sub 3} were prepared via high-pressure-induced crystallization. {yields} At least five different space groups for the rare-earth {pi}-orthoborates are reported. {yields} {pi}-ErBO{sub 3} is isotypic to the pseudowollastonite-type CaSiO{sub 3}. {yields} Remaining ambiguities regarding the structure of the rare-earth {pi}-orthoborates are resolved.

  11. Investigation of thermal diffusivity dependence on temperature in a group of optical single crystals doped with rare earth ions

    NASA Astrophysics Data System (ADS)

    Trefon-Radziejewska, D.; Bodzenta, J.

    2015-07-01

    The group of YAG, YVO4 and GdCOB single crystals was examined to determine the thermal diffusivity as a function of temperature in range from 30 °C to 300 °C. Further investigations concerned on analysis of the influence of dopants on these dependencies. The experimental setup based on thermal wave method with mirage detection was used. The samples represented different crystallographic systems such as cubic (YAG) tetragonal (YVO4) and monoclinic (GdCOB). The anisotropy of thermal conductivity of investigated samples was taken into account in the investigations. The crystals were doped with calcium ions, rare earth ions such as ytterbium, neodymium, and thulium, and also with transition metal vanadium. The results confirmed that influence of doping on the thermal diffusivity of investigated materials strongly depends on temperature. In general the thermal diffusivity decreases with increasing of sample temperature from 30 °C to 300 °C, however the drop in thermal diffusivity is the highest for pure single crystals. Doping is another factor reducing the heat transport in single crystals. Introduction of dopant ions into a crystal lattice leads to a significant decrease in the thermal diffusivity at lower temperatures in comparison with pure crystals. However, the influence of dopants becomes less pronounced with increasing temperature, and in case of weakly doped crystals it becomes negligible at higher temperatures. The interpretation of thermal diffusivity dependence on temperature for single crystals was based on the Debye model of lattice thermal conductivity of solids. The results allowed to conclude that the decrease of thermal diffusivity with temperature and increasing concentration of impurities is caused by shortening of the phonons mean free path due to phonon-phonon and phonon-point defect scatterings.

  12. Nanoscale domain structures in 0.91Pb(Zn1/3Nb2/3)O3-0.09PbTiO3 (91PZN-9PT) single crystals studied by piezoresponse forcemicroscopy

    NASA Astrophysics Data System (ADS)

    Mizanur Rahman, M.; Metselaar, Hendrik Simon Cornelis; Karmaker, Palash Chandra

    2014-04-01

    High-resolution domain studies have been performed in 91PZN-9PT single crystals by piezoresponse force microscopy. Nanometer- and micron-sized strip-shaped 180° and parallel 90° domains were observed in the rhombohedral (R) and tetragonal (T) phases. Domain patterns with the typical sizes 5-200 nm were observed on the (001)cub surface of unpoled sample. The existence of nanodomains in the sample is tentatively attributed to the relaxor nature of PZN-PT where small polar clusters may form under zero-field cooling conditions. The domain observation confirms the structure of the morphotropic 91PZN-9PT crystals, which is composed of both the R and T (or monoclinic) orientations states. The outstanding piezoelectric properties may result from the cooperative response of the microscale/nanoscale domain structure.

  13. Study on dielectric and piezoelectric properties of 0.7 Pb(Mg1/3Nb2/3)O3-0.3 PbTiO3 single crystal with nano-patterned composite electrode

    PubMed Central

    Chang, Wei-Yi; Huang, Wenbin; Bagal, Abhijeet; Chang, Chih-Hao; Tian, Jian; Han, Pengdi; Jiang, Xiaoning

    2013-01-01

    Effect of nano-patterned composite electrode and backswitching poling technique on dielectric and piezoelectric properties of 0.7 Pb(Mg1/3Nb2/3)O3-0.3 PbTiO3 was studied in this paper. Composite electrode consists of Mn nano-patterns with pitch size of 200 nm, and a blanket layer of Ti/Au was fabricated using a nanolithography based lift-off process, heat treatment, and metal film sputtering. Composite electrode and backswitching poling resulted in 27% increase of d33 and 25% increase of dielectric constant, and we believe that this is attributed to regularly defined nano-domains and irreversible rhombohedral to monoclinic phase transition in crystal. The results indicate that nano-patterned composite electrode and backswitching poling has a great potential in domain engineering of relaxor single crystals for advanced devices. PMID:24170960

  14. Synthesis, growth, structural, spectral, thermal, chemical etching, linear and nonlinear optical and mechanical studies of an organic single crystal 4-chloro 4-nitrostilbene (CONS): A potential NLO material

    NASA Astrophysics Data System (ADS)

    Dinakaran, Paul M.; Kalainathan, S.

    2013-07-01

    4-Chloro 4-nitrostilbene (CONS) a new organic nonlinear optical material has been synthesized. Employing slow evaporation method, good optical quality single crystals (dimensions up to 6 × 2 × 3 mm3) have been grown using ethyl methyl ketone (EMK) as a solvent. The grown crystals have been subjected to various characterizations such as single crystal X-ray diffraction, powder XRD, Fourier Transform Infrared spectroscopy (FTIR), proton NMR, solid UV absorption, SHG studies. Single crystal X-ray diffraction reveals that the crystal system belongs to monoclinic with noncentrosymmetric space group P21. The UV-Vis absorption spectrum has been recorded and found that the cut off wavelength is 380 nm. Functional groups and the structure of the title compound have been confirmed by FTIR and 1H NMR spectroscopic analyses respectively. Molecular mass of the CONS confirmed by the high resolution mass spectral analysis .The thermal behavior of the grown crystal has been studied by TG/DTA analysis and it shows the melting point is at 188.66 °C. Dislocations and growth pattern present in the grown crystal revealed by the etching study. The mechanical strength of the CONS crystal has been studied by Vicker's hardness measurement. The SHG efficiency of the grown crystal has been determined by Kurtz and Perry powder test which revealed that the CONS crystal (327 mV) has 15 times greater efficiency than that of KDP (21.7 mV).

  15. Watching single gold nanorods grow.

    PubMed

    Wei, Zhongqing; Qi, Hua; Li, Min; Tang, Bochong; Zhang, Zhengzheng; Han, Ruiling; Wang, Jiaojiao; Zhao, Yuliang

    2012-05-01

    The consecutive evolution process of single gold nanorods is monitored using atomic force microscopy (AFM). The single-crystal gold nanorods investigated are grown directly on surfaces to which gold seed particles are covalently linked. The growth kinetics for single nanorods is derived from the 3D information recorded by AFM. A better understanding of the seed-mediated growth mechanism may ultimately lead to the direct growth of aligned nanorods on surfaces. PMID:22378704

  16. Quantitative biology of single neurons

    PubMed Central

    Eberwine, James; Lovatt, Ditte; Buckley, Peter; Dueck, Hannah; Francis, Chantal; Kim, Tae Kyung; Lee, Jaehee; Lee, Miler; Miyashiro, Kevin; Morris, Jacqueline; Peritz, Tiina; Schochet, Terri; Spaethling, Jennifer; Sul, Jai-Yoon; Kim, Junhyong

    2012-01-01

    The building blocks of complex biological systems are single cells. Fundamental insights gained from single-cell analysis promise to provide the framework for understanding normal biological systems development as well as the limits on systems/cellular ability to respond to disease. The interplay of cells to create functional systems is not well understood. Until recently, the study of single cells has concentrated primarily on morphological and physiological characterization. With the application of new highly sensitive molecular and genomic technologies, the quantitative biochemistry of single cells is now accessible. PMID:22915636

  17. Single-Atom Single-Photon Quantum Interface

    NASA Astrophysics Data System (ADS)

    Moehring, David; Bochmann, Joerg; Muecke, Martin; Specht, Holger; Weber, Bernhard; Wilk, Tatjana; Rempe, Gerhard

    2008-05-01

    By combining atom trapping techniques and cavity cooling schemes we are able to trap a single neutral atom inside a high-finesse cavity for several tens of seconds. We show that our coupled atom-cavity system can be used to generate single photons in a controlled way. With our long trapping times and high single-photon production efficiency, the non-classical properties of the emitted light can be shown in the photon correlations of a single atom. In a similar atom-cavity setup, we investigate the interface between atoms and photons by entangling a single atom with a single photon emitted into the cavity and by further mapping the quantum state of the atom onto a second single photon. These schemes are intrinsically deterministic and establish the basic element required to realize a distributed quantum network with individual atoms at rest as quantum memories and single flying photons as quantum messengers. This work was supported by the Deutsche Forschungsgemeinschaft, and the European Union SCALA and CONQUEST programs. D. L. M. acknowledges support from the Alexander von Humboldt Foundation.

  18. Single wheel testers, single track testers, and instrumented tractors

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Single wheel testers and single track testers are used for determining tractive performance characteristics of tires and tracks. Instrumented tractors are useful in determining the tractive performance of tractors. These machines are also used for determining soil-tire and soil-track interactions,...

  19. Combining single-molecule imaging and single-channel electrophysiology.

    PubMed

    Weatherill, Eve E; Wallace, Mark I

    2015-01-16

    Combining simultaneous single-molecule fluorescence measurements of ion channel conformational change with single-channel electrophysiology would enable a direct link between structure and function. Such methods would help us to create a truly molecular "movie" of how these important biomolecules work. Here we review past and recent progress toward this goal. PMID:25026065

  20. Single-Gender Schools Scrutinized

    ERIC Educational Resources Information Center

    Zubrzycki, Jaclyn

    2012-01-01

    This article reports on a study on publicly run schools in the Republic of Trinidad and Tobago which has found that, while single-sex schools may benefit female students who prefer a single-sex environment, they are not inherently beneficial for boys or most girls. While the findings are based on data from one Caribbean nation, experts say they…

  1. Hotelling's Single Sample T2.

    ERIC Educational Resources Information Center

    Lutz, J. Gary

    1979-01-01

    A specialized vector used to interpret rejected multivariate single sample hypotheses, introduced in an earlier article by the writer (EJ 097 103), is shown here to be equivalent to the vector that would be obtained if discriminant analysis techniques were to be applied to a single sample problem. (Author)

  2. Single-photon quadratic optomechanics

    PubMed Central

    Liao, Jie-Qiao; Nori, Franco

    2014-01-01

    We present exact analytical solutions to study the coherent interaction between a single photon and the mechanical motion of a membrane in quadratic optomechanics. We consider single-photon emission and scattering when the photon is initially inside the cavity and in the fields outside the cavity, respectively. Using our solutions, we calculate the single-photon emission and scattering spectra, and find relations between the spectral features and the system's inherent parameters, such as: the optomechanical coupling strength, the mechanical frequency, and the cavity-field decay rate. In particular, we clarify the conditions for the phonon sidebands to be visible. We also study the photon-phonon entanglement for the long-time emission and scattering states. The linear entropy is employed to characterize this entanglement by treating it as a bipartite one between a single mode of phonons and a single photon. PMID:25200128

  3. Chemical Analysis of Single Cells

    NASA Astrophysics Data System (ADS)

    Borland, Laura M.; Kottegoda, Sumith; Phillips, K. Scott; Allbritton, Nancy L.

    2008-07-01

    Chemical analysis of single cells requires methods for quickly and quantitatively detecting a diverse array of analytes from extremely small volumes (femtoliters to nanoliters) with very high sensitivity and selectivity. Microelectrophoretic separations, using both traditional capillary electrophoresis and emerging microfluidic methods, are well suited for handling the unique size of single cells and limited numbers of intracellular molecules. Numerous analytes, ranging from small molecules such as amino acids and neurotransmitters to large proteins and subcellular organelles, have been quantified in single cells using microelectrophoretic separation techniques. Microseparation techniques, coupled to varying detection schemes including absorbance and fluorescence detection, electrochemical detection, and mass spectrometry, have allowed researchers to examine a number of processes inside single cells. This review also touches on a promising direction in single cell cytometry: the development of microfluidics for integrated cellular manipulation, chemical processing, and separation of cellular contents.

  4. Ionic conductivity in gem-quality single-crystal alkali feldspar from the Eifel: temperature, orientation and composition dependence

    NASA Astrophysics Data System (ADS)

    El Maanaoui, Hamid; Wilangowski, Fabian; Maheshwari, Aditya; Wiemhöfer, Hans-Dieter; Abart, Rainer; Stolwijk, Nicolaas A.

    2016-05-01

    We measured the ion conductivity of single-crystal alkali feldspar originating from two different locations in the Eifel/Germany, named Volkesfeld and Rockeskyller sanidine and having potassium site fractions C_K of 0.83 and 0.71, respectively. The dc conductivities resulting from electrochemical impedance spectroscopy over the temperature range of 300-900°C show a weak composition dependence but pronounced differences between the b-direction [perp (010)] and c^{*}-direction [perp (001)] of the monoclinic feldspar structure. Conductivity activation energies obtained from the observed linear Arrhenius plots are close to 1.2 eV in all cases, which is closely similar to the activation energies of the ^{22}Na tracer diffusivity in the same crystals. Taking into account literature data on K tracer diffusion and diffusion correlation effects, the present results point to a predominance of the interstitialcy mechanism over the vacancy mechanism in mass and charge transport on the alkali sublattice in potassium-rich alkali feldspar.

  5. Phase coexistence and transformations in field-cooled ternary piezoelectric single crystals near the morphotropic phase boundary

    SciTech Connect

    Luo, Chengtao; Wang, Yaojin Wang, Zhiguang; Ge, Wenwei; Li, Jiefang; Viehland, D.; Luo, Haosu

    2014-12-08

    Structural phase transformations in (100)-oriented Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}-Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-PbTiO{sub 3} single crystals have been investigated by X-ray diffraction. A cubic (C) → tetragonal (T) → monoclinic-C (M{sub C}) transformation sequence was observed in the field-cooled condition. Two phase coexistence regions of C + T and T + M{sub C} were found. In addition to an increase in the C → T phase transition temperature and a decrease of the T → M{sub C} one, a broadening of the coexistence regions was also found with increasing field. This broadening can be explained by the presence of polar nano regions within the C, T, and M{sub C} phase regions.

  6. Growth, crystalline perfection, optical, thermal, laser damage threshold and electrical characterization of melaminium levulinate monohydrate single crystal

    NASA Astrophysics Data System (ADS)

    Sivakumar, N.; Kanagathara, N.; Bhagavannarayana, G.; Kalainathan, S.; Anbalagan, G.

    2015-09-01

    Equimolar amounts of melamine and levulinic acid results an organic crystal of melaminium levulinate monohydrate (MLM) at room temperature. MLM belongs to a monoclinic crystal structure having P21/c space group which was confirmed by single crystal X-ray diffraction study. Functional groups present in the MLM crystal were identified by FT-IR spectral study. HRXRD study dictates the quality of MLM crystal. UV-visble spectrum of MLM reveals the lower cut-off wavelength of 293 nm with 55% optical transparency and optical band gap was found to be 4.20 eV for the prominent plane (1 0 -1). Refractive indices for the three axes of MLM crystal were found to be nx=2.6, ny=2.4 and nz=2.2 respectively. Further the thermal stability and melting point of MLM crystal were investigated by TG/DTA study. Dielectric permittivity tensor components were estimated for the planes (1 0 -1), (0 1 0) and (1 1 1) respectively. The thermal conductivity of the crystal by Wiedemann-Franz law was found to be 5.99×10-11 W/mK at 70 °C. LDT value (2.84 GW/cm2) of MLM was estimated for laser optical device applications.

  7. Single-crystal structure and Raman spectroscopy of synthetic titanite analog CaAlSiO4F

    NASA Astrophysics Data System (ADS)

    Krüger, Hannes; Többens, Daniel M.; Tropper, Peter; Haefeker, Udo; Kahlenberg, Volker; Fuchs, Martin R.; Olieric, Vincent; Troitzsch, Ulrike

    2015-10-01

    Synthetic CaAlSiO4F, the Al-F analog of titanite, has been investigated using single-crystal synchrotron diffraction experiments at Beamline X06DA (Swiss Light Source, Paul Scherrer Institute, Villigen, Switzerland) and Raman spectroscopy. The presented structural model with 40 parameters was refined against 506 unique reflections to a final R o b s of 0.026 (space group A2/ a, a = 6.9120(11), b = 8.5010(10), c = 6.435(2) Å, β = 114.670(11)°, and Z = 4) and exhibits less distorted coordination polyhedra than earlier models from powder data. Vibrational spectra were calculated in harmonic approximation at the Γ point from fully relaxed energy optimisations of the crystal structure, using 3D-periodic density functional theory with Gaussian basis sets and the software CRYSTAL06. The lattice parameters of the fully relaxed structure were in good agreement with the experimental values, with the calculated values 0.8 ± 0.4 % too large; the monoclinic angle was calculated 0.4° too large. The agreement of the calculated Raman frequencies with the observed ones was very good, with standard deviation ±3 cm-1 and maximum deviations of ±7 cm-1. Furthermore, a detailed discussion of the atomic displacements associated with each Raman mode is given.

  8. Single-shot readout of a single nuclear spin.

    PubMed

    Neumann, Philipp; Beck, Johannes; Steiner, Matthias; Rempp, Florian; Fedder, Helmut; Hemmer, Philip R; Wrachtrup, Jörg; Jelezko, Fedor

    2010-07-30

    Projective measurement of single electron and nuclear spins has evolved from a gedanken experiment to a problem relevant for applications in atomic-scale technologies like quantum computing. Although several approaches allow for detection of a spin of single atoms and molecules, multiple repetitions of the experiment that are usually required for achieving a detectable signal obscure the intrinsic quantum nature of the spin's behavior. We demonstrated single-shot, projective measurement of a single nuclear spin in diamond using a quantum nondemolition measurement scheme, which allows real-time observation of an individual nuclear spin's state in a room-temperature solid. Such an ideal measurement is crucial for realization of, for example, quantum error correction protocols in a quantum register. PMID:20595582

  9. Nanochannel Based Single Molecule Recycling

    PubMed Central

    Lesoine, John F.; Venkataraman, Prahnesh A.; Maloney, Peter C.; Dumont, Mark

    2012-01-01

    We present a method for measuring the fluorescence from a single molecule hundreds of times without surface immobilization. The approach is based on the use of electroosmosis to repeatedly drive a single target molecule in a fused silica nanochannel through a stationary laser focus. Single molecule fluorescence detected during the transit time through the laser focus is used to repeatedly reverse the electrical potential controlling the flow direction. Our method does not rely on continuous observation and therefore is less susceptible to fluorescence blinking than existing fluorescence-based trapping schemes. The variation in the turnaround times can be used to measure the diffusion coefficient on a single molecule level. We demonstrate the ability to recycle both proteins and DNA in nanochannels and show that the procedure can be combined with single-pair Förster energy transfer. Nanochannel-based single molecule recycling holds promise for studying conformational dynamics on the same single molecule in solution and without surface tethering. PMID:22662745

  10. Formation of a dinuclear copper(II) complex through the cleavage of CN bond of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole

    SciTech Connect

    Shardin, Rosidah; Pui, Law Kung; Yamin, Bohari M.; Kassim, Mohammad B.

    2014-09-03

    A simple mononuclear octahedral copper(II) complex was attempted from the reaction of three moles of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole and one mole of copper(II) perchlorate hexahydrate in methanol. However, the product of the reaction was confirmed to be a dinuclear copper(II) complex with μ-(3-(pyridin-2-yl)-pyrazolato) and 3-(pyridin-2-yl)-1H-pyrazole ligands attached to each of the Cu(II) centre atom. The copper(II) ion assisted the cleavage of the C{sub benzoyl}N bond afforded a 3-(pyridin-2-yl)-1H-pyrazole molecule. Deprotonation of the 3-(pyridin-2-yl)-1H-pyrazole gave a 3-(pyridin-2-yl)-pyrazolato, which subsequently reacted with the Cu(II) ion to give the (3-(pyridin-2-yl)-pyrazolato)(3-(pyridin-2-yl)-1H-pyrazole)Cu(II) product moiety. The structure of the dinuclear complex was confirmed by x-ray crystallography. The complex crystallized in a monoclinic crystal system with P2(1)/n space group and cell dimensions of a = 12.2029(8) Å, b = 11.4010(7) Å, c = 14.4052(9) Å and β = 102.414(2)°. The compound was further characterized by mass spectrometry, CHN elemental analysis, infrared and UV-visible spectroscopy and the results concurred with the x-ray structure. The presence of d-d transition at 671 nm (ε = 116 dm{sup 3} mol{sup −1} cm{sup −1}) supports the presence of Cu(II) centres.

  11. Method for making a single-step etch mask for 3D monolithic nanostructures.

    PubMed

    Grishina, D A; Harteveld, C A M; Woldering, L A; Vos, W L

    2015-12-18

    Current nanostructure fabrication by etching is usually limited to planar structures as they are defined by a planar mask. The realization of three-dimensional (3D) nanostructures by etching requires technologies beyond planar masks. We present a method for fabricating a 3D mask that allows one to etch three-dimensional monolithic nanostructures using only CMOS-compatible processes. The mask is written in a hard-mask layer that is deposited on two adjacent inclined surfaces of a Si wafer. By projecting in a single step two different 2D patterns within one 3D mask on the two inclined surfaces, the mutual alignment between the patterns is ensured. Thereby after the mask pattern is defined, the etching of deep pores in two oblique directions yields a three-dimensional structure in Si. As a proof of concept we demonstrate 3D mask fabrication for three-dimensional diamond-like photonic band gap crystals in silicon. The fabricated crystals reveal a broad stop gap in optical reflectivity measurements. We propose how 3D nanostructures with five different Bravais lattices can be realized, namely cubic, tetragonal, orthorhombic, monoclinic and hexagonal, and demonstrate a mask for a 3D hexagonal crystal. We also demonstrate the mask for a diamond-structure crystal with a 3D array of cavities. In general, the 2D patterns on the different surfaces can be completely independently structured and still be in perfect mutual alignment. Indeed, we observe an alignment accuracy of better than 3.0 nm between the 2D mask patterns on the inclined surfaces, which permits one to etch well-defined monolithic 3D nanostructures. PMID:26581317

  12. Method for making a single-step etch mask for 3D monolithic nanostructures

    NASA Astrophysics Data System (ADS)

    Grishina, D. A.; Harteveld, C. A. M.; Woldering, L. A.; Vos, W. L.

    2015-12-01

    Current nanostructure fabrication by etching is usually limited to planar structures as they are defined by a planar mask. The realization of three-dimensional (3D) nanostructures by etching requires technologies beyond planar masks. We present a method for fabricating a 3D mask that allows one to etch three-dimensional monolithic nanostructures using only CMOS-compatible processes. The mask is written in a hard-mask layer that is deposited on two adjacent inclined surfaces of a Si wafer. By projecting in a single step two different 2D patterns within one 3D mask on the two inclined surfaces, the mutual alignment between the patterns is ensured. Thereby after the mask pattern is defined, the etching of deep pores in two oblique directions yields a three-dimensional structure in Si. As a proof of concept we demonstrate 3D mask fabrication for three-dimensional diamond-like photonic band gap crystals in silicon. The fabricated crystals reveal a broad stop gap in optical reflectivity measurements. We propose how 3D nanostructures with five different Bravais lattices can be realized, namely cubic, tetragonal, orthorhombic, monoclinic and hexagonal, and demonstrate a mask for a 3D hexagonal crystal. We also demonstrate the mask for a diamond-structure crystal with a 3D array of cavities. In general, the 2D patterns on the different surfaces can be completely independently structured and still be in perfect mutual alignment. Indeed, we observe an alignment accuracy of better than 3.0 nm between the 2D mask patterns on the inclined surfaces, which permits one to etch well-defined monolithic 3D nanostructures.

  13. Single-electron thermal noise.

    PubMed

    Nishiguchi, Katsuhiko; Ono, Yukinori; Fujiwara, Akira

    2014-07-11

    We report the observation of thermal noise in the motion of single electrons in an ultimately small dynamic random access memory (DRAM). The nanometer-scale transistors that compose the DRAM resolve the thermal noise in single-electron motion. A complete set of fundamental tests conducted on this single-electron thermal noise shows that the noise perfectly follows all the aspects predicted by statistical mechanics, which include the occupation probability, the law of equipartition, a detailed balance, and the law of kT/C. In addition, the counting statistics on the directional motion (i.e., the current) of the single-electron thermal noise indicate that the individual electron motion follows the Poisson process, as it does in shot noise. PMID:25093235

  14. Cobalt single-molecule magnet

    NASA Astrophysics Data System (ADS)

    Yang, En-Che; Hendrickson, David N.; Wernsdorfer, Wolfgang; Nakano, Motohiro; Zakharov, Lev N.; Sommer, Roger D.; Rheingold, Arnold L.; Ledezma-Gairaud, Marisol; Christou, George

    2002-05-01

    A cobalt molecule that functions as a single-molecule magnet, [Co4(hmp)4(MeOH)4Cl4], where hmp- is the anion of hydroxymethylpyridine, is reported. The core of the molecule consists of four Co(II) cations and four hmp- oxygen atom ions at the corners of a cube. Variable-field and variable-temperature magnetization data have been analyzed to establish that the molecule has a S=6 ground state with considerable negative magnetoanisotropy. Single-ion zero-field interactions (DSz2) at each cobalt ion are the origin of the negative magnetoanisotropy. A single crystal of the compound was studied by means of a micro-superconducting quantum interference device magnetometer in the range of 0.040-1.0 K. Hysteresis was found in the magnetization versus magnetic field response of this single crystal.

  15. Single-Molecule DNA Analysis

    NASA Astrophysics Data System (ADS)

    Efcavitch, J. William; Thompson, John F.

    2010-07-01

    The ability to detect single molecules of DNA or RNA has led to an extremely rich area of exploration of the single most important biomolecule in nature. In cases in which the nucleic acid molecules are tethered to a solid support, confined to a channel, or simply allowed to diffuse into a detection volume, novel techniques have been developed to manipulate the DNA and to examine properties such as structural dynamics and protein-DNA interactions. Beyond the analysis of the properties of nucleic acids themselves, single-molecule detection has enabled dramatic improvements in the throughput of DNA sequencing and holds promise for continuing progress. Both optical and nonoptical detection methods that use surfaces, nanopores, and zero-mode waveguides have been attempted, and one optically based instrument is already commercially available. The breadth of literature related to single-molecule DNA analysis is vast; this review focuses on a survey of efforts in molecular dynamics and nucleic acid sequencing.

  16. Fluorescence Microscopy of Single Molecules

    ERIC Educational Resources Information Center

    Zimmermann, Jan; van Dorp, Arthur; Renn, Alois

    2004-01-01

    The investigation of photochemistry and photophysics of individual quantum systems is described with the help of a wide-field fluorescence microscopy approach. The fluorescence single molecules are observed in real time.

  17. Single Cell Electrical Characterization Techniques

    PubMed Central

    Mansor, Muhammad Asraf; Ahmad, Mohd Ridzuan

    2015-01-01

    Electrical properties of living cells have been proven to play significant roles in understanding of various biological activities including disease progression both at the cellular and molecular levels. Since two decades ago, many researchers have developed tools to analyze the cell’s electrical states especially in single cell analysis (SCA). In depth analysis and more fully described activities of cell differentiation and cancer can only be accomplished with single cell analysis. This growing interest was supported by the emergence of various microfluidic techniques to fulfill high precisions screening, reduced equipment cost and low analysis time for characterization of the single cell’s electrical properties, as compared to classical bulky technique. This paper presents a historical review of single cell electrical properties analysis development from classical techniques to recent advances in microfluidic techniques. Technical details of the different microfluidic techniques are highlighted, and the advantages and limitations of various microfluidic devices are discussed. PMID:26053399

  18. Single mode acoustic fiber waveguide

    NASA Technical Reports Server (NTRS)

    Jackson, B. S.; May, R. G.; Claus, R. O.

    1984-01-01

    The single mode operation of a clad rod acoustic waveguide is described. Unlike conventional clad optical and acoustic waveguiding structures which use modes confined to a central core surrounded by a cladding, this guide supports neither core nor cladding modes but a single interface wave field on the core-cladding boundary. The propagation of this bound field and the potential improved freedom from spurious responses is discussed.

  19. Acquiring a Single New Word.

    ERIC Educational Resources Information Center

    Carey, Susan; Bartlett, Elsa

    Twenty children aged 3;0 to 3;10 were studied for behavior related to the acquisition of a single new word ("chromium," which was presented as designating the color olive green). The research was conducted in three cycles: prior to exposure to "chromium," at the time of a single encounter with that word, and about a week after the first encounter.…

  20. Single nanoparticle tracking spectroscopic microscope

    DOEpatents

    Yang, Haw; Cang, Hu; Xu, Cangshan; Wong, Chung M.

    2011-07-19

    A system that can maintain and track the position of a single nanoparticle in three dimensions for a prolonged period has been disclosed. The system allows for continuously imaging the particle to observe any interactions it may have. The system also enables the acquisition of real-time sequential spectroscopic information from the particle. The apparatus holds great promise in performing single molecule spectroscopy and imaging on a non-stationary target.

  1. Rehabilitation using single stage implants

    PubMed Central

    Mohamed, Jumshad B.; Sudarsan, Sabitha; Arun, K. V.; Shivakumar, B.

    2009-01-01

    Implant related prosthesis has become an integral part of rehabilitation of edentulous areas. Single stage implant placement has become popular because of its ease of use and fairly predictable results. In this paper, we present a series of cases of single stage implants being used to rehabilitate different clinical situations. All the implants placed have been successfully restored and followed up for up to one year. PMID:20376239

  2. Single axioms for Boolean algebra.

    SciTech Connect

    McCune, W.

    2000-06-30

    Explicit single axioms are presented for Boolean algebra in terms of (1) the Sheffer stroke; (2) disjunction and negation; (3) disjunction, conjunction, and negation; and (4) disjunction, conjunction, negation, 0, and 1. It was previously known that single axioms exist for these systems, but the procedures to generate them are exponential, producing huge equations. Automated deduction techniques were applied to find axioms of lengths 105, 131, 111, and 127, respectively, each with six variables.

  3. Single-cell western blotting

    PubMed Central

    Hughes, Alex J.; Spelke, Dawn P.; Xu, Zhuchen; Kang, Chi-Chih; Schaffer, David V.; Herr, Amy E.

    2014-01-01

    To measure cell-to-cell variation in protein-mediated functions — a hallmark of biological processes — we developed an approach to conduct ~103 concurrent single-cell western blots (scWesterns) in ~4 hours. A microscope slide supporting a 30 µm-thick photoactive polyacrylamide gel enables western blotting comprised of: settling of single cells into microwells, lysis in situ, gel electrophoresis, photoinitiated blotting to immobilize proteins, and antibody probing. We apply this scWestern to monitor single rat neural stem cell differentiation and responses to mitogen stimulation. The scWestern quantifies target proteins even with off-target antibody binding, multiplexes to 11 protein targets per single cell with detection thresholds of <30,000 molecules, and supports analyses of low starting cell numbers (~200) when integrated with fluorescence activated cell sorting. The scWestern thus overcomes limitations in single-cell protein analysis (i.e., antibody fidelity, sensitivity, and starting cell number) and constitutes a versatile tool for the study of complex cell populations at single-cell resolution. PMID:24880876

  4. Composition Dependence of Electrocaloric Effect in (1 - x)Pb(Mg1/3Nb2/3)O3 -xPbTiO3 Single Crystals

    NASA Astrophysics Data System (ADS)

    Qiu, Jian-Hua; Wang, Xiu-Qin; Yuan, Ning-Yi; Ding, Jian-Ning

    2015-07-01

    Composition dependence of electrocaloric effect is investigated in (1 - x)Pb(Mg1/3Nb2/3)O3 - xPbTiO3 single crystals by using an eighth-order Landau-Devonshire theory. The applied electric field along [001] direction reduces the ferroelectric-ferroelectric phase transition temperatures, but increases the Curie temperatures. The electrocaloric coefficients of tetragonal phase are much larger than that of rhombohedral and monoclinic phase. A negative electrocaloric effect is observed near the MC-T phase transition in 0.69Pb(Mg1/3Nb2/3)O3-0.31PbTiO3 single crystal. The application of a strong enough electric field results in a high adiabatic temperature change over a broad range of temperature. Therefore, it would be useful to construct a solid state cooling cycle over a broad temperature range for practical applications. Supported by the State Key Program of National Natural Science of China under Grant No. 51335002, Changzhou Science and Technology Project under Grant No. CJ20130022, and the Priority Academic Program Development of Jiangsu Higher Education Institutions on Renewable Energy Material Science and Engineering

  5. Synthesis, spectral characterization, and single crystal structure studies of (2-nitro-ethene-1,1-diyl)-bis-((4-isopropyl-benzyl)sulfane)

    SciTech Connect

    Sakthikumar, L.; Mahalakshmy, R.; Bhargavi, G.; Srinivasan, N.

    2015-12-15

    The title compound (2-nitro-ethene-1,1-diyl)-bis-(4-isopropylbenzyl)sulfane) (5), was synthesised using a two step process. The structure of the product (5) was established by UV, FT-IR, {sup 1}H NMR, {sup 13}C NMR, C,H,N analysis, LC-MS and single crystal X-ray diffraction analysis. The single crystal of the title compound (5) was crystallized in Monoclinic with the space group of P21/c. The crystal exhibit the following unit cell parameters a = 12.8165(18), b = 6.1878(6), c = 27.082(4) Å, β = 90.705(17)°, V = 2147.6(5) A{sup 3}, Z = 4, D{sub x} = 1.242 Mg/m{sup 3} and the molecular formula of C{sub 22}H{sub 27}N{sub 1}O{sub 2}S{sub 2} was found. The final R value was 0.0776. The crystal structure is stabilized by an interesting intramolecular push and pull five membered electrocyclic interaction between the O1–N1–C2–C1–S1- and via the intermolecular H-bonding interaction between C2–H2···O2.

  6. Single phase synthesis and room temperature neutron diffraction studies on multiferroic PbFe{sub 0.5}Nb{sub 0.5}O{sub 3}

    SciTech Connect

    Matteppanavar, Shidaling; Angadi, Basavaraj; Rayaprol, Sudhindra

    2013-02-05

    The lead-iron-niobate, (PbFe{sub 0.5}Nb{sub 0.5}O{sub 3} or PFN) was synthesized by low temperature sintering Single Step / Solid State Reaction Method. The 700 Degree-Sign C/2 hrs. calcined powder was sintered at 1050 Degree-Sign C/1 hr. The sintered pellets were characterized through X-Ray Diffraction and Neutron Diffraction at room temperature. It is found from the XRD pattern that the materials is in single phase with no traces of pyrochlore phase. It was also confirmed from the neutron diffraction pattern, the structure of PFN to be monoclinic, space group Cm. Structural studies has been carried out by refining the obtained neutron diffraction data by Rietveld refinement method using Fullprof program. The neutron diffraction pattern at 300 K (room temperature) was selected to refine the structure. The lattice parameters obtained are; a = 5.6709 A, b = 5.6732 A, c = 4.0136 A, and {alpha}= 90, {beta}= 89.881, {gamma}= 90. The P-E measurements showed hysteretic behavior with high remnant polarization.

  7. Growth, optical, luminescence, thermal and mechanical behavior of an organic single crystal: 3-Acetyl-2-methyl-4-phenylquinolin-1-ium chloride.

    PubMed

    Nirosha, M; Kalainathan, S; Sarveswari, S; Vijayakumar, V

    2014-04-01

    A single crystal of 3-acetyl-2-methyl-4-phenylquinolin-1-ium chloride has grown by slow evaporation solution growth technique using ethanol as solvent. The structural, thermal, optical and mechanical property has studied for the grown crystal. Single crystal XRD revealed that the crystal belongs to monoclinic system with space group P21/c. The presences of Functional groups in the crystallized material have confirmed using the FTIR vibrational spectrum. The optical absorbance spectrum recorded from 190 to 1100nm shows the cut-off wavelength occurs at 371nm. The material shows its transparency in the entire region of the visible spectrum. The photoluminescence spectrum shows the ultraviolet and blue emission in the crystal. Thermogravimetric and differential thermal analysis reveal the thermal stability of the grown crystal. Etching study shows the grown mechanism and surface features of the crystal. Vickers microhardness studies have carried out on the (01-1) plane to understand the mechanical properties of the grown crystal. The hardness of the title compound increases on increasing the load. The Meyer's index number (n), and the stiffness constants for different loads has calculated and reported. PMID:24389003

  8. Synthesis, spectral characterization, and single crystal structure studies of (2-nitro-ethene-1,1-diyl)-bis-((4-isopropyl-benzyl)sulfane)

    NASA Astrophysics Data System (ADS)

    Sakthikumar, L.; Mahalakshmy, R.; Bhargavi, G.; Srinivasan, N.

    2015-12-01

    The title compound (2-nitro-ethene-1,1-diyl)-bis-(4-isopropylbenzyl)sulfane) (5), was synthesised using a two step process. The structure of the product (5) was established by UV, FT-IR, 1H NMR, 13C NMR, C,H,N analysis, LC-MS and single crystal X-ray diffraction analysis. The single crystal of the title compound (5) was crystallized in Monoclinic with the space group of P21/ c. The crystal exhibit the following unit cell parameters a = 12.8165(18), b = 6.1878(6), c = 27.082(4) Å, β = 90.705(17)°, V = 2147.6(5) A3, Z = 4, D x = 1.242 Mg/m3 and the molecular formula of C22H27N1O2S2 was found. The final R value was 0.0776. The crystal structure is stabilized by an interesting intramolecular push and pull five membered electrocyclic interaction between the O1-N1-C2-C1-S1- and via the intermolecular H-bonding interaction between C2-H2···O2.

  9. Single crystal growth of spin-ladder compound La8Cu7O19 by the travelling-solvent floating zone method

    NASA Astrophysics Data System (ADS)

    Mohan, A.; Singh, S.; Partzsch, S.; Zwiebler, M.; Geck, J.; Wurmehl, S.; Büchner, B.; Hess, C.

    2016-08-01

    Large single crystals of La8Cu7O19 have been grown using the travelling-solvent floating zone method. A rather high oxygen pressure of 9 bar in the growth chamber and a slow growth speed of 0.5 mm/h were among the most important parameters in stabilizing the growth of this incongruently melting compound. Interestingly, a novel growth scenario has been witnessed. The crystal structure of the grown La8Cu7O19 crystal has been analyzed using single crystal diffractometry to extract important structural parameters of this compound. We find that La8Cu7O19 crystallizes in a monoclinic structure with space group C 2 / c and has the lattice parameters a ≈ 13.83 Å, b ≈ 3.75 Å, c ≈ 34.59 Å, and β ≈ 99.33 °, in good agreement with the data obtained on polycrystalline samples in the literature. The magnetization shows a highly anisotropic behavior, and an anomaly at T ≈103 K.

  10. Correlation of the structure and the luminescence properties of Eu 3+-doped Gd 2O 3 oxide between fiber single crystal and the nano-size powders

    NASA Astrophysics Data System (ADS)

    Louis, C.; Lebbou, K.; Flores-Gonzalez, M. A.; Bazzi, R.; Hautefeuille, B.; Mercier, B.; Roux, S.; Perriat, P.; Olagnon, C.; Tillement, O.

    2004-05-01

    Gd 2- xEu xO 3 powder materials doped with Eu 3+ using different concentration from x=0 to 2 were prepared by a new sol-lyophilization synthesis and fiber single crystal (Gd 2O 3-Gd 2O 3/Eu 3+) oxides were grown using laser-heated pedestal growth (LHPG) technique. X-ray powder diffraction performed at room temperature showed that the materials obtained by lyophilization technique are cubic, lies in the nanometer range and different from bulk materials. The materials are a continued solid solution and the lattice parameter a-axis increases with Eu 3+ concentration. The fibers grown by LHPG technique were single crystal, transparent, red in color when Eu 3+ concentration is high, and the structure is monoclinic for Eu 3+<15%. The luminescence of Eu 3+ from C 2 crystallographic site was been detected. In the case of nano-particles oxide, an additional peak in emission spectral is obtained at λ=610 nm. The influence of Eu 3+, particles sizes and the structure on the luminescence spectral of Eu 3+ ions was been described.

  11. Combining single-molecule manipulation and single-molecule detection.

    PubMed

    Cordova, Juan Carlos; Das, Dibyendu Kumar; Manning, Harris W; Lang, Matthew J

    2014-10-01

    Single molecule force manipulation combined with fluorescence techniques offers much promise in revealing mechanistic details of biomolecular machinery. Here, we review force-fluorescence microscopy, which combines the best features of manipulation and detection techniques. Three of the mainstay manipulation methods (optical traps, magnetic traps and atomic force microscopy) are discussed with respect to milestones in combination developments, in addition to highlight recent contributions to the field. An overview of additional strategies is discussed, including fluorescence based force sensors for force measurement in vivo. Armed with recent exciting demonstrations of this technology, the field of combined single-molecule manipulation and single-molecule detection is poised to provide unprecedented views of molecular machinery. PMID:25255052

  12. Single atom impurity in a single molecular transistor

    SciTech Connect

    Ray, S. J.

    2014-10-21

    The influence of an impurity atom on the electrostatic behaviour of a Single Molecular Transistor was investigated through Ab-initio calculations in a double-gated geometry. The charge stability diagram carries unique signature of the position of the impurity atom in such devices which together with the charging energy of the molecule could be utilised as an electronic fingerprint for the detection of such impurity states in a nano-electronic device. The two gated geometry allows additional control over the electrostatics as can be seen from the total energy surfaces (for a specific charge state), which is sensitive to the positions of the impurity. These devices which are operational at room temperature can provide significant advantages over the conventional silicon based single dopant devices functional at low temperature. The present approach could be a very powerful tool for the detection and control of individual impurity atoms in a single molecular device and for applications in future molecular electronics.

  13. Single Shot Measurement of a Silicon Single Electron Transistor

    NASA Astrophysics Data System (ADS)

    Ferrus, T.; Hasko, D. G.; Morrissey, Q. R.; Burge, S. R.; Freeman, E. J.; French, M. J.; Lam, A.; Creswell, L.; Collier, R. J.; Williams, D. A.; Briggs, G. A. D.

    2009-06-01

    We describe measurements on a silicon single electron transistor (SET) carried out using a custom cryogenic CMOS measurement circuit (LTCMOS) in close proximity to the device. Quantum mechanical states in the SET were mapped by continuous microwave spectroscopy. The real time evolution of a particularly long lived quantum mechanical state was observed in a single shot measurement, made possible by the much faster measurement rate (50kHz bandwidth). This technique is intended to be applied to the measurement of coherent states in a charge qubit device made of a silicon double dot.

  14. Deterministic Single-Phonon Source Triggered by a Single Photon

    NASA Astrophysics Data System (ADS)

    Söllner, Immo; Midolo, Leonardo; Lodahl, Peter

    2016-06-01

    We propose a scheme that enables the deterministic generation of single phonons at gigahertz frequencies triggered by single photons in the near infrared. This process is mediated by a quantum dot embedded on chip in an optomechanical circuit, which allows for the simultaneous control of the relevant photonic and phononic frequencies. We devise new optomechanical circuit elements that constitute the necessary building blocks for the proposed scheme and are readily implementable within the current state-of-the-art of nanofabrication. This will open new avenues for implementing quantum functionalities based on phonons as an on-chip quantum bus.

  15. VVCF Single-phase Current Source Converter using Single Bridge

    NASA Astrophysics Data System (ADS)

    Neba, Yasuhiko; Matsumoto, Hirokazu; Itoh, Ryozo; Ishizaka, Kouichi; Hashimoto, Koichiro; Kaji, Daiki

    A single-phase current source converter with variable voltage and constant frequency is presented. The converter is a single bridge circuit of two legs and has a smoothing reactor in the dc side. The power source and the load are connected in series and they are connected to the bridge legs. The normal PWM method with the sinusoidal modulating and the triangular carrier waves is employed for the converter. The experimental results confirm that the PWM converter has the sinusoidal voltage and current in both the source and the load.

  16. Deterministic Single-Phonon Source Triggered by a Single Photon.

    PubMed

    Söllner, Immo; Midolo, Leonardo; Lodahl, Peter

    2016-06-10

    We propose a scheme that enables the deterministic generation of single phonons at gigahertz frequencies triggered by single photons in the near infrared. This process is mediated by a quantum dot embedded on chip in an optomechanical circuit, which allows for the simultaneous control of the relevant photonic and phononic frequencies. We devise new optomechanical circuit elements that constitute the necessary building blocks for the proposed scheme and are readily implementable within the current state-of-the-art of nanofabrication. This will open new avenues for implementing quantum functionalities based on phonons as an on-chip quantum bus. PMID:27341236

  17. Single Molecule Electronics and Devices

    PubMed Central

    Tsutsui, Makusu; Taniguchi, Masateru

    2012-01-01

    The manufacture of integrated circuits with single-molecule building blocks is a goal of molecular electronics. While research in the past has been limited to bulk experiments on self-assembled monolayers, advances in technology have now enabled us to fabricate single-molecule junctions. This has led to significant progress in understanding electron transport in molecular systems at the single-molecule level and the concomitant emergence of new device concepts. Here, we review recent developments in this field. We summarize the methods currently used to form metal-molecule-metal structures and some single-molecule techniques essential for characterizing molecular junctions such as inelastic electron tunnelling spectroscopy. We then highlight several important achievements, including demonstration of single-molecule diodes, transistors, and switches that make use of electrical, photo, and mechanical stimulation to control the electron transport. We also discuss intriguing issues to be addressed further in the future such as heat and thermoelectric transport in an individual molecule. PMID:22969345

  18. Single-photon decision maker

    PubMed Central

    Naruse, Makoto; Berthel, Martin; Drezet, Aurélien; Huant, Serge; Aono, Masashi; Hori, Hirokazu; Kim, Song-Ju

    2015-01-01

    Decision making is critical in our daily lives and for society in general and is finding evermore practical applications in information and communication technologies. Herein, we demonstrate experimentally that single photons can be used to make decisions in uncertain, dynamically changing environments. Using a nitrogen-vacancy in a nanodiamond as a single-photon source, we demonstrate the decision-making capability by solving the multi-armed bandit problem. This capability is directly and immediately associated with single-photon detection in the proposed architecture, leading to adequate and adaptive autonomous decision making. This study makes it possible to create systems that benefit from the quantum nature of light to perform practical and vital intelligent functions. PMID:26278007

  19. Single-photon decision maker.

    PubMed

    Naruse, Makoto; Berthel, Martin; Drezet, Aurélien; Huant, Serge; Aono, Masashi; Hori, Hirokazu; Kim, Song-Ju

    2015-01-01

    Decision making is critical in our daily lives and for society in general and is finding evermore practical applications in information and communication technologies. Herein, we demonstrate experimentally that single photons can be used to make decisions in uncertain, dynamically changing environments. Using a nitrogen-vacancy in a nanodiamond as a single-photon source, we demonstrate the decision-making capability by solving the multi-armed bandit problem. This capability is directly and immediately associated with single-photon detection in the proposed architecture, leading to adequate and adaptive autonomous decision making. This study makes it possible to create systems that benefit from the quantum nature of light to perform practical and vital intelligent functions. PMID:26278007

  20. Catalysis on Single Supported Atoms

    SciTech Connect

    DeBusk, Melanie Moses; Narula, Chaitanya Kumar

    2015-01-01

    The highly successful application of supported metals as heterogeneous catalysts in automotive catalysts, fuel cells, and other multitudes of industrial processes have led to extensive efforts to understand catalyst behavior at the nano-scale. Recent discovery of simple wet methods to prepare single supported atoms, the smallest nano-catalyst, has allowed for experimental validation of catalytic activity of a variety of catalysts and potential for large scale production for such catalysts for industrial processes. In this chapter, we summarize the synthetic and structural aspects of single supported atoms. We also present proposed mechanisms for the activity of single supported catalysts where conventional mechanisms cannot operate due to lack of M-M bonds in the catalysts.

  1. Nonlinear interaction between single photons.

    PubMed

    Guerreiro, T; Martin, A; Sanguinetti, B; Pelc, J S; Langrock, C; Fejer, M M; Gisin, N; Zbinden, H; Sangouard, N; Thew, R T

    2014-10-24

    Harnessing nonlinearities strong enough to allow single photons to interact with one another is not only a fascinating challenge but also central to numerous advanced applications in quantum information science. Here we report the nonlinear interaction between two single photons. Each photon is generated in independent parametric down-conversion sources. They are subsequently combined in a nonlinear waveguide where they are converted into a single photon of higher energy by the process of sum-frequency generation. Our approach results in the direct generation of photon triplets. More generally, it highlights the potential for quantum nonlinear optics with integrated devices and, as the photons are at telecom wavelengths, it opens the way towards novel applications in quantum communication such as device-independent quantum key distribution. PMID:25379916

  2. Single-photon decision maker

    NASA Astrophysics Data System (ADS)

    Naruse, Makoto; Berthel, Martin; Drezet, Aurélien; Huant, Serge; Aono, Masashi; Hori, Hirokazu; Kim, Song-Ju

    2015-08-01

    Decision making is critical in our daily lives and for society in general and is finding evermore practical applications in information and communication technologies. Herein, we demonstrate experimentally that single photons can be used to make decisions in uncertain, dynamically changing environments. Using a nitrogen-vacancy in a nanodiamond as a single-photon source, we demonstrate the decision-making capability by solving the multi-armed bandit problem. This capability is directly and immediately associated with single-photon detection in the proposed architecture, leading to adequate and adaptive autonomous decision making. This study makes it possible to create systems that benefit from the quantum nature of light to perform practical and vital intelligent functions.

  3. Room temperature single molecule microscopes

    SciTech Connect

    Ambrose, W.P.; Goodwin, P.M.; Enderlein, G.; Semin, D.J.; Keller, R.A.

    1997-12-31

    We have developed three capabilities to image the locations of and interrogate immobilized single fluorescent molecules: near-field scanning optical, confocal scanning optical, and wide-field epi-fluorescence microscopy. Each microscopy has its own advantages. Near-field illumination can beat the diffraction limit. Confocal microscopy has high brightness and temporal resolution. Wide-field has the quickest (parallel) imaging capability. With confocal microscopy, we have verified that single fluorescent spots in our images are due to single molecules by observing photon antibunching. Using all three microscopies, we have observed that xanthene molecules dispersed on dry silica curiously exhibit intensity fluctuations on millisecond to minute time scales. We are exploring the connection between the intensity fluctuations and fluctuations in individual photophysical parameters. The fluorescence lifetimes of Rhodamine 6G on silica fluctuate. The complex nature of the intensity and lifetime fluctuations is consistent with a mechanism that perturbs more than one photophysical parameter.

  4. Transform-limited single photons from a single quantum dot

    PubMed Central

    Kuhlmann, Andreas V.; Prechtel, Jonathan H.; Houel, Julien; Ludwig, Arne; Reuter, Dirk; Wieck, Andreas D.; Warburton, Richard J.

    2015-01-01

    Developing a quantum photonics network requires a source of very-high-fidelity single photons. An outstanding challenge is to produce a transform-limited single-photon emitter to guarantee that single photons emitted far apart in the time domain are truly indistinguishable. This is particularly difficult in the solid-state as the complex environment is the source of noise over a wide bandwidth. A quantum dot is a robust, fast, bright and narrow-linewidth emitter of single photons; layer-by-layer growth and subsequent nano-fabrication allow the electronic and photonic states to be engineered. This represents a set of features not shared by any other emitter but transform-limited linewidths have been elusive. Here, we report transform-limited linewidths measured on second timescales, primarily on the neutral exciton but also on the charged exciton close to saturation. The key feature is control of the nuclear spins, which dominate the exciton dephasing via the Overhauser field. PMID:26348157

  5. Single Acquisition Quantitative Single Point Electron Paramagnetic Resonance Imaging

    PubMed Central

    Jang, Hyungseok; Subramanian, Sankaran; Devasahayam, Nallathamby; Saito, Keita; Matsumoto, Shingo; Krishna, Murali C; McMillan, Alan B

    2013-01-01

    Purpose Electron paramagnetic resonance imaging (EPRI) has emerged as a promising non-invasive technology to dynamically image tissue oxygenation. Due to its extremely short spin-spin relaxation times, EPRI benefits from a single-point imaging (SPI) scheme where the entire FID signal is captured using pure phase encoding. However, direct T2*/pO2 quantification is inhibited due to constant magnitude gradients which result in time-decreasing FOV. Therefore, conventional acquisition techniques require repeated imaging experiments with differing gradient amplitudes (typically 3), which results in long acquisition time. Methods In this study, gridding was evaluated as a method to reconstruct images with equal FOV to enable direct T2*/pO2 quantification within a single imaging experiment. Additionally, an enhanced reconstruction technique that shares high spatial k-space regions throughout different phase encoding time delays was investigated (k-space extrapolation). Results The combined application of gridding and k-space extrapolation enables pixelwise quantification of T2* from a single acquisition with improved image quality across a wide range of phase encoding delay times. The calculated T2*/pO2 does not vary across this time range. Conclusion By utilizing gridding and k-space extrapolation, accurate T2*/pO2 quantification can be achieved within a single dataset to allow enhanced temporal resolution (by a factor of 3). PMID:23913515

  6. Resolution of Single Spin Flips of a Single Proton

    NASA Astrophysics Data System (ADS)

    Mooser, A.; Kracke, H.; Blaum, K.; Bräuninger, S. A.; Franke, K.; Leiteritz, C.; Quint, W.; Rodegheri, C. C.; Ulmer, S.; Walz, J.

    2013-04-01

    The spin magnetic moment of a single proton in a cryogenic Penning trap was coupled to the particle’s axial motion with a superimposed magnetic bottle. Jumps in the oscillation frequency indicate spin flips and were identified using a Bayesian analysis.

  7. Resolution of single spin flips of a single proton.

    PubMed

    Mooser, A; Kracke, H; Blaum, K; Bräuninger, S A; Franke, K; Leiteritz, C; Quint, W; Rodegheri, C C; Ulmer, S; Walz, J

    2013-04-01

    The spin magnetic moment of a single proton in a cryogenic Penning trap was coupled to the particle's axial motion with a superimposed magnetic bottle. Jumps in the oscillation frequency indicate spin flips and were identified using a Bayesian analysis. PMID:25166966

  8. Single Particle Difraction at FLASH

    SciTech Connect

    Bogan, M.; Boutet, S.; Starodub, Dmitri; Decorwin-Martin, Philippe; Chapman, H.; Bajt, S.; Schulz, J.; Hajdu, Janos; Seibert, M.M.; Iwan, Bianca; Timneanu, Nicusor; Marchesini, Stefano; Barty, Anton; Benner, W.Henry; Frank, Matthias; Hau-Riege, Stefan P.; Woods, Bruce; Rohner, Urs; /Tofwerk AG, Thun

    2010-06-11

    Single-pulse coherent diffraction patterns have been collected from randomly injected single particles with a soft X-ray free-electron laser (FEL). The intense focused FEL pulse gives a high-resolution low-noise coherent diffraction pattern of the object before that object turns into a plasma and explodes. A diffraction pattern of a single particle will only be recorded when the particle arrival into the FEL interaction region coincides with FEL pulse arrival and detector integration. The properties of the experimental apparatus coinciding with these three events set the data acquisition rate. For our single particle FLASH diffraction imaging experiments: (1) an aerodynamic lens stack prepared a particle beam that consisted of particles moving at 150-200 m/s positioned randomly in space and time, (2) the 10 fs long FEL pulses were delivered at a fixed rate, and (3) the detector was set to integrate and readout once every two seconds. The effect of these experimental parameters on the rate of data acquisition using randomly injected particles will be discussed. Overall, the ultrashort FEL pulses do not set the limit of the data acquisition, more important is the effective interaction time of the particle crossing the FEL focus, the pulse sequence structure and the detector readout rate. Example diffraction patterns of randomly injected ellipsoidal iron oxide nanoparticles in different orientations are presented. This is the first single particle diffraction data set of identical particles in different orientations collected on a shot-to-shot basis. This data set will be used to test algorithms for recovering 3D structure from single particle diffraction.

  9. Single-Site Robotic Cholecystectomy

    PubMed Central

    Jung, Myung Jae; Lee, So young; Lee, Sung Hwan; Kang, Chang Moo; Lee, Woo Jung

    2015-01-01

    Abstract This study aims to introduce an alternative technique for effective single-site robotic cholecystectomy (SSRC) using a reverse port. Proper exposure of Calot's triangle is critical for safe laparoscopic cholecystectomy. Current robotic surgical systems are useful for single-site cholecystectomy. However, in exposing Calot's triangle, the gallbladder is usually retracted in a medial and upward direction, resulting in a narrow triangle. This intraoperative view is a major obstacle to safe laparoscopic cholecystectomy. From October 2013 to October 2014, 55 consecutive patients underwent SSRC by a single surgeon at Yonsei University Severance Hospital. Initially, 5 patients underwent the original robotic single site cholecystectomy technique, and the remaining 50 patients underwent robotic single site cholecystectomy using our reverse port technique. There were no differences between the SSRC-O (original port) group and the SSRC-R (reverse port) group in terms of patient age (P = 0.244), body mass index (P = 0.503), and pathologic conditions of the gallbladder (P = 0.841). Total operation time (132.6 vs 99.12 min; P = 0.009), actual dissection time (51.6 vs 30.28 min; P = 0.001), and console time (84.4 vs 50.46 min; P = 0.001) were all significantly shorter in the SSRC-R group. Mean intraoperative blood loss was minimal in both groups (20 vs 12.4 mL, P = 0.467), and bile spillage occurred in 2 patients of the SSRC-R group. There was one case of laparoscopic conversion in the SSRC-R group. The reverse port technique described in this study successfully widened Calot's triangle and improved the safety of the current robotic surgical system for single-site robotic cholecystectomy. PMID:26496344

  10. Electrochemically Grown Single Nanowire Sensors

    NASA Technical Reports Server (NTRS)

    Yun, Minhee; Lee, Choonsup; Vasquez, Richard P.; Penner, Reginald; Bangar, Mangesh; Mulchandani, Ashok; Myung, Nosang V.

    2004-01-01

    We report a fabrication technique that is potentially capable of producing arrays of individually addressable nanowire sensors with controlled dimensions, positions, alignments, and chemical compositions. The concept has been demonstrated with electrodeposition of palladium wires with 75 nm to 350 nm widths. We have also fabricated single and double conducting polymer nanowires (polyaniline and polypyrrole) with 100nm and 200nm widths using electrochemical direct growth. Using single Pd nanowires, we have also demonstrated hydrogen sensing. It is envisioned that these are the first steps towards nanowire sensor arrays capable of simultaneously detecting multiple chemical species.

  11. Single crystalline mesoporous silicon nanowires

    SciTech Connect

    Hochbaum, A.I.; Gargas, Daniel; Jeong Hwang, Yun; Yang, Peidong

    2009-08-04

    Herein we demonstrate a novel electroless etching synthesis of monolithic, single-crystalline, mesoporous silicon nanowire arrays with a high surface area and luminescent properties consistent with conventional porous silicon materials. These porous nanowires also retain the crystallographic orientation of the wafer from which they are etched. Electron microscopy and diffraction confirm their single-crystallinity and reveal the silicon surrounding the pores is as thin as several nanometers. Confocal fluorescence microscopy showed that the photoluminescence (PL) of these arrays emanate from the nanowires themselves, and their PL spectrum suggests that these arrays may be useful as photocatalytic substrates or active components of nanoscale optoelectronic devices.

  12. Single Quantum Level Electron Turnstile

    NASA Astrophysics Data System (ADS)

    van Zanten, D. M. T.; Basko, D. M.; Khaymovich, I. M.; Pekola, J. P.; Courtois, H.; Winkelmann, C. B.

    2016-04-01

    We report on the realization of a single-electron source, where current is transported through a single-level quantum dot (Q ) tunnel coupled to two superconducting leads (S ). When driven with an ac gate voltage, the experiment demonstrates electron turnstile operation. Compared to the more conventional superconductor-normal-metal-superconductor turnstile, our superconductor-quantum-dot-superconductor device presents a number of novel properties, including higher immunity to the unavoidable presence of nonequilibrium quasiparticles in superconducting leads. Moreover, we demonstrate its ability to deliver electrons with a very narrow energy distribution.

  13. Single Quantum Level Electron Turnstile.

    PubMed

    van Zanten, D M T; Basko, D M; Khaymovich, I M; Pekola, J P; Courtois, H; Winkelmann, C B

    2016-04-22

    We report on the realization of a single-electron source, where current is transported through a single-level quantum dot (Q) tunnel coupled to two superconducting leads (S). When driven with an ac gate voltage, the experiment demonstrates electron turnstile operation. Compared to the more conventional superconductor-normal-metal-superconductor turnstile, our superconductor-quantum-dot-superconductor device presents a number of novel properties, including higher immunity to the unavoidable presence of nonequilibrium quasiparticles in superconducting leads. Moreover, we demonstrate its ability to deliver electrons with a very narrow energy distribution. PMID:27152817

  14. Localized functionalization of single nanopores

    SciTech Connect

    Nilsson, J; Lee, J I; Ratto, T V; Letant, S E

    2005-09-12

    We demonstrate the localization of chemical functionality at the entrance of single nanopores for the first time by using the controlled growth of an oxide ring. Nanopores were fabricated by Focused Ion Beam machining on silicon platforms, locally derivatized by ion beam assisted oxide deposition, and further functionalized with DNA probes via silane chemistry. Ionic current recorded through single nanopores at various stages of the fabrication process demonstrated that the apertures can be locally functionalized with DNA probes. Future applications for this functional platform include the selective detection of biological organisms and molecules by ionic current blockade measurements.

  15. Crystalline perfection, optical and third harmonic generation analyses of non-linear optical single crystal of L-lysine acetate

    NASA Astrophysics Data System (ADS)

    Rani, Neelam; Vijayan, N.; Thukral, Kanika; Maurya, K. K.; Haranath, D.; Bhagavannarayana, G.; Verma, S.; Wahab, M. A.

    2013-03-01

    The potential organic non-linear optical single crystal of L-lysine acetate has been grown by slow evaporation solution growth technique (SEST) at room temperature. It crystallizes in the monoclinic system with space group of P21. The crystalline perfection of the grown single crystal has been examined by high resolution X-ray diffraction analysis (HRXRD). The functional groups of the synthesized compound have been identified by 13C NMR, 1H NMR and FTIR analyses. The optical absorption studies show that the crystal is transparent in the entire visible region with a cut-off wavelength of 236 nm. The optical band gap is found to be 5.29 eV. The steady-state PL spectra was recorded for pure L-lysine acetate crystal at room temperature. The third harmonic generation efficiency of the crystal has been evaluated by Z-scan technique and its non-linear optical coefficient has been calculated. Birefringence measurement has been carried out in order to see the optical homogeneity of the grown specimen. Its electrical properties has been assessed by dielectric measurement at different temperatures. The calculated optical band gap is 5.29 eV. Its thermal parameters like thermal diffusivity (α), thermal effusivity (e), thermal conductivity (k) and heat capacity (Cp) have been determined by photopyroelectric technique. Vickers micro hardness studies were carried out using a Vickers hardness tester equipped with a diamond square indenter. The piezoelectric measurement for L-lysine acetate has been also been carried at ambient condition.

  16. Synthesis, crystal growth and characterization of a D-π-A type novel organic nonlinear optical single crystal

    NASA Astrophysics Data System (ADS)

    Praveen Menezes, Anthoni; Jayarama, A.; Weng Ng, Seik

    2014-09-01

    A new organic nonlinear optical material 3-(4-chlorophenyl)-1-(pyridin-3-yl) prop-2-en-1-one (CPP) having high second harmonic generation efficiency has been synthesized by a Claisen-Schmidt condensation reaction method. Single crystals of CPP were grown by a slow evaporation solution growth technique. The details about the various functional groups present are obtained by FTIR, FT-Raman and 1H NMR spectroscopic studies. The single-crystal X-ray diffraction (XRD) shows that CPP crystallizes in a monoclinic crystal system with noncentrosymmetric space group P21 and the cell parameters are a=5.9339(2) Å, b=4.8881(2) Å, c=19.7804(8) Å and V=568.21(4) Å3. The second harmonic generation (SHG) efficiency of the crystal is 3.67 times that of Urea. The molecular dipoles aligned in zig-zag head to tail fashion along the crystallographic b-axis result in a net polarization and hence large SHG conversion efficiency. From UV-visible study it is found that the crystal is transparent in the entire visible region. The energy band gap of the material is found using Tauc's plot and by a direct method. The molecular origin of SHG efficiency is discussed in detail based on the experimental results. The position of nitrogen atom in the pyridine ring has considerable effect on the NLO response of the chalcone derivatives. The crystal is thermally stable up to 133 °C and can be used for NLO device applications.

  17. Single Sheet Agricultural Mechanics Plans.

    ERIC Educational Resources Information Center

    Schumacher, Leon, Ed.

    This packet contains 25 single-page plans for agricultural mechanics projects. Each plan consists of a one-page set of drawings of the object to be made with a list of needed materials, a cut list, and step-by-step construction procedures on the back of the page. Plans for the following wood projects are included: bluebird house, lawn seat, dog…

  18. Single-Donor Leukophoretic Technique

    NASA Technical Reports Server (NTRS)

    Eberhardt, R. N.

    1977-01-01

    Leukocyte separation-and-retrieval device utilizes granulocyte and monocyte property of leukoadhesion to glass surfaces as basis of their separation from whole blood. Device is used with single donor technique and has application in biological and chemical processing, veterinary research and clinical care.

  19. Single photon searches at PEP

    SciTech Connect

    Hollebeek, R.

    1985-12-01

    The MAC and ASP searches for events with a single photon and no other observed particles are reviewed. New results on the number of neutrino generations and limits on selection, photino, squark and gluino masses from the ASP experiment are presented.

  20. Nanodevices for Single Molecule Studies

    NASA Astrophysics Data System (ADS)

    Craighead, H. G.; Stavis, S. M.; Samiee, K. T.

    During the last two decades, biotechnology research has resulted in progress in fields as diverse as the life sciences, agriculture and healthcare. While existing technology enables the analysis of a variety of biological systems, new tools are needed for increasing the efficiency of current methods, and for developing new ones altogether. Interest has grown in single molecule analysis for these reasons.

  1. CERN single sign on solution

    NASA Astrophysics Data System (ADS)

    Ormancey, E.

    2008-07-01

    The need for Single Sign On has always been restricted by the absence of cross platform solutions: a single sign on working only on one platform or technology is nearly useless. The recent improvements in Web Services Federation (WS-Federation) standard enabling federation of identity, attribute, authentication and authorization information can now provide real extended Single Sign On solutions. Various solutions have been investigated at CERN and now, a Web SSO solution using some parts of WS-Federation technology is available. Using the Shibboleth Service Provider module for Apache hosted web sites and Microsoft ADFS as the identity provider linked to Active Directory user, users can now authenticate on any web application using a single authentication platform, providing identity, user information (building, phone...) as well as group membership enabling authorization possibilities. A typical scenario: a CERN user can now authenticate on a Linux/Apache website using Windows Integrated credentials, and his Active Directory group membership can be checked before allowing access to a specific web page.

  2. Job Displacement Among Single Mothers:

    PubMed Central

    Brand, Jennie E.; Thomas, Juli Simon

    2015-01-01

    Given the recent era of economic upheaval, studying the effects of job displacement has seldom been so timely and consequential. Despite a large literature associating displacement with worker well-being, relatively few studies focus on the effects of parental displacement on child well-being, and fewer still focus on implications for children of single parent households. Moreover, notwithstanding a large literature on the relationship between single motherhood and children’s outcomes, research on intergenerational effects of involuntary employment separations among single mothers is limited. Using 30 years of nationally representative panel data and propensity score matching methods, we find significant negative effects of job displacement among single mothers on children’s educational attainment and social-psychological well-being in young adulthood. Effects are concentrated among older children and children whose mothers had a low likelihood of displacement, suggesting an important role for social stigma and relative deprivation in the effects of socioeconomic shocks on child well-being. PMID:25032267

  3. Single-Pilot Workload Management

    NASA Technical Reports Server (NTRS)

    Rogers, Jason; Williams, Kevin; Hackworth, Carla; Burian, Barbara; Pruchnicki, Shawn; Christopher, Bonny; Drechsler, Gena; Silverman, Evan; Runnels, Barry; Mead, Andy

    2013-01-01

    Integrated glass cockpit systems place a heavy cognitive load on pilots (Burian Dismukes, 2007). Researchers from the NASA Ames Flight Cognition Lab and the FAA Flight Deck Human Factors Lab examined task and workload management by single pilots. This poster describes pilot performance regarding programming a reroute while at cruise and meeting a waypoint crossing restriction on the initial descent.

  4. The first single atom magnet

    NASA Astrophysics Data System (ADS)

    Donati, Fabio; Rusponi, Stefano; Wäckerlin, Christian; Singha, Aparajita; Baltic, Romana; Diller, Katharina; Patthey, François; Fernandes, Edgar; Brune, Harald; Dreiser, Jan; Sljivancanin, Zeljko; Kummer, Kurt; Stepanow, Sebastian; Persichetti, Luca; Nistor, Corneliu; Gambardella, Pietro

    The prime feature of a magnet is to retain a significant fraction of its saturation magnetization in the absence of an external magnetic field. Realizing magnetic remanence in a single atom would allow storing and processing information in the smallest unit of matter. Here we show that individual rare-earth atoms on ultrathin insulating layers grown on non-magnetic metal substrates exhibit magnetic remanence and, therefore, are the first magnets formed by a single surface adsorbed atom. These magnets have a magnetic lifetime of 1500 s and a coercive field of 3.7 T at 10 K. In addition, their hysteresis loop remains open up to 30 K. This first example of a single atom magnet shows bistability at a temperature which is significantly higher than the best single molecule magnets reported so far. Its extraordinary stability is achieved by a suitable combination of magnetic ground state and adsorption site symmetry, and by decoupling the 4 f spin from the underlying metal by a tunnel barrier.

  5. Why Buy Single-Ply?

    ERIC Educational Resources Information Center

    Gwizdala, Mike

    1999-01-01

    Explains the benefits of prefabricated reinforced thermoplastic single-ply roofs as good solutions for education-facility roofing needs. Top benefits include durability, energy efficiency, no maintenance required, no hazardous materials present, and very water and wind resistant qualities. (GR)

  6. Single element laser beam shaper

    DOEpatents

    Zhang, Shukui; Michelle D. Shinn

    2005-09-13

    A single lens laser beam shaper for converting laser beams from any spatial profile to a flat-top or uniform spatial profile. The laser beam shaper includes a lens having two aspheric surfaces. The beam shaper significantly simplifies the overall structure in comparison with conventional 2-element systems and therefore provides great ease in alignment and reduction of cost.

  7. Single-electron charging effects

    SciTech Connect

    Ruggiero, S.T.

    1991-12-15

    The status of our project on single-electron tunneling is, again, excellent. As outlined in our original proposal, a key goal for this project has been the development of a scanning tunneling instrument for the purpose of imaging individual particles and tunneling into these particles at high magnetic fields. Further progress is discussed in this report.

  8. Handbook for Prospective Single Parents.

    ERIC Educational Resources Information Center

    Marindin, Hope

    This handbook for prospective single adoptive parents provides information on locating and adopting a child, necessary clothing and supplies for children of various ages, health and day care arrangements, expenses incurred after adoption, various financial benefits and subsidies available to the adoptive parent, and legal and financial provisions…

  9. Single mode glass fiber welding

    NASA Technical Reports Server (NTRS)

    Nelson, M. D.; Fearnehough, H. T.; Goldstein, R.; Goss, W. C.

    1979-01-01

    The electric-arc welding of commercially available single-mode optical fiber has been demonstrated. A mean transmission of 92% and a maximum transmission of 98% are reported for welds of fiber waveguide of 4.5 microns core diameter.

  10. Pulsed Single Frequency Fiber Lasers

    NASA Astrophysics Data System (ADS)

    Jiang, Shibin

    2016-06-01

    Pulsed single frequency fiber lasers with mJ level near 1 micron, 1.55 micron and 2 micron wavelengths were demonstrated by using our proprietary highly doped fibers. These fiber lasers exhibit excellent long term stable operation with M2<1.2.

  11. SINGLE FIBER TESTING VIA FAVIMAT

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cotton fiber is usually tested in bulk form utilizing a mass or beard of fibers to be presented to a test instrument for measurement. There are many reasons for this, not the least of which is that handling single cotton fibers is tedious and time consuming. Cotton breeders are being pushed to mak...

  12. Overhearing Single and Multiple Perspectives

    ERIC Educational Resources Information Center

    Fox Tree, Jean E.; Mayer, Sarah A.

    2008-01-01

    In 2 spontaneous speech experiments, this study found that multiple perspectives improved overhearers' abilities to select abstract shapes from an array, although single-perspective descriptions were more detailed. Prior findings that overhearers performed better when listening in on dialogues (Fox Tree, 1999) can best be understood as an…

  13. Single-cell and single-molecule laser biotechnology

    NASA Astrophysics Data System (ADS)

    Greulich, Karl O.; Bauer, Eckhard; Fiedler, Ursula; Hoyer, Carsten; Koenig, Karsten; Monajembashi, Shamci

    1996-01-01

    While lasers have found a wide field of application in the analysis of cells and biomolecules, their use in manipulation is less common. Now, new applications of lasers are emerging, which aim at cells and even molecules as biotechnological individuals: For example, in single cell gel electrophoresis individual cells are irradiated by UV laser pulses which cause radiation damage to DNA. When the whole cell is positioned in an electric field and the UV induced damages are converted into DNA strand breaks, the resulting DNA fragments are eluted out of the cell nucleus. Small fragments are running further than large ones. After staining of the DNA fragments, the cell has the appearance like a comet (therefore comet assay). The tail moment, a parameter quantifying the shape of the tail, gives information on the degree of DNA damage. The kinetics of DNA damage induction can be described by a type of exponential law with parameters which are related to radiation sensitivity of the DNA. A further emerging technique aims at DNA as a molecular individuum. One pivotal step for single molecule DNA analysis is single molecule handling. For that purpose, a DNA molecule is coupled to a micrometer sized polystyrene bead, either via an avidin-biotin bridge or, more specifically, by strand recognition, and labeled with fluorescence dyes such as DAPI. In order to visualize the dynamics of individual DNA molecules, highly sensitive video processing and single photon counting is required. Moving the polystyrene bead using optical tweezers, the molecule can be deformed, i.e., bent, turned or stretched. Using a laser microbeam, the same individual molecule can be cut into smaller portions.

  14. A single-molecule approach to ZnO defect studies: Single photons and single defects

    SciTech Connect

    Jungwirth, N. R.; Pai, Y. Y.; Chang, H. S.; MacQuarrie, E. R.; Nguyen, K. X.; Fuchs, G. D.

    2014-07-28

    Investigations that probe defects one at a time offer a unique opportunity to observe properties and dynamics that are washed out of ensemble measurements. Here, we present confocal fluorescence measurements of individual defects in ZnO nanoparticles and sputtered films that are excited with sub-bandgap energy light. Photon correlation measurements yield both antibunching and bunching, indicative of single-photon emission from isolated defects that possess a metastable shelving state. The single-photon emission is in the range of ∼560–720 nm and typically exhibits two broad spectral peaks separated by ∼150 meV. The excited state lifetimes range from 1 to 13 ns, consistent with the finite-size and surface effects of nanoparticles and small grains. We also observe discrete jumps in the fluorescence intensity between a bright state and a dark state. The dwell times in each state are exponentially distributed and the average dwell time in the bright (dark) state does (may) depend on the power of the exciting laser. Taken together, our measurements demonstrate the utility of a single-molecule approach to semiconductor defect studies and highlight ZnO as a potential host material for single-defect based applications.

  15. Femtosecond single-electron diffraction

    PubMed Central

    Lahme, S.; Kealhofer, C.; Krausz, F.; Baum, P.

    2014-01-01

    Ultrafast electron diffraction allows the tracking of atomic motion in real time, but space charge effects within dense electron packets are a problem for temporal resolution. Here, we report on time-resolved pump-probe diffraction using femtosecond single-electron pulses that are free from intra-pulse Coulomb interactions over the entire trajectory from the source to the detector. Sufficient average electron current is achieved at repetition rates of hundreds of kHz. Thermal load on the sample is avoided by minimizing the pump-probe area and by maximizing heat diffusion. Time-resolved diffraction from fibrous graphite polycrystals reveals coherent acoustic phonons in a nanometer-thick grain ensemble with a signal-to-noise level comparable to conventional multi-electron experiments. These results demonstrate the feasibility of pump-probe diffraction in the single-electron regime, where simulations indicate compressibility of the pulses down to few-femtosecond and attosecond duration. PMID:26798778

  16. Single laser beam photothermal microscopy

    NASA Astrophysics Data System (ADS)

    Heber, Andre; Selmke, Markus; Braun, Marco; Cichos, Frank

    2015-03-01

    Fluorescence microscopy provides a tool to study dynamics in softmatter materials on a molecular level. However, the observation time for fluorescent objects is limited due to bleaching. One way to overcome this limitation is the use of gold nanoparticles as labels. They are chemically inert under typical situations. These particles are selectively imaged using a modulated heating laser and a non-absorbed detection laser even in the presence of background scatterers. The absorbed power results in a localised temperature profile and to a refractive index change which only occurs for absorption. For finite thermal diffusivities the temperature profile does not instantly follow temperature changes present on the nanoparticle's surface. This results in an out-of-phase modulation of the detection laser. By exploiting the limited thermal diffusivity we show that a single laser beam being intensity modulated is enough to selectively image and quantify absorption. The use of a single laser makes photothermal microscopy easier to implement into existing microscopy setups.

  17. Single-bunch synchrotron shutter

    DOEpatents

    Norris, James R.; Tang, Jau-Huei; Chen, Lin; Thurnauer, Marion

    1993-01-01

    An apparatus for selecting a single synchrotron pulse from the millions of pulses provided per second from a synchrotron source includes a rotating spindle located in the path of the synchrotron pulses. The spindle has multiple faces of a highly reflective surface, and having a frequency of rotation f. A shutter is spaced from the spindle by a radius r, and has an open position and a closed position. The pulses from the synchrotron are reflected off the spindle to the shutter such that the speed s of the pulses at the shutter is governed by: s=4.times..pi..times.r.times.f. such that a single pulse is selected for transmission through an open position of the shutter.

  18. Sr+ single-ion clock

    NASA Astrophysics Data System (ADS)

    Dubé, P.; Madej, A. A.; Jian, B.

    2016-06-01

    The evaluated uncertainty of the 88Sr+ ion optical clock has decreased by several orders of magnitude during the last 15 years, currently reaching a level of 1.2 x 10-17. In this paper, we review the methods developed to control very effectively the largest frequency shifts that once were the main sources of uncertainty for the 88Sr+ single-ion clock. These shifts are the micromotion shifts, the electric quadrupole shift and the blackbody radiation shift. With further improvements to the evaluation of the systematic shifts, especially the blackbody radiation shift, it is expected that the total uncertainty of the single-ion clock transition frequency will reach the low 10-18 level in the near future.

  19. Single mode levitation and translation

    NASA Technical Reports Server (NTRS)

    Barmatz, Martin B. (Inventor); Allen, James L. (Inventor)

    1988-01-01

    A single frequency resonance mode is applied by a transducer to acoustically levitate an object within a chamber. This process allows smooth movement of the object and suppression of unwanted levitation modes that would urge the object to a different levitation position. A plunger forms one end of the chamber, and the frequency changes as the plunger moves. Acoustic energy is applied to opposite sides of the chamber, with the acoustic energy on opposite sides being substantially 180 degrees out of phase.

  20. Single lens laser beam shaper

    DOEpatents

    Liu, Chuyu; Zhang, Shukui

    2011-10-04

    A single lens bullet-shaped laser beam shaper capable of redistributing an arbitrary beam profile into any desired output profile comprising a unitary lens comprising: a convex front input surface defining a focal point and a flat output portion at the focal point; and b) a cylindrical core portion having a flat input surface coincident with the flat output portion of the first input portion at the focal point and a convex rear output surface remote from the convex front input surface.

  1. Control of Single Wheel Robots

    NASA Astrophysics Data System (ADS)

    Xu, Yangsheng; Ou, Yongsheng

    This monograph presents a novel concept of a mobile robot, which is a single-wheel, gyroscopically stabilized robot. The robot is balanced by a spinning wheel attached through a two-link manipulator at the wheel bearing, and actuated by a drive motor. This configuration conveys significant advantages including insensitivity to attitude disturbances, high maneuverability, low rolling resistance, ability to recover from falls, and amphibious capability for potential applications on both land and water.

  2. Turbine endwall single cylinder program

    NASA Technical Reports Server (NTRS)

    Langston, L. S.

    1982-01-01

    Detailed measurement of the flow field in front of a large-scale single cylinder, mounted in a wind tunnel is discussed. A better understanding of the three dimensional separation occuring in front of the cylinder on the endwall, and of the vortex system that is formed is sought. A data base with which to check analytical and numerical computer models of three dimensional flows is also anticipated.

  3. The Single Nucleotide Polymorphism Consortium

    NASA Technical Reports Server (NTRS)

    Morgan, Michael

    2003-01-01

    I want to discuss both the Single Nucleotide Polymorphism (SNP) Consortium and the Human Genome Project. I am afraid most of my presentation will be thin on law and possibly too high on rhetoric. Having been engaged in a personal and direct way with these issues as a trained scientist, I find it quite difficult to be always as objective as I ought to be.

  4. Single port laparoscopic mesh rectopexy

    PubMed Central

    2016-01-01

    Introduction Traditionally, laparoscopic mesh rectopexy is performed with four ports, in an attempt to improve cosmetic results. Following laparoscopic mesh rectopexy there is a new operative technique called single-port laparoscopic mesh rectopexy. Aim To evaluate the single-port laparoscopic mesh rectopexy technique in control of rectal prolapse and the cosmesis and body image issues of this technique. Material and methods The study was conducted in El Fayoum University Hospital between July 2013 and November 2014 in elective surgery for symptomatic rectal prolapse with single-port laparoscopic mesh rectopexy on 10 patients. Results The study included 10 patients: 3 (30%) males and 7 (70%) females. Their ages ranged between 19 years and 60 years (mean: 40.3 ±6 years), and they all underwent laparoscopic mesh rectopexy. There were no conversions to open technique, nor injuries to the rectum or bowel, and there were no mortalities. Mean operative time was 120 min (range: 90–150 min), and mean hospital stay was 2 days (range: 1–3 days). Preoperatively, incontinence was seen in 5 (50%) patients and constipation in 4 (40%). Postoperatively, improvement in these symptoms was seen in 3 (60%) patients for incontinence and in 3 (75%) for constipation. Follow-up was done for 6 months and no recurrence was found with better cosmetic appearance for all patients. Conclusions Single-port laparoscopic mesh rectopexy is a safe procedure with good results as regards operative time, improvement in bowel function, morbidity, cost, and recurrence, and with better cosmetic appearance. PMID:27350840

  5. Single Nanowire Probe for Single Cell Endoscopy and Sensing

    NASA Astrophysics Data System (ADS)

    Yan, Ruoxue

    The ability to manipulate light in subwavelength photonic and plasmonic structures has shown great potentials in revolutionizing how information is generated, transformed and processed. Chemically synthesized nanowires, in particular, offers a unique toolbox not only for highly compact and integrated photonic modules and devices, including coherent and incoherent light sources, waveguides, photodetectors and photovoltaics, but also for new types of nanoscopic bio-probes for spot cargo delivery and in-situ single cell endoscopy and sensing. Such nanowire probes would enable us to carry out intracellular imaging and probing with high spatial resolution, monitor in-vivo biological processes within single living cells and greatly improve our fundamental understanding of cell functions, intracellular physiological processes, and cellular signal pathways. My work is aimed at developing a material and instrumental platform for such single nanowire probe. Successful optical integration of Ag nanowire plasmonic waveguides, which offers deep subwavelength mode confinement, and conventional photonic waveguides was demonstrated on a single nanowire level. The highest plasmonic-photonic coupling efficiency coupling was found at small coupling angles and low input frequencies. The frequency dependent propagation loss was observed in Ag nanowire and was confirmed by quantitative measurement and in agreement with theoretical expectations. Rational integration of dielectric and Ag nanowire waveguide components into hybrid optical-plasmonic routing devices has been demonstrated. This capability is essential for incorporating sub-100nm Ag nanowire waveguides into optical fiber based nanoprobes for single cell endoscopy. The nanoprobe system based on single nanowire waveguides was demonstrated by optically coupling semiconductor or metal nanowire with an optical fiber with tapered tip. This nanoprobe design requires minimal instrumentation which makes it cost efficient and readily

  6. Single event AC - DC electrospraying

    NASA Astrophysics Data System (ADS)

    Stachewicz, U.; Dijksman, J. F.; Marijnissen, J. C. M.

    2008-12-01

    Electrospraying is an innovative method to deposit very small amounts of, for example, biofluids (far less than 1 p1) that include DNA or protein molecules. An electric potential is applied between a nozzle filled with liquid and a counter electrode placed at 1-2 millimeter distance from the nozzle. In our set-up we use an AC field superposed on a DC field to control the droplet generation process. Our approach is to create single events of electrospraying triggered by one single AC pulse. During this pulse, the equilibrium meniscus (determined by surface tension, static pressure and the DC field) of the liquid changes rapidly into a cone and subsequently into a jet formed at the cone apex. Next, the jet breaks-up into fine droplets and the spraying stops. The meniscus returns to its equilibrium shape again. So far we obtained a stable and reproducible single event process for ethanol and ethylene glycol with water using glass pipettes. The results will be used to generate droplets on demand in a controlled way and deposit them on a pre-defined place on the substrate.

  7. Adoption and Single Parents: A Review.

    ERIC Educational Resources Information Center

    Groze, Vic

    1991-01-01

    Examines the literature about people who choose to become single adoptive parents. Reviews the demographic and personal characteristics of single parents who adopt, and summarizes the experiences of single parents with the children they adopt. Calls for further research on single parents who adopt special needs children. (GH)

  8. Investigation of the magnetic properties in double perovskite R2CoMnO6 single crystals (R  =  rare earth: La to Lu).

    PubMed

    Kim, M K; Moon, J Y; Choi, H Y; Oh, S H; Lee, N; Choi, Y J

    2015-10-28

    We have successfully synthesized the series of the double-perovskite R2CoMnO6 (R  =  rare earth: La to Lu) single crystals and have investigated their magnetic properties. The ferromagnetic order of Co(2+)/Mn(4+) spins emerges mainly along the c axis. Upon decreasing the size of rare earth ion, the magnetic transition temperature decreases linearly from 204 K for La2CoMnO6 to 48 K for Lu2CoMnO6, along with the enhancement of monoclinic distortion. The temperature and magnetic-field dependences of magnetization reveal the various magnetic characteristics such as the metamagnetic transition in R  =  Eu, the isotropic nature of rare earth moment in R  =  Gd, and the reversal of magnetic anisotropy in R  =  Tb and Dy. Our results offer comprehensive information for understanding the roles of mixed-valent magnetic ions and rare earth magnetic moments on the magnetic properties. PMID:26442994

  9. Cation distribution in a Fe-bearing K-feldspar from Itrongay,Madagascar. A combined neutron- and X-ray single crystal diffractionstudy

    SciTech Connect

    Ackermann, Sonia; Kunz, Martin; Armbruster, Thomas; Schefer,Jurg; Hanni, Henry

    2005-05-02

    We determined the cation distribution and ordering of Si, Al and Fe on the tetrahedral sites of a monoclinic low-sanidine from Itrongay, Madagascar, by combined neutron- and X-ray single-crystal diffraction. The cation distribution was determined by means of a simultaneous refinement using neutron- and X-ray data, as well as by combining scattering densities obtained from separate refinements with chemical data from a microprobe experiment. The two methods give the same results and show that Fe is fully ordered on T1, whereas Al shows a high degree of disorder. Based on this and previously published temperature-dependent X-ray data, we conclude that it is preferential ordering of Fe on T1 even at high temperature, rather than a high diffusion kinetics of Fe, which causes this asymmetry in ordering behavior between Al and Fe. The preferential ordering of Fe3+ relative to Al3+ in T1 is consistent with its 25 percent larger ionic radius.

  10. Synthesis, characterization and anti-microbial activity of pure, Cu2+ and Cd2+ doped organic NLO l-arginine trifluoroacetate single crystals

    NASA Astrophysics Data System (ADS)

    Prasanyaa, T.; Haris, M.; Jayaramakrishnan, V.; Amgalan, M.; Mathivanan, V.

    2013-10-01

    Optically transparent Cu2+ and Cd2+ doped l-arginine trifluoroacetate (LATF) single crystals were grown from its aqueous solution using the slow solvent evaporation technique. The grown crystals were characterized by powder x-ray diffraction to confirm the monoclinic crystal structure. The percentage of transmittance measured using the ultraviolet-visible-near infrared spectrophotometer was found to be more than 80% for doped crystals. The functional group analysis of the grown crystals has been made by Fourier transform infrared spectroscopy. Thermogravimetric/differential thermal analysis was performed for the grown crystals. An atomic absorption study was carried out to determine the presence of Cu2+ and Cd2+. The hardness of the grown crystals was assessed and the results show a significant variation in the hardness value between the pure and doped LATF crystals. The second harmonic generation measurements show that Cu2+ doped LATF is 2.8 times greater and Cd2+ doped is 2.6 times greater than KDP. The anti-bacterial and anti-fungal activities of the title compound were performed using the disc diffusion method against standard bacteria Escherichia coli, Xanthomonas oryzae and against the fungus Aspergillus niger and Aspergillus flavus.

  11. Synthesis and spectroscopic characterization of cobalt(III)-alkyl amine complexes showing surface affinity: Single crystal X-ray structure determinations

    NASA Astrophysics Data System (ADS)

    Anbalagan, K.; Maharaja Mahalakshmi, C.; Ganeshraja, A. S.

    2011-11-01

    Structurally integrated cobalt(III) complexes showing interesting surface affinity in the interfacial electron transfer reactions were synthesized by incorporating alkyl amines into the coordination sphere of cis-[Co III(en) 2(RNH 2)Cl]Cl 2; (where RNH 2 = MeNH 2 ( 1), EtNH 2 ( 2), Pr nNH 2 ( 3), Bu nNH 2 ( 4), Bu iNH 2 ( 5), Pen nNH 2 ( 6), Hex nNH 2 ( 7) and BzNH 2 ( 8)) through a modified synthetic route. Such complexes are playing important role as electron acceptors in the interfacial electron transfer reactions taking place between metal complex and nanosized semiconductor particles in energy conversion schemes. The complexes were characterized by spectral, 1H NMR and 13C NMR techniques, which indicate the 1,2-diamino ethane site angles are closely similar forming five membered gauche configuration. Single crystal X-ray refinements were made to explore the structures of five complexes ( 2)-( 5) and ( 7). The complexes under study crystallize either in monoclinic or orthorhombic structure and the space consists; ( 2) P2 1/ n, ( 3) P2 12 12 1, ( 4) Pbca, ( 5) P2 1 and (7) P2 1/ n. The Co(III) ion does not have an electronic preference, however, the structures reflect the conformational preference of RNH 2 ligand.

  12. Characterization and ab initio XRPD structure determination of a novel silicate with Vierer single chains: the crystal structure of NaYSi2O6.

    PubMed

    Többens, Daniel M; Kahlenberg, Volker; Kaindl, Reinhard

    2005-12-12

    The crystal structure of a sodium yttrium silicate with composition NaYSi2O6 has been determined from laboratory X-ray powder diffraction data by simulated annealing, and has been subsequently refined with the Rietveld technique. The compound is monoclinic with space group P2(1)/c and unit cell parameters of a=5.40787(2) A, b=13.69784(5) A, c=7.58431(3) A, and beta=109.9140(3) degrees at 23.5 degrees C (Z=4). The structure was found to be a single-chain silicate with a chain periodicity of four. The two symmetry dependent [Si4O12] chains in the unit cell are parallel to c. A prominent feature is the strong folding of the crankshaft-like chains within the b,c-plane resulting in intrachain Si-Si-Si angles close to 90 degrees. The coordination of the Y3+ ions by O2- is 7-fold in the form of slightly irregular pentagonal bipyramids, with oxygen atoms from four different chains contributing to the coordination polyhedron. Na+ ions are irregularly coordinated by 10 oxygens from two neighboring chains. No disorder of Na+ and Y3+ between the two nontetrahedral cation sites could be observed. Furthermore, micro-Raman spectra have been obtained from the polycrystalline material. PMID:16323944

  13. Highly Ordered Single Crystalline Nanowire Array Assembled Three-Dimensional Nb3O7(OH) and Nb2O5 Superstructures for Energy Storage and Conversion Applications.

    PubMed

    Zhang, Haimin; Wang, Yun; Liu, Porun; Chou, Shu Lei; Wang, Jia Zhao; Liu, Hongwei; Wang, Guozhong; Zhao, Huijun

    2016-01-26

    Three-dimensional (3D) metal oxide superstructures have demonstrated great potentials for structure-dependent energy storage and conversion applications. Here, we reported a facile hydrothermal method for direct growth of highly ordered single crystalline nanowire array assembled 3D orthorhombic Nb3O7(OH) superstructures and their subsequent thermal transformation into monoclinic Nb2O5 with well preserved 3D nanowire superstructures. The performance of resultant 3D Nb3O7(OH) and Nb2O5 superstructures differed remarkably when used for energy conversion and storage applications. The thermally converted Nb2O5 superstructures as anode material of lithium-ion batteries (LiBs) showed higher capacity and excellent cycling stability compared to the Nb3O7(OH) superstructures, while directly hydrothermal grown Nb3O7(OH) nanowire superstructure film on FTO substrate as photoanode of dye-sensitized solar cells (DSSCs) without the need for further calcination exhibited an overall light conversion efficiency of 6.38%, higher than that (5.87%) of DSSCs made from the thermally converted Nb2O5 film. The high energy application performance of the niobium-based nanowire superstructures with different chemical compositions can be attributed to their large surface area, superior electron transport property, and high light utilization efficiency resulting from a 3D superstructure, high crystallinity, and large sizes. The formation process of 3D nanowire superstructures before and after thermal treatment was investigated and discussed based on our theoretical and experimental results. PMID:26579783

  14. Synthesis, spectral, stereochemical, single crystal XRD and biological studies of 3t-pentyl-2r,6c-diarylpiperidin-4-one picrate derivatives

    NASA Astrophysics Data System (ADS)

    Savithiri, S.; Arockia doss, M.; Rajarajan, G.; Thanikachalam, V.

    2014-10-01

    Various substituted 3t-pentyl-2r,6c-diphenylpiperidin-4-one picrates (1-7) were synthesised and characterised by elemental analysis, FT-IR and NMR spectral studies. NMR spectral assignments were made unambiguously by their one dimensional (1H NMR and 13C NMR) and two dimensional (1H-1H COSY, HSQC, HMBC, NOESY, DEPT) NMR spectra. Single crystal XRD analysis of the compound (1) has confirmed that the complex crystallized in monoclinic system with P21/n space group. The difference in the chemical shifts between equatorial methylene proton and axial proton at C(5) [Δ = δeq - δax] is highly negative in compounds 1-7 in contrast to the value observed for the corresponding parent piperidine-4-one and is indicative of the 1,3-diaxial interaction between the axial NH bond and axial hydrogen at C(5). The chemical shifts of the heterocyclic ring protons are influenced by the picrate anion. All the synthesised compounds exhibited good activity against S. aureus-Staphylococcus aureus bacterial strains and C. albicans fungal strains.

  15. Single phase space laundry development

    NASA Technical Reports Server (NTRS)

    Colombo, Gerald V.; Putnam, David F.; Lunsford, Teddie D.; Streech, Neil D.; Wheeler, Richard R., Jr.; Reimers, Harold

    1993-01-01

    This paper describes a newly designed, 2.7 Kg (6 pound) capacity, laundry machine called the Single Phase Laundry (SPSL). The machine was designed to wash and dry crew clothing in a micro-gravity environment. A prototype unit was fabricated for NASA-JSC under a Small Business Innovated Research (SBIR) contract extending from September 1990 to January 1993. The unit employs liquid jet agitation, microwave vacuum drying, and air jet tumbling, which was perfected by KC-135 zero-g flight testing. Operation is completely automated except for loading and unloading clothes. The unit uses about 20 percent less power than a conventional household appliance.

  16. Trapping Single Molecules by Dielectrophoresis

    NASA Astrophysics Data System (ADS)

    Hölzel, Ralph; Calander, Nils; Chiragwandi, Zackary; Willander, Magnus; Bier, Frank F.

    2005-09-01

    We have trapped single protein molecules of R-phycoerythrin in an aqueous solution by an alternating electric field. A radio frequency voltage is applied to sharp nanoelectrodes and hence produces a strong electric field gradient. The resulting dielectrophoretic forces attract freely diffusing protein molecules. Trapping takes place at the electrode tips. Switching off the field immediately releases the molecules. The electric field distribution is computed, and from this the dielectrophoretic response of the molecules is calculated using a standard polarization model. The resulting forces are compared to the impact of Brownian motion. Finally, we discuss the experimental observations on the basis of the model calculations.

  17. Single crystalline mesoporous silicon nanowires

    SciTech Connect

    Hochbaum, Allon; Dargas, Daniel; Hwang, Yun Jeong; Yang, Peidong

    2009-08-18

    Herein we demonstrate a novel electroless etching synthesis of monolithic, single-crystalline, mesoporous silicon nanowire arrays with a high surface area and luminescent properties consistent with conventional porous silicon materials. The photoluminescence of these nanowires suggest they are composed of crystalline silicon with small enough dimensions such that these arrays may be useful as photocatalytic substrates or active components of nanoscale optoelectronic devices. A better understanding of this electroless route to mesoporous silicon could lead to facile and general syntheses of different narrow bandgap semiconductor nanostructures for various applications.

  18. Single Bacterium Detection Using Sers

    NASA Astrophysics Data System (ADS)

    Gonchukov, S. A.; Baikova, T. V.; Alushin, M. V.; Svistunova, T. S.; Minaeva, S. A.; Ionin, A. A.; Kudryashov, S. I.; Saraeva, I. N.; Zayarny, D. A.

    2016-02-01

    This work is devoted to the study of a single Staphylococcus aureus bacterium detection using surface-enhanced Raman spectroscopy (SERS) and resonant Raman spectroscopy (RS). It was shown that SERS allows increasing sensitivity of predominantly low frequency lines connected with the vibrations of Amide, Proteins and DNA. At the same time the lines of carotenoids inherent to this kind of bacterium are well-detected due to the resonance Raman scattering mechanism. The reproducibility and stability of Raman spectra strongly depend on the characteristics of nanostructured substrate, and molecular structure and size of the tested biological object.

  19. Single electron states in polyethylene

    SciTech Connect

    Wang, Y.; MacKernan, D.; Cubero, D. E-mail: n.quirke@imperial.ac.uk; Coker, D. F.; Quirke, N. E-mail: n.quirke@imperial.ac.uk

    2014-04-21

    We report computer simulations of an excess electron in various structural motifs of polyethylene at room temperature, including lamellar and interfacial regions between amorphous and lamellae, as well as nanometre-sized voids. Electronic properties such as density of states, mobility edges, and mobilities are computed on the different phases using a block Lanczos algorithm. Our results suggest that the electronic density of states for a heterogeneous material can be approximated by summing the single phase density of states weighted by their corresponding volume fractions. Additionally, a quantitative connection between the localized states of the excess electron and the local atomic structure is presented.

  20. SINGLE HEATER TEST FINAL REPORT

    SciTech Connect

    J.B. Cho

    1999-05-01

    The Single Heater Test is the first of the in-situ thermal tests conducted by the U.S. Department of Energy as part of its program of characterizing Yucca Mountain in Nevada as the potential site for a proposed deep geologic repository for the disposal of spent nuclear fuel and high-level nuclear waste. The Site Characterization Plan (DOE 1988) contained an extensive plan of in-situ thermal tests aimed at understanding specific aspects of the response of the local rock-mass around the potential repository to the heat from the radioactive decay of the emplaced waste. With the refocusing of the Site Characterization Plan by the ''Civilian Radioactive Waste Management Program Plan'' (DOE 1994), a consolidated thermal testing program emerged by 1995 as documented in the reports ''In-Situ Thermal Testing Program Strategy'' (DOE 1995) and ''Updated In-Situ Thermal Testing Program Strategy'' (CRWMS M&O 1997a). The concept of the Single Heater Test took shape in the summer of 1995 and detailed planning and design of the test started with the beginning fiscal year 1996. The overall objective of the Single Heater Test was to gain an understanding of the coupled thermal, mechanical, hydrological, and chemical processes that are anticipated to occur in the local rock-mass in the potential repository as a result of heat from radioactive decay of the emplaced waste. This included making a priori predictions of the test results using existing models and subsequently refining or modifying the models, on the basis of comparative and interpretive analyses of the measurements and predictions. A second, no less important, objective was to try out, in a full-scale field setting, the various instruments and equipment to be employed in the future on a much larger, more complex, thermal test of longer duration, such as the Drift Scale Test. This ''shake down'' or trial aspect of the Single Heater Test applied not just to the hardware, but also to the teamwork and cooperation between

  1. Magnetic remanence in single atoms.

    PubMed

    Donati, F; Rusponi, S; Stepanow, S; Wäckerlin, C; Singha, A; Persichetti, L; Baltic, R; Diller, K; Patthey, F; Fernandes, E; Dreiser, J; Šljivančanin, Ž; Kummer, K; Nistor, C; Gambardella, P; Brune, H

    2016-04-15

    A permanent magnet retains a substantial fraction of its saturation magnetization in the absence of an external magnetic field. Realizing magnetic remanence in a single atom allows for storing and processing information in the smallest unit of matter. We show that individual holmium (Ho) atoms adsorbed on ultrathin MgO(100) layers on Ag(100) exhibit magnetic remanence up to a temperature of 30 kelvin and a relaxation time of 1500 seconds at 10 kelvin. This extraordinary stability is achieved by the realization of a symmetry-protected magnetic ground state and by decoupling the Ho spin from the underlying metal by a tunnel barrier. PMID:27081065

  2. Single electron states in polyethylene

    NASA Astrophysics Data System (ADS)

    Wang, Y.; MacKernan, D.; Cubero, D.; Coker, D. F.; Quirke, N.

    2014-04-01

    We report computer simulations of an excess electron in various structural motifs of polyethylene at room temperature, including lamellar and interfacial regions between amorphous and lamellae, as well as nanometre-sized voids. Electronic properties such as density of states, mobility edges, and mobilities are computed on the different phases using a block Lanczos algorithm. Our results suggest that the electronic density of states for a heterogeneous material can be approximated by summing the single phase density of states weighted by their corresponding volume fractions. Additionally, a quantitative connection between the localized states of the excess electron and the local atomic structure is presented.

  3. Single-stage Mars mission

    NASA Technical Reports Server (NTRS)

    1991-01-01

    President Bush established a three phase Space Exploration Initiative for the future of space exploration. The first phase is the design and construction of Space Station Freedom. The second phase is permanent lunar base. The last phase of the Initiative is the construction of a Mars outpost. The design presented is the concept of a single-stage Mars mission developed by the University of Minnesota Aerospace Design Course. The mission will last approximately 500 days including a 30-60 day stay on Mars.

  4. Piezoresistivity in single DNA molecules

    PubMed Central

    Bruot, Christopher; Palma, Julio L.; Xiang, Limin; Mujica, Vladimiro; Ratner, Mark A.; Tao, Nongjian

    2015-01-01

    Piezoresistivity is a fundamental property of materials that has found many device applications. Here we report piezoresistivity in double helical DNA molecules. By studying the dependence of molecular conductance and piezoresistivity of single DNA molecules with different sequences and lengths, and performing molecular orbital calculations, we show that the piezoresistivity of DNA is caused by force-induced changes in the π–π electronic coupling between neighbouring bases, and in the activation energy of hole hopping. We describe the results in terms of thermal activated hopping model together with the ladder-based mechanical model for DNA proposed by de Gennes. PMID:26337293

  5. Piezoresistivity in single DNA molecules

    NASA Astrophysics Data System (ADS)

    Bruot, Christopher; Palma, Julio L.; Xiang, Limin; Mujica, Vladimiro; Ratner, Mark A.; Tao, Nongjian

    2015-09-01

    Piezoresistivity is a fundamental property of materials that has found many device applications. Here we report piezoresistivity in double helical DNA molecules. By studying the dependence of molecular conductance and piezoresistivity of single DNA molecules with different sequences and lengths, and performing molecular orbital calculations, we show that the piezoresistivity of DNA is caused by force-induced changes in the π-π electronic coupling between neighbouring bases, and in the activation energy of hole hopping. We describe the results in terms of thermal activated hopping model together with the ladder-based mechanical model for DNA proposed by de Gennes.

  6. Piezoresistivity in single DNA molecules.

    PubMed

    Bruot, Christopher; Palma, Julio L; Xiang, Limin; Mujica, Vladimiro; Ratner, Mark A; Tao, Nongjian

    2015-01-01

    Piezoresistivity is a fundamental property of materials that has found many device applications. Here we report piezoresistivity in double helical DNA molecules. By studying the dependence of molecular conductance and piezoresistivity of single DNA molecules with different sequences and lengths, and performing molecular orbital calculations, we show that the piezoresistivity of DNA is caused by force-induced changes in the π-π electronic coupling between neighbouring bases, and in the activation energy of hole hopping. We describe the results in terms of thermal activated hopping model together with the ladder-based mechanical model for DNA proposed by de Gennes. PMID:26337293

  7. Single neuron dynamics and computation.

    PubMed

    Brunel, Nicolas; Hakim, Vincent; Richardson, Magnus J E

    2014-04-01

    At the single neuron level, information processing involves the transformation of input spike trains into an appropriate output spike train. Building upon the classical view of a neuron as a threshold device, models have been developed in recent years that take into account the diverse electrophysiological make-up of neurons and accurately describe their input-output relations. Here, we review these recent advances and survey the computational roles that they have uncovered for various electrophysiological properties, for dendritic arbor anatomy as well as for short-term synaptic plasticity. PMID:24492069

  8. Magnetic levitation of single cells.

    PubMed

    Durmus, Naside Gozde; Tekin, H Cumhur; Guven, Sinan; Sridhar, Kaushik; Arslan Yildiz, Ahu; Calibasi, Gizem; Ghiran, Ionita; Davis, Ronald W; Steinmetz, Lars M; Demirci, Utkan

    2015-07-14

    Several cellular events cause permanent or transient changes in inherent magnetic and density properties of cells. Characterizing these changes in cell populations is crucial to understand cellular heterogeneity in cancer, immune response, infectious diseases, drug resistance, and evolution. Although magnetic levitation has previously been used for macroscale objects, its use in life sciences has been hindered by the inability to levitate microscale objects and by the toxicity of metal salts previously applied for levitation. Here, we use magnetic levitation principles for biological characterization and monitoring of cells and cellular events. We demonstrate that each cell type (i.e., cancer, blood, bacteria, and yeast) has a characteristic levitation profile, which we distinguish at an unprecedented resolution of 1 × 10(-4) g ⋅ mL(-1). We have identified unique differences in levitation and density blueprints between breast, esophageal, colorectal, and nonsmall cell lung cancer cell lines, as well as heterogeneity within these seemingly homogenous cell populations. Furthermore, we demonstrate that changes in cellular density and levitation profiles can be monitored in real time at single-cell resolution, allowing quantification of heterogeneous temporal responses of each cell to environmental stressors. These data establish density as a powerful biomarker for investigating living systems and their responses. Thereby, our method enables rapid, density-based imaging and profiling of single cells with intriguing applications, such as label-free identification and monitoring of heterogeneous biological changes under various physiological conditions, including antibiotic or cancer treatment in personalized medicine. PMID:26124131

  9. Single Molecule Studies of Chromatin

    SciTech Connect

    Jeans, C; Colvin, M E; Thelen, M P; Noy, A

    2004-01-06

    The DNA in eukaryotic cells is tightly packaged as chromatin through interactions with histone proteins to form nucleosomes. These nucleosomes are themselves packed together through interactions with linker histone and non-histone proteins. In order for processes such as DNA replication, DNA repair, and transcription to occur, the chromatin fiber must be remodeled such that the necessary enzymes can access the DNA. The structure of the chromatin fiber beyond the level of the single nucleosome and the structural changes which accompany the remodeling process are poorly understood. We are studying the structures and forces behind the remodeling process through the use of atomic force microscopy (AFM). This allows both high-resolution imaging of the chromatin, and manipulation of individual fibers. Pulling a single chromatin fiber apart using the AFM tip yields information on the forces which hold the structure together. We have isolated chromatin fibers from chicken erythrocytes and Chinese hamster ovary cell lines. AFM images of these fibers will be presented, along with preliminary data from the manipulation of these fibers using the AFM tip. The implications of these data for the structure of chromatin undergoing the remodeling process are discussed.

  10. Efficiency of single noise barriers

    NASA Astrophysics Data System (ADS)

    Hothersall, D. C.; Chandler-Wilde, S. N.; Hajmirzae, M. N.

    1991-04-01

    A numerical model is described which enables the sound field in the region of outdoor noise barriers to be calculated by using the boundary element method. The non-uniqueness of solution of the method, producing unreliable results in some conditions, is discussed. The model can be applied to barriers of arbitrary cross-sectional shape and arbitrary distribution of surface cover. The model is two-dimensional, but results are shown to agree well with those obtained for the three-dimensional problem of propagation from a point source over a noise barrier of infinite length. The model is used to compare the efficiency of a wide range of constructions of single noise barriers of different height, cross-sectional shape and surface cover. The effects of the ground cover are also considered. Comparison is made by examining spectra of the insertion loss of the barriers, and also broadband insertion losses for a source with a characteristic A-weighted road traffic noise spectrum. Single-figure estimates are presented of the relative efficiency, in terms of insertion loss, in the deep shadow zone, of a wide range of barrier configurations.

  11. Spectral compression of single photons

    NASA Astrophysics Data System (ADS)

    Lavoie, J.; Donohue, J. M.; Wright, L. G.; Fedrizzi, A.; Resch, K. J.

    2013-05-01

    Photons are critical to quantum technologies because they can be used for virtually all quantum information tasks, for example, in quantum metrology, as the information carrier in photonic quantum computation, as a mediator in hybrid systems, and to establish long-distance networks. The physical characteristics of photons in these applications differ drastically; spectral bandwidths span 12 orders of magnitude from 50 THz (ref. 6) for quantum-optical coherence tomography to 50 Hz for certain quantum memories. Combining these technologies requires coherent interfaces that reversibly map centre frequencies and bandwidths of photons to avoid excessive loss. Here, we demonstrate bandwidth compression of single photons by a factor of 40 as well as tunability over a range 70 times that bandwidth via sum-frequency generation with chirped laser pulses. This constitutes a time-to-frequency interface for light capable of converting time-bin to colour entanglement, and enables ultrafast timing measurements. It is a step towards arbitrary waveform generation for single and entangled photons.

  12. Conquering the meredith single axiom.

    SciTech Connect

    Wos, L.; Mathematics and Computer Science

    2001-01-01

    For more than three and one-half decades, beginning in the early 1960s, a heavy emphasis on proof finding has been a key component of the Argonne paradigm, whose use has directly led to significant advances in automated reasoning and important contributions to mathematics and logic. The theorems studied range from the trivial to the deep, even including some that corresponded to open questions. Often the paradigm asks for a theorem whose proof is in hand but that cannot be obtained in a fully automated manner by the program in use. The theorem whose hypothesis consists solely of the Meredith single axiom for two-valued sentential (or propositional) calculus and whose conclusion is the Lukasiewicz three-axiom system for that area of formal logic was just such a theorem. Featured in this article is the methodology that enabled the program OTTER to find the first fully automated proof of the cited theorem, a proof with the intriguing property that none of its steps contains a term of the form n(n(t)) for any term t. As evidence of the power of the new methodology, the article also discusses OTTER's success in obtaining the first known proof of a theorem concerning a single axiom of Lukasiewicz.

  13. Magnetic levitation of single cells

    PubMed Central

    Durmus, Naside Gozde; Tekin, H. Cumhur; Guven, Sinan; Sridhar, Kaushik; Arslan Yildiz, Ahu; Calibasi, Gizem; Davis, Ronald W.; Steinmetz, Lars M.; Demirci, Utkan

    2015-01-01

    Several cellular events cause permanent or transient changes in inherent magnetic and density properties of cells. Characterizing these changes in cell populations is crucial to understand cellular heterogeneity in cancer, immune response, infectious diseases, drug resistance, and evolution. Although magnetic levitation has previously been used for macroscale objects, its use in life sciences has been hindered by the inability to levitate microscale objects and by the toxicity of metal salts previously applied for levitation. Here, we use magnetic levitation principles for biological characterization and monitoring of cells and cellular events. We demonstrate that each cell type (i.e., cancer, blood, bacteria, and yeast) has a characteristic levitation profile, which we distinguish at an unprecedented resolution of 1 × 10−4 g⋅mL−1. We have identified unique differences in levitation and density blueprints between breast, esophageal, colorectal, and nonsmall cell lung cancer cell lines, as well as heterogeneity within these seemingly homogenous cell populations. Furthermore, we demonstrate that changes in cellular density and levitation profiles can be monitored in real time at single-cell resolution, allowing quantification of heterogeneous temporal responses of each cell to environmental stressors. These data establish density as a powerful biomarker for investigating living systems and their responses. Thereby, our method enables rapid, density-based imaging and profiling of single cells with intriguing applications, such as label-free identification and monitoring of heterogeneous biological changes under various physiological conditions, including antibiotic or cancer treatment in personalized medicine. PMID:26124131

  14. Biomechanics of Single Cortical Neurons

    PubMed Central

    Bernick, Kristin B.; Prevost, Thibault P.; Suresh, Subra; Socrate, Simona

    2011-01-01

    This study presents experimental results and computational analysis of the large strain dynamic behavior of single neurons in vitro with the objective of formulating a novel quantitative framework for the biomechanics of cortical neurons. Relying on the atomic force microscopy (AFM) technique, novel testing protocols are developed to enable the characterization of neural soma deformability over a range of indentation rates spanning three orders of magnitude – 10, 1, and 0.1 μm/s. Modified spherical AFM probes were utilized to compress the cell bodies of neonatal rat cortical neurons in load, unload, reload and relaxation conditions. The cell response showed marked hysteretic features, strong non-linearities, and substantial time/rate dependencies. The rheological data were complemented with geometrical measurements of cell body morphology, i.e. cross-diameter and height estimates. A constitutive model, validated by the present experiments, is proposed to quantify the mechanical behavior of cortical neurons. The model aimed to correlate empirical findings with measurable degrees of (hyper-) elastic resilience and viscosity at the cell level. The proposed formulation, predicated upon previous constitutive model developments undertaken at the cortical tissue level, was implemented into a three-dimensional finite element framework. The simulated cell response was calibrated to the experimental measurements under the selected test conditions, providing a novel single cell model that could form the basis for further refinements. PMID:20971217

  15. Airborne chemistry single cell level

    NASA Astrophysics Data System (ADS)

    Nilsson, Staffan; Viberg, Peter; Spegel, Peter; Santesson, Sabina; Cedergren, Eila; Degerman, Eva; Johansson, Tomas; Nilsson, Johan

    2002-11-01

    A miniaturized analysis system for the studying of living cells and biochemical reactions in microdrops was developed. Cell studies were performed using single adipocytes in 250-nL drops. Continuous flow-through droplet dispensers, developed in-house, were used for additions to the levitated droplet. Addition of b-adrenergic agonists stimulates the lipolysis in the adipocytes, leading to free fatty acid release and a consequent pH decrease of the surrounding buffer, a change that can be easily followed using a pH-dependent fluorophore continuously monitored by fluorescence imaging detection. An analytical method using capillary electrophoresis and nanospray mass spectrometry for measurement of the cAMP level in activated single adipocytes are now being developed for future use in combination with the levitation technique. The levitation approach was also employed for the screening of nucleation conditions for macromolecules. Here, the acoustic levitator offers a simplified way to determine the main features of the phase diagram (i.e., precipitation diagram). Using the droplet dispensers, different types and amounts of precipitation agents are injected into the levitated drop, allowing a systematic search for nucleation conditions that is not possible using standard crystallization methods. Once the precipitation diagram has been obtained, optimization using standard methods is employed to grow the crystals.

  16. A single pass electron accelerator

    NASA Astrophysics Data System (ADS)

    Schuetz, Marlin N.; Vroom, David A.

    1995-02-01

    Higher volumes, increasing competition and the need to improve quality have led us to re-examine the process for irradiation of tubing and wire. Traditionallyin Raychem, product irradiation has involved the use of large multi-purpose facilities that were designed to handle relatively small volumes of a large variety of products as a separate process. Today, with larger volumes of certain products, there is an interest in combining processes to improve quality and reduce cost. We have recently designed and constructed a small, low voltage accelerator system that can be placed in-line with another manufacturing process and can uniformly irradiate a tube or wire product in a single pass. The system is comprised of two conventional accelerator systems having elongated filaments and placed on opposite sides of a linear product path. The ribbon shaped electron beams from these two accelerators are scanned, after acceleration toward the product path, in a conventional manner and 180 degrees out of phase from each other. The two accelerated electron beams then enter a third magnetic field that is synchronous with the scanning magnets and whose oscillating polarity is such that the ribbon beams are converged onto a tubular shaped window close to and around a segment of the product path. Trials with a prototype system have produced tubing having a dose concentricity of better than ± 10 percent on a single pass through the system.

  17. Magnetotransport of single crystalline YSb.

    PubMed

    Ghimire, N J; Botana, A S; Phelan, D; Zheng, H; Mitchell, J F

    2016-06-15

    We report magnetic field dependent transport measurements on a single crystal of cubic YSb together with first principles calculations of its electronic structure. The transverse magnetoresistance does not saturate up to 9 T and attains a value of 75 000% at 1.8 K. The Hall coefficient is electron-like at high temperature, changes sign to hole-like between 110 and 50 K, and again becomes electron-like below 50 K. First principles calculations show that YSb is a compensated semimetal with a qualitatively similar electronic structure to that of isostructural LaSb and LaBi, but with larger Fermi surface volume. The measured electron carrier density and Hall mobility calculated at 1.8 K, based on a single band approximation, are [Formula: see text] cm(-3) and [Formula: see text] cm(2) Vs(-1), respectively. These values are comparable with those reported for LaBi and LaSb. Like LaBi and LaSb, YSb undergoes a magnetic field-induced metal-insulator-like transition below a characteristic temperature T m, with resistivity saturation below 13 K. Thickness dependent electrical resistance measurements show a deviation of the resistance behavior from that expected for a normal metal; however, they do not unambiguously establish surface conduction as the mechanism for the resistivity plateau. PMID:27160492

  18. Magnetotransport of single crystalline YSb

    NASA Astrophysics Data System (ADS)

    Ghimire, N. J.; Botana, A. S.; Phelan, D.; Zheng, H.; Mitchell, J. F.

    2016-06-01

    We report magnetic field dependent transport measurements on a single crystal of cubic YSb together with first principles calculations of its electronic structure. The transverse magnetoresistance does not saturate up to 9 T and attains a value of 75 000% at 1.8 K. The Hall coefficient is electron-like at high temperature, changes sign to hole-like between 110 and 50 K, and again becomes electron-like below 50 K. First principles calculations show that YSb is a compensated semimetal with a qualitatively similar electronic structure to that of isostructural LaSb and LaBi, but with larger Fermi surface volume. The measured electron carrier density and Hall mobility calculated at 1.8 K, based on a single band approximation, are 6.5× {{10}20} cm‑3 and 6.2× {{10}4} cm2 Vs‑1, respectively. These values are comparable with those reported for LaBi and LaSb. Like LaBi and LaSb, YSb undergoes a magnetic field-induced metal-insulator-like transition below a characteristic temperature T m, with resistivity saturation below 13 K. Thickness dependent electrical resistance measurements show a deviation of the resistance behavior from that expected for a normal metal; however, they do not unambiguously establish surface conduction as the mechanism for the resistivity plateau.

  19. Single Spin Asymmetries from a Single Wilson Loop

    NASA Astrophysics Data System (ADS)

    Boer, Daniël; Echevarria, Miguel G.; Mulders, Piet J.; Zhou, Jian

    2016-03-01

    We study the leading-power gluon transverse-momentum-dependent distributions (TMDs) of relevance to the study of asymmetries in the scattering off transversely polarized hadrons. Next-to-leading-order perturbative calculations of these TMDs show that at large transverse momentum they have common dynamical origins but that in the limit of a small longitudinal momentum fraction x , only one origin remains. We find that in this limit, only the dipole-type gluon TMDs survive and become identical to each other. At small x , they are all given by the expectation value of a single Wilson loop inside the transversely polarized hadron, the so-called spin-dependent odderon. This universal origin of transverse spin asymmetries at small x is of importance to current and future experimental studies, paving the way to a better understanding of the role of gluons in the three-dimensional structure of spin-polarized protons.

  20. Single Spin Asymmetries from a Single Wilson Loop.

    PubMed

    Boer, Daniël; Echevarria, Miguel G; Mulders, Piet J; Zhou, Jian

    2016-03-25

    We study the leading-power gluon transverse-momentum-dependent distributions (TMDs) of relevance to the study of asymmetries in the scattering off transversely polarized hadrons. Next-to-leading-order perturbative calculations of these TMDs show that at large transverse momentum they have common dynamical origins but that in the limit of a small longitudinal momentum fraction x, only one origin remains. We find that in this limit, only the dipole-type gluon TMDs survive and become identical to each other. At small x, they are all given by the expectation value of a single Wilson loop inside the transversely polarized hadron, the so-called spin-dependent odderon. This universal origin of transverse spin asymmetries at small x is of importance to current and future experimental studies, paving the way to a better understanding of the role of gluons in the three-dimensional structure of spin-polarized protons. PMID:27058070

  1. Disorder in KHCO3 as studied by EPR and DTA in Cu2+ doped and gamma-irradiated single crystals

    NASA Astrophysics Data System (ADS)

    Koksal, F.; Karabulut, B.; Demir, D.; Icbudak, H.; Koseoglu, R.

    2005-08-01

    Kalicinite (KHCO3) single crystals were investigated by the electron paramagnetric resonance (EPR) technique in their Cu2+ doped and gamma- irradiated states. It is observed that the behavior of the spectrum is the same at ambient and low temperatures down to 113 K in consistence with the monoclinic symmetry of the crystal. However, when the temperature is increased to 313 K, only one site signals were observed at all orientations of the magnetic field for the Cu2+ doped samples as the site splitted signals overlap at this temperature. Furthermore, for the gamma-irradiated crystals, two sites were observed for the induced H(C)over dot O-3 and (C)over dot O-2(-) radicals at ambient temperature for an arbitrary orientation of the magnetic field. However, when the temperature is increased to 348 K, the signals due to the H(C)over dot O-3 radical overlap indicating only one site, but the signals due to (C)over dot O-2(-) the radical do not and continue to indicate the presence of the two sites. Therefore, we conclude that this one site transition at 313 K is due to the disordering of the proton vacancies, as the charge compensation of Cu2+ is fulfilled by K+ and proton holes. This indicates that the proton vacancies come to disorder at 313 K and the protons get disordered at 348 K. The differential thermal analysis results show two small endothermic peaks for the Cu2+ doped and gamma-irradiated samples at 313 and 348 K that were attributed to the disorder of the proton vacancies and protons, in consistency with the EPR results.

  2. Synthesis, structure, growth and characterization of a novel organic NLO single crystal: Morpholin-4-ium p-aminobenzoate

    SciTech Connect

    Shanmugam, G.; Ravi Kumar, K.; Sridhar, B.; Brahadeeswaran, S.

    2012-09-15

    Highlights: ► A new organic NLO crystal morpholin-4-ium p-aminobenzoate has been grown for the first time. ► The structure is reported for the first time in the literature. ► Thermal, optical and SHG studies suggest its suitability for various NLO applications. -- Abstract: The title compound, morpholin-4-ium p-aminobenzoate (MPABA)(C{sub 4}H{sub 10}NO{sup +},C{sub 7}H{sub 6}NO{sub 2}{sup −}), has been synthesized for the first time by the addition of morpholine with 4-aminobenzoic acid in equi-molar ratio and good quality single crystals have been grown by solution growth technique using methanol as a solvent. The molecular structure of the compound was solved and refined by Direct Methods using SHELXS97 and full-matrix least-squares technique using SHELXL97, respectively. MPABA crystallizes in a monoclinic system with unit cell parameters, a = 5.948(5) Å, b = 18.033(4) Å, c = 10.577(5) Å, β = 90.40(1)° and non-centrosymmetric space group Cc. The experimentally measured density and chemical compositions were found to be in good agreement with the theoretical values. The phases and functional groups of MPABA have been identified and confirmed through powder X-ray diffraction and Fourier transform infrared (FTIR) studies, respectively. The thermal stability and decomposition details were studied through TG/DTA thermograms. The UV–visible transmission spectra were recorded for the grown crystal and its NLO characteristic was explored by powder second harmonic generation (SHG) studies.

  3. 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. PMID:24055927

  4. Single-scale natural SUSY

    NASA Astrophysics Data System (ADS)

    Randall, Lisa; Reece, Matthew

    2013-08-01

    We consider the prospects for natural SUSY models consistent with current data. Recent constraints make the standard paradigm unnatural so we consider what could be a minimal extension consistent with what we now know. The most promising such scenarios extend the MSSM with new tree-level Higgs interactions that can lift its mass to at least 125 GeV and also allow for flavor-dependent soft terms so that the third generation squarks are lighter than current bounds on the first and second generation squarks. We argue that a common feature of almost all such models is the need for a new scale near 10 TeV, such as a scale of Higgsing or confinement of a new gauge group. We consider the question whether such a model can naturally derive from a single mass scale associated with supersymmetry breaking. Most such models simply postulate new scales, leaving their proximity to the scale of MSSM soft terms a mystery. This coincidence problem may be thought of as a mild tuning, analogous to the usual μ problem. We find that a single mass scale origin is challenging, but suggest that a more natural origin for such a new dynamical scale is the gravitino mass, m 3/2, in theories where the MSSM soft terms are a loop factor below m 3/2. As an example, we build a variant of the NMSSM where the singlet S is composite, and the strong dynamics leading to compositeness is triggered by masses of order m 3/2 for some fields. Our focus is the Higgs sector, but our model is compatible with a light stop (either with the first and second generation squarks heavy, or with R-parity violation or another mechanism to hide them from current searches). All the interesting low-energy mass scales, including linear terms for S playing a key role in EWSB, arise dynamically from the single scale m 3/2. However, numerical coefficients from RG effects and wavefunction factors in an extra dimension complicate the otherwise simple story.

  5. Temperature and electric-field induced phase transitions, and full tensor properties of [011]C-poled domain-engineered tetragonal 0.63Pb(Mg1/3Nb2/3)-0.37PbTiO3 single crystals

    PubMed Central

    Zheng, Limei; Jing, Yujia; Lu, Xiaoyan; Wang, Ruixue; Liu, Gang; Lü, Weiming; Zhang, Rui; Cao, Wenwu

    2016-01-01

    The phase-transition sequence of 0.67Pb(Mg1/3Nb2/3)−0.37PbTiO3 (PMN-0.37PT) single crystals driven by the electric (E) field and temperature is comprehensively studied. Based on the strain-E field loop, polarization-E field loop, and the evolution of domain configurations, the E field along the [011]C induced phase transitions have been confirmed to be as follows: tetragonal (T) → monoclinic (MC) → single domain orthorhombic (O) phase. As the E field decreases, the induced O phase cannot be maintained and transformed to the MC phase, then to the coexistence state of MC and T phases. In addition, the complete sets of dielectric, piezoelectric, and elastic constants for the [011]C-poled domain-engineered PMN-0.37PT single crystal were measured at room temperature, which show high longitudinal dielectric, piezoelectric, and electromechanical properties (ε33T=10 661, d33 = 1052 pC/N, and k33 = 0.766). Our results revealed that the MC phase plays an important role in the high electromechanical properties of this domain-engineered single crystal. The temperature dependence of the domain configuration revealed that the volume fraction of the MC phase decreases with temperature accompanied by the reduction of ε33T, d31, and k31 due to the substantially smaller intrinsic properties of the T phase.

  6. Temperature and electric-field induced phase transitions, and full tensor properties of [011] C-poled domain-engineered tetragonal 0 .63 Pb (M g1 /3N b2 /3) -0 .37 PbTi O3 single crystals

    NASA Astrophysics Data System (ADS)

    Zheng, Limei; Jing, Yujia; Lu, Xiaoyan; Wang, Ruixue; Liu, Gang; Lü, Weiming; Zhang, Rui; Cao, Wenwu

    2016-03-01

    The phase-transition sequence of 0.67 Pb (M g1 /3N b2 /3)- 0.37 PbTi O3 (PMN-0.37PT) single crystals driven by the electric (E ) field and temperature is comprehensively studied. Based on the strain-E field loop, polarization-E field loop, and the evolution of domain configurations, the E field along the [011] C induced phase transitions have been confirmed to be as follows: tetragonal (T ) → monoclinic (MC)→ single domain orthorhombic (O ) phase. As the E field decreases, the induced O phase cannot be maintained and transformed to the MC phase, then to the coexistence state of MC and T phases. In addition, the complete sets of dielectric, piezoelectric, and elastic constants for the [011] C-poled domain-engineered PMN-0.37PT single crystal were measured at room temperature, which show high longitudinal dielectric, piezoelectric, and electromechanical properties (ɛ33T=10 661 ,d33=1052 pC /N , and k33= 0.766 ). Our results revealed that the MC phase plays an important role in the high electromechanical properties of this domain-engineered single crystal. The temperature dependence of the domain configuration revealed that the volume fraction of the MC phase decreases with temperature accompanied by the reduction of ɛ33T,d31, and k31 due to the substantially smaller intrinsic properties of the T phase.

  7. Single expansion ramp nozzle simulations

    NASA Technical Reports Server (NTRS)

    Ruffin, Stephen M.; Venkatapathy, Ethiraj; Lee, Seung-Ho; Keener, Earl R.; Spaid, Frank W.

    1992-01-01

    The single-expansion-ramp-nozzle (SERN) experiment underway at NASA Ames Research Center simulates the National Aerospace Plane propulsive jet-plume flow. Recently, limited experimental data has become available from an experiment with a generic nozzle/afterbody model in a hypersonic wind tunnel. The present paper presents full three-dimensional solutions obtained with the implicit Navier-Stokes solver, FL3D, for the baseline model and a version of the model with side extensions. Analysis of the computed flow clearly shows the complex 3-D nature of the flow, critical flow features, and the effect of side extensions on the plume flow development. Flow schematics appropriate for the conditions tested are presented for the baseline model and the model with side extensions. The computed results show excellent agreement with experimental shadowgraph and with surface pressure measurements. The computed and experimental surface oil-flows show the same features but may be improved by appropriate turbulence modeling.

  8. Single-cell biological lasers

    NASA Astrophysics Data System (ADS)

    Gather, Malte C.; Yun, Seok Hyun

    2011-07-01

    Since their invention some 50 years ago, lasers have made a tremendous impact on modern science and technology. Nevertheless, lasing has so far relied on artificial or engineered optical gain materials, such as doped crystals, semiconductors, synthetic dyes and purified gases. Here, we show that fluorescent proteins in cells are a viable gain medium for optical amplification, and report the first successful realization of biological cell lasers based on green fluorescent protein (GFP). We demonstrate in vitro protein lasers using recombinant GFP solutions and introduce a laser based on single live cells expressing GFP. On optical pumping with nanojoule/nanosecond pulses, individual cells in a high-Q microcavity produce bright, directional and narrowband laser emission, with characteristic longitudinal and transverse modes. Lasing cells remained alive even after prolonged lasing action. Light amplification and lasing from and within biological systems pave the way to new forms of intracellular sensing, cytometry and imaging.

  9. Single-bunch kicker pulser

    SciTech Connect

    Frey, W.W.

    1983-01-01

    The single-bunch kicker magnet is powered by a capacitor discharge pulser. The ferrite-core magnet is used to kick out one of twelve proton bunches circulating in the AGS (Alternating Gradient Synchrotron) into the experimental area. The magnet current pulse has a half-sinusoid shape, with a peak current of 2800 A. The pulse current rises and falls to zero, with minimum undershoot, in 410 nsec to minimize effects on adjacent bunches. The magnet inductance is 1.0 ..mu..Hy. The pulser is mounted on the kicker magnet in the AGS ring, and is exposed to ionizing radiation. The HVDC power supply, controls, monitoring, and auxiliary circuits are housed approximately 300 feet away external to the ring. A two-gap thyratron is used to discharge the energy storage capacitor. Two hydrogen diodes are series connected to function as an inverse diode.

  10. Single photon emission computed tomography

    SciTech Connect

    Piez, C.W. Jr.; Holman, B.L.

    1985-07-01

    Single photon emission computed tomography (SPECT) is becoming an increasingly important part of routine clinical nuclear medicine. By providing tomographic reconstructions in multiple planes through the patient, SPECT expands the clinical applications in nuclear medicine as well as providing better contrast, edge definition and separation of target from background activities. Imaging techniques have been developed for the evaluation of regional cerebral blood flow using radiolabeled amines. Thus, cerebral functional imaging can be used in the diagnosis of acute cerebral infarction, cerebral vascular disease, dementia and epilepsy. SPECT plays a complementary role in the evaluation of coronary artery disease, particularly when it is coupled with thallium-201 and exercise testing. SPECT extends our diagnostic capabilities in additional areas, such as liver and bone scintigraphy as well as tumor imaging with gallium-67.

  11. Single System Image Cluster Management

    Energy Science and Technology Software Center (ESTSC)

    2004-02-13

    Cluster computing has quickly proven itself to be a capable workhorse for a wide variety of production computing tasks; however, setting up and maintaining a cluster still requires significantly more effort than administrating just a single machine. As computing hardware descreases in price and cluster sizes grow, it is becoming increasingly important to manage clusters cleverly so that a system administration effort can "scale" as well. To ease the task of mananging many machines, administratorsmore » often deploy an environment that is homogeneous across all nodes of a cluster, and maintain a snapshot of the filesystem as a 'master image'. However due to operational, behavioral, and physical constraints, many nodes often require numerous deviations from the master image in order to operate as desired.« less

  12. Single conjugated polymer nanoparticle capacitors

    NASA Astrophysics Data System (ADS)

    Palacios, Rodrigo E.; Lee, Kwang-Jik; Rival, Arnaud; Adachi, Takuji; Bolinger, Joshua C.; Fradkin, Leonid; Barbara, Paul F.

    2009-02-01

    The hole injection from a carbazole derivative hole transport layer into nanoparticles ( r = 25 ± 15 nm) of the conjugated polymer MEH-PPV was investigated by an indirect single-particle fluorescence-quenching technique. The results suggest that there is a kinetic barrier for hole injection that prevents polymer particles from being charged in the dark. This barrier can be overcome with the assistance of optical excitation of the MEH-PPV nanoparticles, achieving a thermodynamic population of injected holes at positive bias. The amount of injected holes at equilibrium is observed to depend upon the bias in a manner highly consistent with device simulations based on a continuum model. Overall, the results demonstrate that the hole injection into nano domains of conjugated polymers is a complex process depending upon molecular interfacial effects determined by device geometry and electrostatic interactions.

  13. Single-cycle nonlinear optics

    SciTech Connect

    Max-Planck-Institut fur Quantenoptik; Goulielmakis, E.; Schultze, M.; Hofstetter, M.; Yakovlev, V. S.; Gagnon, J.; Uiberacker, M.; Aquila, A. L.; gullikson, E. M.; attwood, D. T.; Kienberger, R.; Krausz, F.; Kleineberg, U.

    2008-11-05

    Nonlinear optics plays a central role in the advancement of optical science and laser-based technologies. We report on the confinement of the nonlinear interaction of light with matter to a single wave cycle and demonstrate its utility for time-resolved and strong-field science. The electric field of 3.3-femtosecond, 0.72-micron laser pulses with a controlled and measured waveform ionizes atoms near the crests of the central wave cycle, with ionization being virtually switched off outside this interval. Isolated sub-100-attosecond pulses of extreme ultraviolet light (photon energy {approx} 80 electron volts), containing {approx} 0.5 nanojoule of energy, emerge from the interaction with a conversion efficiency of {approx} 10{sup -6}. These tools enable the study of the precision control of electron motion with light fields and electron-electron interactions with a resolution approaching the atomic unit of time ({approx} 24 attoseconds).

  14. Development of single crystal membranes

    NASA Technical Reports Server (NTRS)

    Stormont, R. W.; Cocks, F. H.

    1972-01-01

    The design and construction of a high pressure crystal growth chamber was accomplished which would allow the growth of crystals under inert gas pressures of 2 MN/sq m (300 psi). A novel crystal growth technique called EFG was used to grow tubes and rods of the hollandite compounds, BaMgTi7O16, K2MgTi7O16, and tubes of sodium beta-alumina, sodium magnesium-alumina, and potassium beta-alumina. Rods and tubes grown are characterized using metallographic and X-ray diffraction techniques. The hollandite compounds are found to be two or three-phase, composed of coarse grained orientated crystallites. Single crystal c-axis tubes of sodium beta-alumina were grown from melts containing excess sodium oxide. Additional experiments demonstrated that crystals of magnesia doped beta-alumina and potassium beta-alumina also can be achieved by this EFG technique.

  15. Single motoneuron succinate dehydrogenase activity.

    PubMed

    Chalmers, G R; Edgerton, V R

    1989-07-01

    We have developed a quantitative histochemical assay for measurement of succinate dehydrogenase (SDH) activity in single motoneurons. A computer image processing system was used to quantify the histochemical enzyme reaction product and to follow the time course of the reaction. The optimal concentration for each of the ingredients of the incubation medium for the SDH reaction was determined and the importance of using histochemical "blanks" in the determination of enzymatic activity was demonstrated. The enzymatic activity was linear with respect to reaction time and tissue thickness. The procedure described meets the criteria generally considered essential for establishment of a quantitative histochemical assay. The assay was then used to examine the SDH activity of cat and rat motoneurons. It was found that motoneurons with a small soma size had a wide range of SDH activity, whereas those with a large soma size were restricted to low SDH activity. PMID:2732457

  16. Nonlinear Single Spin Spectrum Analyzer

    NASA Astrophysics Data System (ADS)

    Kotler, Shlomi; Akerman, Nitzan; Glickman, Yinnon; Ozeri, Roee

    2014-03-01

    Qubits have been used as linear spectrum analyzers of their environments, through the use of decoherence spectroscopy. Here we solve the problem of nonlinear spectral analysis, required for discrete noise induced by a strongly coupled environment. Our nonperturbative analytical model shows a nonlinear signal dependence on noise power, resulting in a spectral resolution beyond the Fourier limit as well as frequency mixing. We develop a noise characterization scheme adapted to this nonlinearity. We then apply it using a single trapped ion as a sensitive probe of strong, non-Gaussian, discrete magnetic field noise. Finally, we experimentally compared the performance of equidistant vs Uhrig modulation schemes for spectral analysis. Phys. Rev. Lett. 110, 110503 (2013). Synopsis at http://physics.aps.org/synopsis-for/10.1103/PhysRevLett.110.110503 Current position: NIST, Boulder, CO.

  17. Electrochemical detection of single molecules.

    PubMed

    Fan, F R; Bard, A J

    1995-02-10

    The electrochemical behavior of a single molecule can be observed by trapping a small volume of a dilute solution of the electroactive species between an ultramicroelectrode tip with a diameter of approximately 15 nanometers and a conductive substrate. A scanning electrochemical microscope was used to adjust the tip-substrate distance ( approximately 10 nanometers), and the oxidation of [(trimethylammonio)methyl] ferrocene (Cp(2)FeTMA(+)) to Cp(2)FeTMA(2+) was carried out. The response was stochastic, and anodic current peaks were observed as the molecule moved into and out of the electrode-substrate gap. Similar experiments were performed with a solution containing two redox species, ferrocene carboxylate (Cp(2)FeCOO(-)) and Os(bpy)(3)(2+) (bpy is 2,2'-bipyridyl). PMID:17813918

  18. Single-contact tunneling thermometry

    DOEpatents

    Maksymovych, Petro

    2016-02-23

    A single-contact tunneling thermometry circuit includes a tunnel junction formed between two objects. Junction temperature gradient information is determined based on a mathematical relationship between a target alternating voltage applied across the junction and the junction temperature gradient. Total voltage measured across the junction indicates the magnitude of the target alternating voltage. A thermal gradient is induced across the junction. A reference thermovoltage is measured when zero alternating voltage is applied across the junction. An increasing alternating voltage is applied while measuring a thermovoltage component and a DC rectification voltage component created by the applied alternating voltage. The target alternating voltage is reached when the thermovoltage is nullified or doubled by the DC rectification voltage depending on the sign of the reference thermovoltage. Thermoelectric current and current measurements may be utilized in place of the thermovoltage and voltage measurements. The system may be automated with a feedback loop.

  19. Single fatherhood due to cancer.

    PubMed

    Yopp, Justin M; Rosenstein, Donald L

    2012-12-01

    Cancer is a leading cause of widowed fatherhood in the USA. Fathers whose spouses have died from cancer constitute a potentially vulnerable population as they adjust to their role as sole or primary caregiver while managing their own grief and that of their children. The importance of addressing the psychological needs of widowed fathers is underscored by data showing that father's coping and emotional availability are closely tied to their bereaved children's mental health. Surprisingly, scant attention has been given to the phenomenon of widowed fatherhood with virtually no clinical resources or research studies devoted to fathers who have lost their wives to cancer. This commentary highlights key challenges facing this underserved population of widowers and calls for development of research agendas and clinical interventions for single fathers due to cancer. PMID:21830258

  20. The Single Parent and Public Policy.

    ERIC Educational Resources Information Center

    Schorr, Alvin L.; Moen, Phyllis

    1979-01-01

    Single parent families are misrepresented to the general public and to themselves. Issues change focus if one views single parenthood as a normal and permanent feature of our social landscape. (Author/EB)

  1. Tensional Homeostasis in Single Fibroblasts

    PubMed Central

    Webster, Kevin D.; Ng, Win Pin; Fletcher, Daniel A.

    2014-01-01

    Adherent cells generate forces through acto-myosin contraction to move, change shape, and sense the mechanical properties of their environment. They are thought to maintain defined levels of tension with their surroundings despite mechanical perturbations that could change tension, a concept known as tensional homeostasis. Misregulation of tensional homeostasis has been proposed to drive disorganization of tissues and promote progression of diseases such as cancer. However, whether tensional homeostasis operates at the single cell level is unclear. Here, we directly test the ability of single fibroblast cells to regulate tension when subjected to mechanical displacements in the absence of changes to spread area or substrate elasticity. We use a feedback-controlled atomic force microscope to measure and modulate forces and displacements of individual contracting cells as they spread on a fibronectin-patterned atomic-force microscope cantilever and coverslip. We find that the cells reach a steady-state contraction force and height that is insensitive to stiffness changes as they fill the micropatterned areas. Rather than maintaining a constant tension, the fibroblasts altered their contraction force in response to mechanical displacement in a strain-rate-dependent manner, leading to a new and stable steady-state force and height. This response is influenced by overexpression of the actin crosslinker α-actinin, and rheology measurements reveal that changes in cell elasticity are also strain- rate-dependent. Our finding of tensional buffering, rather than homeostasis, allows cells to transition between different tensional states depending on how they are displaced, permitting distinct responses to slow deformations during tissue growth and rapid deformations associated with injury. PMID:24988349

  2. Stacking fault energy in some single crystals

    NASA Astrophysics Data System (ADS)

    Vora, Aditya M.

    2012-06-01

    The stacking fault energy of single crystals has been reported using the peak shift method. Presently studied all single crystals are grown by using a direct vapor transport (DVT) technique in the laboratory. The structural characterizations of these crystals are made by XRD. Considerable variations are shown in deformation (α) and growth (β) probabilities in single crystals due to off-stoichiometry, which possesses the stacking fault in the single crystal.

  3. Carboxylic and dicarboxylic acids extracted from crushed magnesium oxide single crystals

    NASA Technical Reports Server (NTRS)

    Freund, F.; Gupta, A. D.; Kumar, D.

    1999-01-01

    Carboxylic and dicarboxylic acids (glycolic, oxalic, malonic and succinic) have been extracted with tetrahydrofuran (THF) and H2O from large synthetic MgO crystals, crushed to a medium fine powder. The extracts were characterized by infrared spectroscopy and 1H-NMR. The THF extracts were derivatized with tert-butyldimethylsilyl (t-BDMS) for GC-MS analysis. A single crystal separated from the extract was used for an x-ray structure analysis, giving the monoclinic unit cell, space group P21/c with ao = 5.543 A, bo = 8.845 A, co = 5.086 A, and beta = 91.9 degrees, consistent with beta-succinic acid, HOOC(CH2)COOH. The amount of extracted acids is estimated to be of the order of 0.1 to 0.5 mg g-1 MgO. The MgO crystals from which these organic acids were extracted grew from the 2860 degrees C hot melt, saturated with CO/CO2 and H2O, thereby incorporating small amounts of the gaseous components to form a solid solution (ss) with MgO. Upon cooling, the ss becomes supersaturated, causing solute carbon and other solute species to segregate not only to the surface but also internally, to dislocations and subgrain boundaries. The organic acids extracted from the MgO crystals after crushing appear to derive from these segregated solutes that formed C-C, C-H and C-O bonds along dislocations and other defects in the MgO structure, leading to entities that can generically be described as (HxCyOz)n-. The processes underlying the formation of these precursors are fundamental in nature and expected to be operational in any minerals, preferentially those with dense structures, that crystallized in H2O-CO2-laden environments. This opens the possibility that common magmatic and metamorphic rocks when weathering at the surface of a tectonically active planet like Earth may be an important source of abiogenically formed complex organic compounds.

  4. Carboxylic and Dicarboxylic Acids Extracted from Crushed Magnesium Oxide Single Crystals

    NASA Technical Reports Server (NTRS)

    Freund, Friedemann; Gupta, Alka D.; Kumar, Devendra; DeVincenzi, Donald (Technical Monitor)

    1998-01-01

    Carboxylic and dicarboxylic acids (glycolic, oxalic, malonic and succinic) have been extracted with tetrahydrofuran (THE) and H2O from large synthetic MgO crystals, crushed to a medium fine powder. The extracts were characterized by infrared spectroscopy and (sup 1)H-NMR (Nuclear Magnetic Resonance). The THF extracts were derivatized with tert-butyldimethylsilyl (t-BDMS) for GC-MS (Gas Chromatography - Mass Spectroscopy) analysis. A single crystal separated from the extract was used for an x-ray structure analysis, giving the monoclinic unit cell, space group P2(sub 1)/c with a(sub o) = 5.543 A, b(sub o) = 8.845 A, c(sub o) = 5.086 A, and beta = 91.9 degrees, consistent with beta-succinic acid, HOOC(CH2)COOH. The amount of extracted acids is estimated to be of the order of 0.1 to 0.5 mg/g MgO. The MgO crystals from which these organic acids were extracted grew from the 2360 C hot melt, saturated with CO/CO2 and H2O, thereby incorporating small amounts of the gaseous components to form a solid solution (ss) with MgO. Upon cooling, the ss becomes supersaturated, causing solute carbon and other solute species to segregate not only to the surface but also internally, to dislocations and subgrain boundaries. The organic acids extracted from the MgO crystals after crushing appear to derive from these segregated solutes that formed C-C, C-H, and C-O bonds along dislocations and other defects in the MgO structure, leading to entities that can generically be described as (HxCyOz)(sup n-). The processes underlying the formation of these precursors are fundamental in nature and expected to be operational in any minerals, preferentially those with dense structures, that crystallized in H2O-CO2-laden environments. This opens the possibility that common magmatic and metamorphic rocks when weathering at the surface of a tectonically active planet like Earth may be an important source of abiogenically formed complex organic compounds.

  5. Mechanical studies on single molecules: general considerations

    NASA Astrophysics Data System (ADS)

    Bensimon, David; Croquette, Vincent

    2015-10-01

    The following sections are included: * Elements of molecular biology * Advantages and drawbacks of single molecule studies * Order of magnitude of the relevant parameters at the single molecule level * Single molecule manipulation techniques * Comparison of the different techniques * DNA mechanical properties * Conclusion * Bibliography

  6. The Advantages of Single-Sex Education

    ERIC Educational Resources Information Center

    Hughes, Teresa A.

    2006-01-01

    Traditionally, single-sex education has been provided in the form of private schooling. Title IX regulations have loosened as a result of the No Child Left Behind Legislation; therefore, public school districts now have the legal right to create single-sex classes or single-sex schools if they deem it to be in the best interest of their students.…

  7. Single Subject Research: Applications to Special Education

    ERIC Educational Resources Information Center

    Cakiroglu, Orhan

    2012-01-01

    Single subject research is a scientific research methodology that is increasingly used in the field of special education. Therefore, understanding the unique characteristics of single subject research methodology is critical both for educators and practitioners. Certain characteristics make single subject research one of the most preferred…

  8. The Promise of Single-Sex Classes

    ERIC Educational Resources Information Center

    Stotsky, Sandra

    2012-01-01

    Despite the enthusiasm and the absence of definitive research on the pros and cons of single-sex classes, a 2011 article in Science, titled "The Pseudoscience of Single-Sex Schooling," by a new organization called American Council for CoEducational Schooling (ACCES) came out with the astonishing conclusion that single-sex education is ineffective…

  9. Single chip camera active pixel sensor

    NASA Technical Reports Server (NTRS)

    Shaw, Timothy (Inventor); Pain, Bedabrata (Inventor); Olson, Brita (Inventor); Nixon, Robert H. (Inventor); Fossum, Eric R. (Inventor); Panicacci, Roger A. (Inventor); Mansoorian, Barmak (Inventor)

    2003-01-01

    A totally digital single chip camera includes communications to operate most of its structure in serial communication mode. The digital single chip camera include a D/A converter for converting an input digital word into an analog reference signal. The chip includes all of the necessary circuitry for operating the chip using a single pin.

  10. Single-Parent Families in Rural Communities

    ERIC Educational Resources Information Center

    Lewis, Ken

    1978-01-01

    Presenting national statistics on single-parent families, this article illustrates the need for serious study of this phenomenon, suggesting that changing divorce laws, increased single-parent adoptions, and an increase in the number of supportive services for single-parent families are contingencies having significant bearing upon the…

  11. Accurate pose estimation using single marker single camera calibration system

    NASA Astrophysics Data System (ADS)

    Pati, Sarthak; Erat, Okan; Wang, Lejing; Weidert, Simon; Euler, Ekkehard; Navab, Nassir; Fallavollita, Pascal

    2013-03-01

    Visual marker based tracking is one of the most widely used tracking techniques in Augmented Reality (AR) applications. Generally, multiple square markers are needed to perform robust and accurate tracking. Various marker based methods for calibrating relative marker poses have already been proposed. However, the calibration accuracy of these methods relies on the order of the image sequence and pre-evaluation of pose-estimation errors, making the method offline. Several studies have shown that the accuracy of pose estimation for an individual square marker depends on camera distance and viewing angle. We propose a method to accurately model the error in the estimated pose and translation of a camera using a single marker via an online method based on the Scaled Unscented Transform (SUT). Thus, the pose estimation for each marker can be estimated with highly accurate calibration results independent of the order of image sequences compared to cases when this knowledge is not used. This removes the need for having multiple markers and an offline estimation system to calculate camera pose in an AR application.

  12. Scaling and Single Event Effects (SEE) Sensitivity

    NASA Technical Reports Server (NTRS)

    Oldham, Timothy R.

    2003-01-01

    This paper begins by discussing the potential for scaling down transistors and other components to fit more of them on chips in order to increasing computer processing speed. It also addresses technical challenges to further scaling. Components have been scaled down enough to allow single particles to have an effect, known as a Single Event Effect (SEE). This paper explores the relationship between scaling and the following SEEs: Single Event Upsets (SEU) on DRAMs and SRAMs, Latch-up, Snap-back, Single Event Burnout (SEB), Single Event Gate Rupture (SEGR), and Ion-induced soft breakdown (SBD).

  13. Single-molecule imaging by optical absorption

    NASA Astrophysics Data System (ADS)

    Celebrano, Michele; Kukura, Philipp; Renn, Alois; Sandoghdar, Vahid

    2011-02-01

    To date, optical studies of single molecules at room temperature have relied on the use of materials with high fluorescence quantum yield combined with efficient spectral rejection of background light. To extend single-molecule studies to a much larger pallet of substances that absorb but do not fluoresce, scientists have explored the photothermal effect, interferometry, direct attenuation and stimulated emission. Indeed, very recently, three groups have succeeded in achieving single-molecule sensitivity in absorption. Here, we apply modulation-free transmission measurements known from absorption spectrometers to image single molecules under ambient conditions both in the emissive and strongly quenched states. We arrive at quantitative values for the absorption cross-section of single molecules at different wavelengths and thereby set the ground for single-molecule absorption spectroscopy. Our work has important implications for research ranging from absorption and infrared spectroscopy to sensing of unlabelled proteins at the single-molecule level.

  14. Single-electron entanglement and nonlocality

    NASA Astrophysics Data System (ADS)

    Dasenbrook, David; Bowles, Joseph; Bohr Brask, Jonatan; Hofer, Patrick P.; Flindt, Christian; Brunner, Nicolas

    2016-04-01

    Motivated by recent progress in electron quantum optics, we revisit the question of single-electron entanglement, specifically whether the state of a single electron in a superposition of two separate spatial modes should be considered entangled. We first discuss a gedanken experiment with single-electron sources and detectors, and demonstrate deterministic (i. e. without post-selection) Bell inequality violation. This implies that the single-electron state is indeed entangled and, furthermore, nonlocal. We then present an experimental scheme where single-electron entanglement can be observed via measurements of the average currents and zero-frequency current cross-correlators in an electronic Hanbury Brown–Twiss interferometer driven by Lorentzian voltage pulses. We show that single-electron entanglement is detectable under realistic operating conditions. Our work settles the question of single-electron entanglement and opens promising perspectives for future experiments.

  15. Bioinspired artificial single ion pump.

    PubMed

    Zhang, Huacheng; Hou, Xu; Zeng, Lu; Yang, Fu; Li, Lin; Yan, Dadong; Tian, Ye; Jiang, Lei

    2013-10-30

    Bioinspired artificial functional nanochannels for intelligent molecular and ionic transport control at the nanoscale have wide potential applications in nanofluidics, energy conversion, and biosensors. Although various smart passive ion transport properties of ion channels have been artificially realized, it is still hugely challenging to achieve high level intelligent ion transport features in biological ion pumps. Here we show a unique bioinspired single ion pump based on a cooperative pH response double-gate nanochannel, whose gates could be opened and closed alternately/simultaneously under symmetric/asymmetric pH environments. With the stimulation of the double-gate nanochannel by continuous switching of the symmetric/asymmetric pH stimuli, the bioinspired system systematically realized three key ionic transport features of biological ion pumps, including an alternating gates ion pumping process under symmetric pH stimuli, transformation of the ion pump into an ion channel under asymmetric pH stimuli, and a fail-safe ion pumping feature under both symmetric and asymmetric pH stimuli. The ion pumping processes could well be reproduced under a concentration gradient. With the advantages of the extraordinary ionic transport functions of biological ion pumps, the bioinspired ion pump should find widespread applicability in active transportation-controlling smart nanofluidic devices, efficient energy conversions, and seawater desalinization, and open the way to design and develop novel bioinspired intelligent artificial nanochannel materials. PMID:23773031

  16. Prions: Beyond a Single Protein.

    PubMed

    Das, Alvin S; Zou, Wen-Quan

    2016-07-01

    Since the term protein was first coined in 1838 and protein was discovered to be the essential component of fibrin and albumin, all cellular proteins were presumed to play beneficial roles in plants and mammals. However, in 1967, Griffith proposed that proteins could be infectious pathogens and postulated their involvement in scrapie, a universally fatal transmissible spongiform encephalopathy in goats and sheep. Nevertheless, this novel hypothesis had not been evidenced until 1982, when Prusiner and coworkers purified infectious particles from scrapie-infected hamster brains and demonstrated that they consisted of a specific protein that he called a "prion." Unprecedentedly, the infectious prion pathogen is actually derived from its endogenous cellular form in the central nervous system. Unlike other infectious agents, such as bacteria, viruses, and fungi, prions do not contain genetic materials such as DNA or RNA. The unique traits and genetic information of prions are believed to be encoded within the conformational structure and posttranslational modifications of the proteins. Remarkably, prion-like behavior has been recently observed in other cellular proteins-not only in pathogenic roles but also serving physiological functions. The significance of these fascinating developments in prion biology is far beyond the scope of a single cellular protein and its related disease. PMID:27226089

  17. Single gallium nitride nanowire lasers.

    PubMed

    Johnson, Justin C; Choi, Heon-Jin; Knutsen, Kelly P; Schaller, Richard D; Yang, Peidong; Saykally, Richard J

    2002-10-01

    There is much current interest in the optical properties of semiconductor nanowires, because the cylindrical geometry and strong two-dimensional confinement of electrons, holes and photons make them particularly attractive as potential building blocks for nanoscale electronics and optoelectronic devices, including lasersand nonlinear optical frequency converters. Gallium nitride (GaN) is a wide-bandgap semiconductor of much practical interest, because it is widely used in electrically pumped ultraviolet-blue light-emitting diodes, lasers and photodetectors. Recent progress in microfabrication techniques has allowed stimulated emission to be observed from a variety of GaN microstructures and films. Here we report the observation of ultraviolet-blue laser action in single monocrystalline GaN nanowires, using both near-field and far-field optical microscopy to characterize the waveguide mode structure and spectral properties of the radiation at room temperature. The optical microscope images reveal radiation patterns that correlate with axial Fabry-Perot modes (Q approximately 10(3)) observed in the laser spectrum, which result from the cylindrical cavity geometry of the monocrystalline nanowires. A redshift that is strongly dependent on pump power (45 meV microJ x cm(-2)) supports the idea that the electron-hole plasma mechanism is primarily responsible for the gain at room temperature. This study is a considerable advance towards the realization of electron-injected, nanowire-based ultraviolet-blue coherent light sources. PMID:12618824

  18. Single crystals for welding research

    SciTech Connect

    David, S.A.; Boatner, L.A.

    1991-01-01

    Most welds last for many years, but a few fail after a relatively short time. Knowing the reasons why welds fail is important because cracks in welds can threaten the safety of people in buildings, airplanes, ships, automobiles, and power plants. Bad welds can lead to costly, extended shutdowns of industrial facilities such as petroleum refineries. Thus, research on this very important fabrication technology is critical to the multibillion-dollar welding industry. Research at ORNL and elsewhere strives to determine the structural features that make some welds strong and others weak. The goals are to find cost-effective ways to characterize the structure and strength of a new weld, correctly predict whether it will last a long time, and determine the welding conditions most likely to produce high-quality welds. There is more to welding than meets the eye. The cracks that make welds fail result from the complexities of microstructures formed during welding. Thus weld microstructure is linked to weld properties such as mechanical strength. As the hot weld material cools from a liquid into a solid, the crystalline grains grow at different speeds and in different directions, forming a new microstructure. By using single crystals rather than polycrystalline alloys to study different weld microstructures, scientists at ORNL have developed a way to predict more accurately the microstructures of various welds. The results could guide welders in providing the right conditions (correct welding speed, heat input, and weld thickness) for producing safer, higher-quality, and longer-lasting welds.

  19. Single-photon emission tomography.

    PubMed

    Goffin, Karolien; van Laere, Koen

    2016-01-01

    Single-photon emission computed tomography (SPECT) is a functional nuclear imaging technique that allows visualization and quantification of different in vivo physiologic and pathologic features of brain neurobiology. It has been used for many years in diagnosis of several neurologic and psychiatric disorders. In this chapter, we discuss the current state-of-the-art of SPECT imaging of brain perfusion and dopamine transporter (DAT) imaging. Brain perfusion SPECT imaging plays an important role in the localization of the seizure onset zone in patients with refractory epilepsy. In cerebrovascular disease, it can be useful in determining the cerebrovascular reserve. After traumatic brain injury, SPECT has shown perfusion abnormalities despite normal morphology. In the context of organ donation, the diagnosis of brain death can be made with high accuracy. In neurodegeneration, while amyloid or (18)F-fluorodeoxyglucose positron emission tomography (FDG-PET) are the nuclear diagnostic tools of preference for early and differential diagnosis of dementia, perfusion SPECT imaging can be useful, albeit with slightly lower accuracy. SPECT imaging of the dopamine transporter system is widely available in Europe and Asia, but since recently also in the USA, and has been accepted as an important diagnostic tool in the early and differential diagnosis of parkinsonism in patients with unclear clinical features. The combination of perfusion SPECT (or FDG-PET) and DAT imaging provides differential diagnosis between idiopathic Parkinson's disease, Parkinson-plus syndromes, dementia with Lewy bodies, and essential tremor. PMID:27432669

  20. Nonlinear Single Spin Spectrum Analayzer

    NASA Astrophysics Data System (ADS)

    Kotler, Shlomi; Akerman, Nitzan; Glickman, Yinnon; Ozeri, Roee

    2014-05-01

    Qubits are excellent probes of their environment. When operating in the linear regime, they can be used as linear spectrum analyzers of the noise processes surrounding them. These methods fail for strong non-Gaussian noise where the qubit response is no longer linear. Here we solve the problem of nonlinear spectral analysis, required for strongly coupled environments. Our non-perturbative analytic model shows a nonlinear signal dependence on noise power, resulting in a spectral resolution beyond the Fourier limit as well as frequency mixing. We developed a noise characterization scheme adapted to this non-linearity. We then applied it using a single trapped 88Sr+ ion as the a sensitive probe of strong, non-Gaussian, discrete magnetic field noise. With this method, we attained a ten fold improvement over the standard Fourier limit. Finally, we experimentally compared the performance of equidistant vs. Uhrig modulation schemes for spectral analysis. Phys. Rev. Lett. 110, 110503 (2013), Synopsis at http://physics.aps.org/synopsis-for/10.1103/PhysRevLett.110.110503 Current position: National Institute of Standards and Tehcnology, Boulder, CO.

  1. Single Molecule Studies of Chromatin

    SciTech Connect

    Jeans, C; Thelen, M P; Noy, A

    2006-02-06

    In eukaryotic cells, DNA is packaged as chromatin, a highly ordered structure formed through the wrapping of the DNA around histone proteins, and further packed through interactions with a number of other proteins. In order for processes such as DNA replication, DNA repair, and transcription to occur, the structure of chromatin must be remodeled such that the necessary enzymes can access the DNA. A number of remodeling enzymes have been described, but our understanding of the remodeling process is hindered by a lack of knowledge of the fine structure of chromatin, and how this structure is modulated in the living cell. We have carried out single molecule experiments using atomic force microscopy (AFM) to study the packaging arrangements in chromatin from a variety of cell types. Comparison of the structures observed reveals differences which can be explained in terms of the cell type and its transcriptional activity. During the course of this project, sample preparation and AFM techniques were developed and optimized. Several opportunities for follow-up work are outlined which could provide further insight into the dynamic structural rearrangements of chromatin.

  2. [Neuropathological perspective on single slide].

    PubMed

    Hirano, Asao

    2008-11-01

    During over 50 years of my career in Neuropathology at Montefiore Medical Center in New York, I have come across certain interesting neuropathological findings. In this communication, some photographs showing macroscopic, microscopic and electron microscopic significant findings are selected to illustrate the usefulness, not only for the diagnosis but also for the understanding of the nervous system. The 11 topics presented in this paper are: (1) alteration of dura mater associated with advanced aging; (2) orderly arrangement of tumor cells in leptomeningeal carcinomatosis; (3) horizontal section of brain with border zone infarct; (4) neurofibrillary tangle formation in the nucleus basalis Meynert ipsilateral to a massive cerebral infarct; (5) extracellular spread of hematogenous edema fluid in the white matter: (6) unrolled myelin sheath: (7) unattached presynaptic terminals in cerebellar neuroblastoma: (8) unattached post synaptic terminals in agranular cerebellar degeneration: (9) neurofibrillary tangles and Lewy bodes in a single neuron: (10) Cu/Zu superoxide dismutase positive Lewy body-like hyaline inclusions in anterior horn cells in familial motor neuron disease: (11) Hirano body. Analysis of these findings are presented for an educational purpose. PMID:19198088

  3. Single-Chain Antibody Library

    DOE Data Explorer

    Baird, Cheryl

    Researchers at Pacific Northwest National Laboratory (PNNL) have constructed a nonimmune library consisting of 109 human antibody scFv fragments, which have been cloned and expressed on the surface of yeast. Nanomolar-affinity scFvs are routinely obtained by magnetic bead screening and flow cytometric sorting. The yeast library can be amplified 1010 fold without measurable loss of clonal diversity. This allows for indefinite expansion of the library. All scFv clones can be assessed directly on the yeast cell surface by immunofluorescent labeling and flow cytometry, obviating separate subcloning, expression, and purification steps. The ability to use multiplex library screening demonstrates the utility of this approach for high-throughput antibody isolation for proteomic applications. The yeast library may be used for research projects or teaching performed for U.S. Government purposes only. If you would like to request an aliquot of the single-chain antibody library for your research, please print and fill out the Materials Transfer Agreement (MTA) [PDF, 20K]. The website provides the contact information for mailing the MTA. [copied from http://www.sysbio.org/dataresources/singlechain.stm

  4. Synthesis, single-crystal structure, and optical absorption of Rb{sub 2}Th{sub 7}Se{sub 15}

    SciTech Connect

    Koscielski, Lukasz A.; Pozzi, Eric A.; Van Duyne, Richard P.; Ibers, James A.

    2013-09-15

    The compound Rb{sub 2}Th{sub 7}Se{sub 15} has been synthesized by the solid-state reaction at 1273 K of Th, Rb{sub 2}Se{sub 3}, Se, and Ge, and its structure has been determined by single-crystal X-ray diffraction methods. Red crystals of Rb{sub 2}Th{sub 7}Se{sub 15} crystallize at 100(2) K with four formula units in a new structure type in the monoclinic space group C{sub 2h}{sup 5}−P2{sub 1}/c. The structure is three-dimensional and comprises Rb and Th atoms coordinated by Se atoms to form nine-, eight-, and seven-coordinate polyhedra. Infinite channels that contain Rb atoms are present. Crystals of Rb{sub 2}Th{sub 7}Se{sub 15} are red in color; an indirect band gap of 1.83 eV was derived from single-crystal optical measurements. - Graphical abstract: Structure of Rb{sub 2}Th{sub 7}Se{sub 15} viewed down the b-axis. Display Omitted - Highlights: • The new compound Rb{sub 2}Th{sub 7}Se{sub 15} was synthesized at 1273 K from the elements in the presence of Ge. • The structures of the two known Rb/Th/Se compounds, RbTh{sub 2}Se{sub 6} and Rb{sub 2}Th{sub 7}Se{sub 15}, differ markedly. • Optical measurements establish the band gap of Rb{sub 2}Th{sub 7}Se{sub 15} to be indirect with a value of 1.83 eV.

  5. {Lambda} single-particle energies

    SciTech Connect

    Bodmer, A.R.; Usmani, Q.N.; Sami, M.

    1995-08-01

    We are continuing our work on the {Lambda} hyperon single-particle (s.p.) energies and their interpretation in terms of the basic {Lambda}-nuclear interactions. In particular we are interpreting the results obtained by S.C. Pieper, A. Usmani and Q.N. Usmani. We obtain about 30 MeV for the repulsive contribution of the three-body {Lambda}NN forces in nuclear matter. We are able to exclude purely {open_quotes}dispersive{close_quotes} {Lambda}NN forces. We are investigating the mix of dispersive and two-pion-exchange {Lambda}NN forces which provide a fit to the s.p. data. For interactions, which provide a fit to the s.p. data, the {Lambda} binding energy as a function of the nuclear matter density shows characteristic saturation features with a maximum at a density not very different from that of normal nuclear matter. We obtain a more precise measure of the space-exchange part of the {Lambda}-nuclear force than was previously available, corresponding to an exchange parameter {approx_equal} 0.32. The space-exchange force is rather directly related to the effective mass of a {Lambda} in the nuclear medium and turns out to be about 70% of its free mass. As a result, we also obtain a much better value for the p-state {Lambda}-nucleus potential which is about 40% of the s-state potential. The A binding to nuclear matter is determined to be {approx_equal} 28 MeV.

  6. A new toolbox for assessing single cells.

    PubMed

    Tsioris, Konstantinos; Torres, Alexis J; Douce, Thomas B; Love, J Christopher

    2014-01-01

    Unprecedented access to the biology of single cells is now feasible, enabled by recent technological advancements that allow us to manipulate and measure sparse samples and achieve a new level of resolution in space and time. This review focuses on advances in tools to study single cells for specific areas of biology. We examine both mature and nascent techniques to study single cells at the genomics, transcriptomics, and proteomics level. In addition, we provide an overview of tools that are well suited for following biological responses to defined perturbations with single-cell resolution. Techniques to analyze and manipulate single cells through soluble and chemical ligands, the microenvironment, and cell-cell interactions are provided. For each of these topics, we highlight the biological motivation, applications, methods, recent advances, and opportunities for improvement. The toolbox presented in this review can function as a starting point for the design of single-cell experiments. PMID:24910919

  7. Single Nanopore Investigations with Ion Conductance Microscopy

    PubMed Central

    Chen, Chiao-Chen; Zhou, Yi; Baker, Lane A.

    2011-01-01

    A three-electrode scanning ion conductance microscope (SICM) was used to investigate the local current-voltage properties of a single nanopore. In this experimental configuration, the response measured is a function of changes in the resistances involved in the pathways of ion migration. Single nanopore membranes utilized in this study were prepared with an epoxy painting procedure to isolate a single nanopore from a track-etch multi-pore membrane. Current-voltage responses measured with the SICM probe in the vicinity of a single nanopore were investigated in detail and agreed well with equivalent circuit models proposed in this study. With this modified SICM, the current-voltage responses characterized for the case of a single cylindrical pore and a single conical pore exhibit distinct conductance properties that originate from the geometry of nanopores. PMID:21923184

  8. Single Nucleotide Polymorphisms and Osteoarthritis

    PubMed Central

    Wang, Ting; Liang, Yuting; Li, Hong; Li, Haibo; He, Quanze; Xue, Ying; Shen, Cong; Zhang, Chunhua; Xiang, Jingjing; Ding, Jie; Qiao, Longwei; Zheng, Qiping

    2016-01-01

    Abstract Osteoarthritis (OA) is a complex disorder characterized by degenerative articular cartilage and is largely attributed to genetic risk factors. Single nucleotide polymorphisms (SNPs) are common DNA variants that have shown promising and efficiency, compared with positional cloning, to map candidate genes of complex diseases, including OA. In this study, we aim to provide an overview of multiple SNPs from a number of genes that have recently been linked to OA susceptibility. We also performed a comprehensive meta-analysis to evaluate the association of SNP rs7639618 of double von Willebrand factor A domains (DVWA) gene with OA susceptibility. A systematic search of studies on the association of SNPs with susceptibility to OA was conducted in PubMed and Google scholar. Studies subjected to meta-analysis include human and case-control studies that met the Hardy–Weinberg equilibrium model and provide sufficient data to calculate an odds ratio (OR). A total of 9500 OA cases and 9365 controls in 7 case-control studies relating to SNP rs7639618 were included in this study and the ORs with 95% confidence intervals (CIs) were calculated. Over 50 SNPs from different genes have been shown to be associated with either hip (23), or knee (20), or both (13) OA. The ORs of these SNPs for OA and the subtypes are not consistent. As to SNP rs7639618 of DVWA, increased knee OA risk was observed in all genetic models analyzed. Specifically, people from Asian with G-allele showed significantly increased risk of knee OA (A versus G: OR = 1.28, 95% CI 1.13–1.46; AA versus GG: OR = 1.60, 95% CI 1.25–2.05; GA versus GG: OR = 1.31, 95% CI 1.18–1.44; AA versus GA+GG: OR = 1.34, 95% CI 1.12–1.61; AA+GA versus GG: OR = 1.40, 95% CI 1.19–1.64), but not in Caucasians or with hip OA. Our results suggest that multiple SNPs play different roles in the pathogenesis of OA and its subtypes; SNP rs7639618 of DVWA gene is associated with a significantly increased

  9. Phase coexistence and domain configuration in Pb(Mg1/3Nb2/3)O3-0.34PbTiO3 single crystal revealed by synchrotron-based X-ray diffractive three-dimensional reciprocal space mapping and piezoresponse force microscopy

    NASA Astrophysics Data System (ADS)

    Wang, Ruixue; Xu, Han; Yang, Bin; Luo, Zhenlin; Sun, Enwei; Zhao, Jiangtao; Zheng, Limei; Dong, Yongqi; Zhou, Hua; Ren, Yang; Gao, Chen; Cao, Wenwu

    2016-04-01

    The crystalline phases and domain configuration in the morphotropic phase boundary composition Pb(Mg1/3Nb2/3)O3-0.34PbTiO3 (PMN-0.34PT) single crystal have been investigated by synchrotron-based X-ray 3D Reciprocal Space Mapping (3D-RSM) and Piezoresponse Force Microscopy. The coexistence of tetragonal (T) and monoclinic MC phases in this PMN-0.34PT single crystal is confirmed. The affiliation of each diffraction spot in the 3D-RSM was identified with the assistance of qualitative simulation. Most importantly, the twinning structure between different domains in such a mixed phase PMN-PT crystal is firmly clarified, and the spatial distribution of different twin domains is demonstrated. In addition, the lattice parameters of T and MC phases in PMN-0.34PT single crystal as well as the tilting angles of crystal lattices caused by the interfacial lattice mismatch are determined.

  10. Model protocells from single-chain lipids.

    PubMed

    Mansy, Sheref S

    2009-03-01

    Significant progress has been made in the construction of laboratory models of protocells. Most frequently the developed vesicle systems utilize single-chain lipids rather than the double-chain lipids typically found in biological membranes. Although single-chain lipids yield less robust vesicles, their dynamic characteristics are highly exploitable for protocellular functions. Herein the advantages of using single-chain lipids in the construction of protocells are discussed. PMID:19399223

  11. Model Protocells from Single-Chain Lipids

    PubMed Central

    Mansy, Sheref S.

    2009-01-01

    Significant progress has been made in the construction of laboratory models of protocells. Most frequently the developed vesicle systems utilize single-chain lipids rather than the double-chain lipids typically found in biological membranes. Although single-chain lipids yield less robust vesicles, their dynamic characteristics are highly exploitable for protocellular functions. Herein the advantages of using single-chain lipids in the construction of protocells are discussed. PMID:19399223

  12. Single-Cell Genomics for Virology.

    PubMed

    Ciuffi, Angela; Rato, Sylvie; Telenti, Amalio

    2016-01-01

    Single-cell sequencing technologies, i.e., single cell analysis followed by deep sequencing investigate cellular heterogeneity in many biological settings. It was only in the past year that single-cell sequencing analyses has been applied in the field of virology, providing new ways to explore viral diversity and cell response to viral infection, which are summarized in the present review. PMID:27153082

  13. Single-Cell Genomics for Virology

    PubMed Central

    Ciuffi, Angela; Rato, Sylvie; Telenti, Amalio

    2016-01-01

    Single-cell sequencing technologies, i.e., single cell analysis followed by deep sequencing investigate cellular heterogeneity in many biological settings. It was only in the past year that single-cell sequencing analyses has been applied in the field of virology, providing new ways to explore viral diversity and cell response to viral infection, which are summarized in the present review. PMID:27153082

  14. Single port VATS: recent developments in Asia.

    PubMed

    Yu, Peter S Y; Capili, Freddie; Ng, Calvin S H

    2016-03-01

    Single port video-assisted thoracic surgery (VATS) is the most recent evolution in minimally invasive thoracic surgery. With increasing global popularity, the single port VATS approach has been adopted by experienced thoracic surgeons in many Asian countries. From initial experience of single port VATS lobectomy to the more complex sleeve resection procedures now forming part of daily practice in some Asia institutes, the region has been the proving ground for single port VATS approaches' feasibility and safety. In addition, certain technical refinements in single port VATS lung resection and lymph node dissection have also sprung from Asia. Novel equipment designed to facilitate single port VATS allowing further reduce access trauma are being realized by the partnership between surgeons and the industries. Advanced thoracoscopes and staplers that are narrower and more maneuverable are particularly important in the smaller habitus of patients from Asia. These and similar new generation equipment are being applied to single port VATS in novel ways. As dedicated thoracic surgeons in the region continue to striving for excellence, innovative ideas in single incision access including subxiphoid and embryonic natural-orifice transluminal endoscopic surgery (e-NOTES) have been explored. Adjunct techniques and technology used in association with single port VATS such as non-intubated surgery, hybrid operating room image guidance and electromagnetic navigational bronchoscopy are all in rapid development in Asia. PMID:27014478

  15. Zero-Area Single-Photon Pulses.

    PubMed

    Costanzo, L S; Coelho, A S; Pellegrino, D; Mendes, M S; Acioli, L; Cassemiro, K N; Felinto, D; Zavatta, A; Bellini, M

    2016-01-15

    Broadband single photons are usually considered not to couple efficiently to atomic gases because of the large mismatch in bandwidth. Contrary to this intuitive picture, here we demonstrate that the interaction of ultrashort single photons with a dense resonant atomic sample deeply modifies the temporal shape of their wave packet mode without degrading their nonclassical character, and effectively generates zero-area single-photon pulses. This is a clear signature of strong transient coupling between single broadband (THz-level) light quanta and atoms, with intriguing fundamental implications and possible new applications to the storage of quantum information. PMID:26824539

  16. Nanometer Resolution Imaging by SIngle Molecule Switching

    SciTech Connect

    Hu, Dehong; Orr, Galya

    2010-04-02

    The fluorescence intensity of single molecules can change dramatically even under constant laser excitation. The phenomenon is frequently called "blinking" and involves molecules switching between high and low intensity states.[1-3] In additional to spontaneous blinking, the fluorescence of some special fluorophores, such as cyanine dyes and photoactivatable fluorescent proteins, can be switched on and off by choice using a second laser. Recent single-molecule spectroscopy investigations have shed light on mechanisms of single molecule blinking and photoswitching. This ability to controllably switch single molecules led to the invention of a novel fluorescence microscopy with nanometer spatial resolution well beyond the diffraction limit.

  17. Single port VATS: recent developments in Asia

    PubMed Central

    Yu, Peter S.Y.; Capili, Freddie

    2016-01-01

    Single port video-assisted thoracic surgery (VATS) is the most recent evolution in minimally invasive thoracic surgery. With increasing global popularity, the single port VATS approach has been adopted by experienced thoracic surgeons in many Asian countries. From initial experience of single port VATS lobectomy to the more complex sleeve resection procedures now forming part of daily practice in some Asia institutes, the region has been the proving ground for single port VATS approaches’ feasibility and safety. In addition, certain technical refinements in single port VATS lung resection and lymph node dissection have also sprung from Asia. Novel equipment designed to facilitate single port VATS allowing further reduce access trauma are being realized by the partnership between surgeons and the industries. Advanced thoracoscopes and staplers that are narrower and more maneuverable are particularly important in the smaller habitus of patients from Asia. These and similar new generation equipment are being applied to single port VATS in novel ways. As dedicated thoracic surgeons in the region continue to striving for excellence, innovative ideas in single incision access including subxiphoid and embryonic natural-orifice transluminal endoscopic surgery (e-NOTES) have been explored. Adjunct techniques and technology used in association with single port VATS such as non-intubated surgery, hybrid operating room image guidance and electromagnetic navigational bronchoscopy are all in rapid development in Asia. PMID:27014478

  18. Single crystal diffraction studies of phase transition of minerals across Fe high-low spin transition at high pressure

    NASA Astrophysics Data System (ADS)

    Merlini, M.; Hanfland, M.

    2011-12-01

    The spin state of Fe in structure of minerals relevant for the lower mantle mineralogy, is known to undergo a high to low spin state change. This phenomena is often coupled to a remarkable volume contraction and from a structural point of view, often is associated to isosymmetrical phase transition. Recent improvements at X-Ray beamlines for diffraction at extreme conditions at synchrotron facilities allow the possibility to perform single crystal diffraction and determine crystal structure of minerals at extreme conditions, including also structural studies across first or second order phase transition. The accurate knowledge of crystal structure and of phase behaviour at high pressure is a very important step in order to: 1-understand the physical properties; 2- have an accurate experimental constraint on numerical simulation. We report here three examples of structure determination by single crystal X-Ray diffraction at extreme conditions concerning phase transition related to Fe spin state change, measured at ID09A beamline (ESRF, France). CaFe2O4 undergoes a spin transition at 50 GPa. XRD before and after indicate the symmetry and crystal structure is the same. The transition is marked by 10 % volume contraction. The use of He as pressure transmitting media strongly reduced strain induced by pressure and let the crystal survive this transition, allowing for the first time direct determination of Fe-O bond length changes related to variation of spin state. The main structural difference between high and low spin structure is simply a collapse of FeO6 polyhedra. FeCO3 has been also investigated, and the results are also compared with already present in literature. FeCO3 undergoes a transition around 45 GPa, with a remarked hysteresis. In the pressure range 20-45 however an anomalous behaviour is noticed, probably related to a different spin interaction due to reduced Fe-Fe distances. Fe1-xS pyrrhotite has been investigated in two different structure (a

  19. Mechanisms of single bubble cleaning.

    PubMed

    Reuter, Fabian; Mettin, Robert

    2016-03-01

    The dynamics of collapsing bubbles close to a flat solid is investigated with respect to its potential for removal of surface attached particles. Individual bubbles are created by nanosecond Nd:YAG laser pulses focused into water close to glass plates contaminated with melamine resin micro-particles. The bubble dynamics is analysed by means of synchronous high-speed recordings. Due to the close solid boundary, the bubble collapses with the well-known liquid jet phenomenon. Subsequent microscopic inspection of the substrates reveals circular areas clean of particles after a single bubble generation and collapse event. The detailed bubble dynamics, as well as the cleaned area size, is characterised by the non-dimensional bubble stand-off γ=d/Rmax, with d: laser focus distance to the solid boundary, and Rmax: maximum bubble radius before collapse. We observe a maximum of clean area at γ≈0.7, a roughly linear decay of the cleaned circle radius for increasing γ, and no cleaning for γ>3.5. As the main mechanism for particle removal, rapid flows at the boundary are identified. Three different cleaning regimes are discussed in relation to γ: (I) For large stand-off, 1.8<γ<3.5, bubble collapse induced vortex flows touch down onto the substrate and remove particles without significant contact of the gas phase. (II) For small distances, γ<1.1, the bubble is in direct contact with the solid. Fast liquid flows at the substrate are driven by the jet impact with its subsequent radial spreading, and by the liquid following the motion of the collapsing and rebounding bubble wall. Both flows remove particles. Their relative timing, which depends sensitively on the exact γ, appears to determine the extension of the area with forces large enough to cause particle detachment. (III) At intermediate stand-off, 1.1<γ<1.8, only the second bubble collapse touches the substrate, but acts with cleaning mechanisms similar to an effective small γ collapse: particles are removed by

  20. Single-Molecule Tracking in Living Cells Using Single Quantum Dot Applications

    PubMed Central

    Baba, Koichi; Nishida, Kohji

    2012-01-01

    Revealing the behavior of single molecules in living cells is very useful for understanding cellular events. Quantum dot probes are particularly promising tools for revealing how biological events occur at the single molecule level both in vitro and in vivo. In this review, we will introduce how single quantum dot applications are used for single molecule tracking. We will discuss how single quantum dot tracking has been used in several examples of complex biological processes, including membrane dynamics, neuronal function, selective transport mechanisms of the nuclear pore complex, and in vivo real-time observation. We also briefly discuss the prospects for single molecule tracking using advanced probes. PMID:22896768