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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. Growth, vibrational and luminescence analysis of monoclinic KGd(1-x)Prx(WO4)2 (x=0.005, 0.02, 0.05) single crystals

    NASA Astrophysics Data System (ADS)

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

    2013-01-01

    Growth of pure KGW, 0.5, 2 and 5 wt% Pr3+ doped KGd(WO4)2 single crystals were carried out using top seeded solution growth (TSSG) method with K2WO4 as flux. Growth parameters that include the cooling rate and pulling rate were modified to achieve transparent doped crystals to that of pure crystals. Optically polished samples were used for optical and structural studies. Structure of grown crystals was confirmed and lattice parameter values were calculated using single crystal X-ray diffractometer. Both pure and doped crystals belong to the monoclinic phase with C2/c space group. When compared to pure matrix of KGW, some notable changes were observed in the lattice parameter values of doped crystals. It may be due to the ionic radii mismatch of replacing praseodymium ion in the place of gadolinium ion. Absorption and emission measurements were carried out for the 2 mm thick polished samples. The doped samples show a very good transparency with an intense absorption band around the blue region of the spectrum with additional absorption peaks in the IR region as well. Strong red emission was observed in the emission spectrum. The energy levels and their corresponding transitions were figured out in Pr3+ ions inside the matrix. Emission characteristics were compared for different dopant concentration. Raman spectra reveal the intense tungstate vibrational modes in the higher frequency region. Comparison of pure and doped samples reveal that there is no significant change in vibrational modes at higher doping concentration.

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

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

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

  5. Two-photon excited fluorescence in the LYB:Eu monoclinic crystal: towards a new scheme of single-beam dual-voxel direct laser writing in crystals.

    PubMed

    Petit, Y; Royon, A; Marquestaut, N; Dussauze, M; Fargues, A; Veber, P; Jubera, V; Cardinal, T; Canioni, L

    2013-01-14

    We report on two-photon excited fluorescence in the oriented Eu(3+)doped LYB monoclinic crystal under femtosecond laser tight focusing. Due to spatial walk-off, the two polarization modes of the incident femtosecond beam simultaneously provide the independent excitation of two distinct focuses, leading to a single-beam dual-voxel nonlinear excitation of fluorescence below material modification threshold. These observations emphasize on the anisotropy of both two-photon absorption as well as fluorescence emission. They demonstrate the localized control of the nonlinear energy deposit, thanks to the adjustment of both the input power and polarization, by properly balancing the injected energy in each voxel. Such approach should be considered for future direct laser writing of waveguides in propagation directions out of the dielectric axes, so as to optimally cope with the highly probable anisotropy of laser-induced material modification thresholds in these crystals. These results open new ways for further potential developments in direct laser writing as the simultaneous inscription of double-line structures for original waveguides processes.

  6. Evidence for monoclinic distortion in the ground state phase of underdoped La1.95Sr0.05CuO4: A single crystal neutron diffraction study

    DOE PAGES

    Singh, Anar; Schefer, Jurg; Sura, Ravi; ...

    2016-03-24

    The existing controversy about the symmetry of the crystal structure of the ground state of the critical doped La1.95Sr0.05CuO4 has been resolved by analyzing the single crystal neutron diffraction data collected between 5 and 730 K. We observed small but significant intensities for "forbidden" reflections given by extinction rules of the orthorhombic Bmab space group at low temperatures. A careful investigation of neutron diffraction data reveals that the crystal structure of La1.95Sr0.05CuO4 at 5 K is monoclinic with B2/m (2/m 1 1) space group. The monoclinic structure emerges from the orthorhombic structure in a continuous way; however, the structure ismore » stable below similar to 120K which agrees with other observed phenomena. Lastly, our results on symmetry changes are crucial for the interpretation of physical properties also in other high temperature superconductors with similar structures.« less

  7. Evidence for monoclinic distortion in the ground state phase of underdoped La1.95Sr0.05CuO4: A single crystal neutron diffraction study

    SciTech Connect

    Singh, Anar; Schefer, Jurg; Sura, Ravi; Conder, Kazimierz; Sibille, Romain F.; Ceretti, Monica; Frontzek, Matthias; Paulus, Werner

    2016-03-24

    The existing controversy about the symmetry of the crystal structure of the ground state of the critical doped La1.95Sr0.05CuO4 has been resolved by analyzing the single crystal neutron diffraction data collected between 5 and 730 K. We observed small but significant intensities for "forbidden" reflections given by extinction rules of the orthorhombic Bmab space group at low temperatures. A careful investigation of neutron diffraction data reveals that the crystal structure of La1.95Sr0.05CuO4 at 5 K is monoclinic with B2/m (2/m 1 1) space group. The monoclinic structure emerges from the orthorhombic structure in a continuous way; however, the structure is stable below similar to 120K which agrees with other observed phenomena. Lastly, our results on symmetry changes are crucial for the interpretation of physical properties also in other high temperature superconductors with similar structures.

  8. Superhard monoclinic polymorph of carbon.

    PubMed

    Li, Quan; Ma, Yanming; Oganov, Artem R; Wang, Hongbo; Wang, Hui; Xu, Ying; Cui, Tian; Mao, Ho-Kwang; Zou, Guangtian

    2009-05-01

    We report a novel phase of carbon possessing a monoclinic C2/m structure (8 atoms/cell) identified using an ab initio evolutionary structural search. This polymorph, which we call M-carbon, is related to the (2x1) reconstruction of the (111) surface of diamond and can also be viewed as a distorted (through sliding and buckling of the sheets) form of graphite. It is stable over cold-compressed graphite above 13.4 GPa. The simulated x-ray diffraction pattern and near K-edge spectroscopy are in satisfactory agreement with the experimental data [W. L. Mao, Science 302, 425 (2003)10.1126/science.1089713] on overcompressed graphite. The hardness and bulk modulus of this new carbon polymorph are calculated to be 83.1 and 431.2 GPa, respectively, which are comparable to those of diamond.

  9. Superhard Monoclinic Polymorph of Carbon

    SciTech Connect

    Li, Quan; Ma, Yanming; Oganov, Artem R.; Wang, Hongbo; Wang, Hui; Xu, Ying; Cui, Tian; Mao, Ho-Kwang; Zou, Guangtian; Jilin; SBU; CIW

    2009-05-08

    We report a novel phase of carbon possessing a monoclinic C2/m structure (8 atoms/cell) identified using an ab initio evolutionary structural search. This polymorph, which we call M-carbon, is related to the (2x1) reconstruction of the (111) surface of diamond and can also be viewed as a distorted (through sliding and buckling of the sheets) form of graphite. It is stable over cold-compressed graphite above 13.4 GPa. The simulated x-ray diffraction pattern and near K-edge spectroscopy are in satisfactory agreement with the experimental data [W.L. Mao et al., Science 302, 425 (2003)] on overcompressed graphite. The hardness and bulk modulus of this new carbon polymorph are calculated to be 83.1 and 431.2 GPa, respectively, which are comparable to those of diamond.

  10. Synthetic smythite and monoclinic Fe3S4

    NASA Astrophysics Data System (ADS)

    Fleet, Michael E.

    1982-11-01

    Smythite and monoclinic Fe3S4 have been identified by X-ray diffraction procedures in quenched ironsulfide compositions. Both phases appear to be metastable under the conditions of the experiments and their development is structurally induced. Smythite occurs as a coherent twinned intergrowth with hexagonal 3C pyrrhotite. Individual single crystals contain about 50% smythite. Reciprocal lattice rows with h-k ≠ 3n show continuous diffraction streaks. The available data suggest that smythite forms via a “polytypic” displacive transformation, by the introduction of stacking faults in the hexagonal close-packed layers of S atoms in high-temperature 1C pyrrhotite. This is analogous to the transformation of 2H wurtzite to intermediate ordered and disordered ZnS layer sequences. The ideal formula of smythite appears to be Fe13S16. Monoclinic Fe3S4 ( a=5.93, b=3.42, c=10.64 Å, β=91.9°) is present in amounts up to 25% of total sulfides. It has a derivative NiAs-type structure, and is isomorphous with monoclinic Cr3S4 and Fe3Se4. It occurs as small lenticular lamellae within grains of 3C pyrrhotite, and apparently corresponds to the unidentified lamellar phase of Arnold (1962). The lamellae have a rhombohedral morphology, with a habit plane close to {1011}. In single crystal grains of pyrrhotite, monoclinic Fe3S4 in twinned in a manner consistent with transformation from high-temperature 1C pyrrhotite. Although Fe3S4 lamellae have the general appearance of plate martensite, they do not represent a diffusionless transformation.

  11. 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.

  12. 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

  13. 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.

  14. Monoclinal bending of strata over laccolithic intrusions

    USGS Publications Warehouse

    Koch, F.G.; Johnson, A.M.; Pollard, D.D.

    1981-01-01

    Sedimentary strata on top of some laccolithic intrusions are nearly horizontal and little deformed, but are bent into steeply dipping monoclinal flexures over the peripheries of these intrusions. This form of bending is not explained by previous theories of laccolithic intrusion, which predict either horizontal undeformed strata over the center and faulted strata around the periphery, or strata bent continuously into a dome. However, a slight generalization of these theories accomodates the observed form and contains the previous forms as special cases. A critical assumption is that the strength of contacts within a multilayered overburden is overcome locally by layer-parallel shear. If this strength is less than the strength of the layers themselves, then layers over the center remain bonded together and display negligible bending, whereas layers over the periphery slip over one another and are readily bent into a monoclinal flexure. ?? 1981.

  15. First-principles study of structural and elastic properties of monoclinic and orthorhombic BiMnO3.

    PubMed

    Mei, Zhi-Gang; Shang, Shun-Li; Wang, Yi; Liu, Zi-Kui

    2010-07-28

    The structural and elastic properties of BiMnO(3) with monoclinic (C 2/c) and orthorhombic (Pnma) ferromagnetic (FM) structures have been studied by first-principles calculations within LDA + U and GGA + U approaches. The equilibrium volumes and bulk moduli of BiMnO(3) phases are evaluated by equation of state (EOS) fittings, and the bulk properties predicted by LDA + U calculations are in better agreement with experiment. The orthorhombic phase is found to be more stable than the monoclinic phase at ambient pressure. A monoclinic to monoclinic phase transition is predicted to occur at a pressure of about 10 GPa, which is ascribed to magnetism versus volume instability of monoclinic BiMnO(3). The single-crystal elastic stiffness constants c(ij)s of the monoclinic and orthorhombic phases are investigated using the stress-strain method. The c(46) of the monoclinic phase is predicted to be negative. In addition, the polycrystalline elastic properties including bulk modulus, shear modulus, Young's modulus, bulk modulus-shear modulus ratio, Poisson's ratio, and elastic anisotropy ratio are determined based on the calculated elastic constants. The presently predicted phase transition and elastic properties open new directions for investigation of the phase transitions in BiMnO(3), and provide helpful guidance for the future elastic constant measurements.

  16. Local twin domains and tip-voltage-induced domain switching of monoclinic MC phase in Pb(Mg1/3Nb2/3)O3-0.34PbTiO3 single crystal revealed by piezoresponse force microscopy

    DOE PAGES

    Wang, Ruixue; Yang, Bin; Luo, Zhenlin; ...

    2016-08-29

    Here, the monoclinic (M) phases in high-performance relaxor-based ferroelectric single crystals have been recognized to be a vital structural factor for the outstanding piezoelectric property. However, due to the complexity of the structure in M phases, the understanding about it is still limited. In this paper, the local twin domains and tip-voltage-induced domain switching of the MC phase in Pb(Mg1/3Nb2/3)O3 - 0.34PbTiO3 (PMN-0.34PT) single crystal have been intensively investigated by piezoresponse force microscopy (PFM). By theoretically analyzing the experimental patterns of domain walls on the (001)C face, the specific MC twin domains in the initial annealed state of a selectedmore » area have been clarified, and the polarization orientation of the MC phase in this sample is determined to be at an angle of 29 degrees to the < 001 > C directions. In addition, based on the evolution of domains and the motion of domain walls under the step-increased PFM tip dc voltage (Vdc), the switching process and features of different types of MC domain variants are visually revealed« less

  17. Local twin domains and tip-voltage-induced domain switching of monoclinic MC phase in Pb (M g1 /3N b2 /3) O3-0.34 PbTi O3 single crystal revealed by piezoresponse force microscopy

    NASA Astrophysics Data System (ADS)

    Wang, Ruixue; Yang, Bin; Luo, Zhenlin; Sun, Enwei; Sun, Yuan; Xu, Han; Zhao, Jiangtao; Zheng, Limei; Zhou, Hua; Gao, Chen; Cao, Wenwu

    2016-08-01

    The monoclinic (M) phases in high-performance relaxor-based ferroelectric single crystals have been recognized to be a vital structural factor for the outstanding piezoelectric property. However, due to the complexity of the structure in M phases, the understanding about it is still limited. In this paper, the local twin domains and tip-voltage-induced domain switching of the MC phase in Pb (M g1 /3N b2 /3) O3-0.34 PbTi O3 (PMN-0.34PT) single crystal have been intensively investigated by piezoresponse force microscopy (PFM). By theoretically analyzing the experimental patterns of domain walls on the (001) C face, the specific MC twin domains in the initial annealed state of a selected area have been clarified, and the polarization orientation of the MC phase in this sample is determined to be at an angle of 29∘ to the <001> C directions. In addition, based on the evolution of domains and the motion of domain walls under the step-increased PFM tip dc voltage (Vdc), the switching process and features of different types of MC domain variants are visually revealed.

  18. Microstructural characterization and optical properties of green emitting hexagonal and monoclinic CePO4:Tb3+ nanocrystals

    NASA Astrophysics Data System (ADS)

    Sisira, S.; Alexander, Dinu; Thomas, Kukku; Vimal, G.; Mani, Kamal P.; Biju, P. R.; Unnikrishnan, N. V.; Joseph, Cyriac

    2017-02-01

    Green emitting CePO4:Tb3+ nanocrystals with hexagonal and monoclinic structures were successfully synthesized through microwave assisted sol gel method. The variation observed in the powder XRD pattern from that of bulk is explained using HRTEM analysis in relation with the preferential growth in distinct directions to form nanorods. The results obtained from the microstructural characterization of the hexagonal and monoclinic CePO4:Tb3+nanocrystals are successfully correlated with the single crystal data of CePO4 for the first time in accordance with the single crystal growth theory. FTIR spectrum of the CePO4 nanocrystals evidenced the splitting of fundamental vibrations of phosphate group in the nine fold coordination of lanthanide atoms and confirmed the low symmetry of monoclinic structure than the hexagonal system. The diminishing intensity of terbium emission in the hexagonal structure than the monoclinic structured CePO4:Tb3+ nanocrystals is explained in relation with the lattice symmetry. The high intensity green emission due to the strong 5D4–7F5 transition in monoclinic CePO4:Tb3+ nanocrystals make it as a potential candidate for optoelectronic applications.

  19. 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.

  20. 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.

  1. 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.

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

    DOE PAGES

    Li, Chen W.; Smith, Hillary L.; Lan, Tian; ...

    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

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data.

    PubMed

    Chernyshev, Vladimir V; Shkavrov, Sergey V; Paseshnichenko, Ksenia A; Puryaeva, Tamara P; Velikodny, Yurii A

    2013-03-01

    The crystal structures of the monoclinic and triclinic polymorphs of zoledronic acid, C5H10N2O7P2, have been established from laboratory powder X-ray diffraction data. The molecules in both polymorphs are described as zwitterions, namely 1-(2-hydroxy-2-phosphonato-2-phosphonoethyl)-1H-imidazol-3-ium. Strong intermolecular hydrogen bonds (with donor-acceptor distances of 2.60 Å or less) link the molecules into layers, parallel to the (100) plane in the monoclinic polymorph and to the (1-10) plane in the triclinic polymorph. The phosphonic acid groups form the inner side of each layer, while the imidazolium groups lie to the outside of the layer, protruding in opposite directions. In both polymorphs, layers related by translation along [100] interact through weak hydrogen bonds (with donor-acceptor distances greater than 2.70 Å), forming three-dimensional layered structures. In the monoclinic polymorph, there are hydrogen-bonded centrosymmetric dimers linked by four strong O-H...O hydrogen bonds, which are not present in the triclinic polymorph.

  8. Monoclinic pseudosymmetry in 2-phenoxybenzenesulfonamide, a triclinic structure having Z' = 4, and spontaneous resolution in monoclinic N-methyl-2-phenoxybenzenesulfonamide.

    PubMed

    Glidewell, Christopher; Low, John N; Skakle, Janet M S; Wardell, James L

    2004-05-01

    2-Phenoxybenzenesulfonamide, C(12)H(11)NO(3)S, (I), crystallizes in space group P-1 with Z' = 4, but the structure closely mimics the monoclinic space group P2(1)/b with Z' = 2. The molecules of (I) are linked by a combination of N-H...O and C-H...O hydrogen bonds into two independent chains of centrosymmetric edge-fused R(2)(2)(18) and R(6)(6)(34) rings. N-Methyl-2-phenoxybenzenesulfonamide, C(13)H(13)NO(3)S, (II), crystallizes in space group P2(1) with Z' = 1, and is an example of spontaneous resolution. The molecules are linked by N-H...O and C-H...O hydrogen bonds into chains of spiro-fused R(2)(2)(12) rings, and these chains are linked into sheets by a single C-H...pi(arene) hydrogen bond.

  9. Conformal Domain Miniaturization and Adaptive Monoclinic (Pseudo-orthorhombic) Ferroelectric States

    NASA Astrophysics Data System (ADS)

    Jin, Y. M.; Wang, Yu; Khachaturyan, A. G.; Li, J. F.; Viehland, D.

    2003-08-01

    Ferroelectric and ferroelastic phases with very low domain wall energies have been shown to form miniaturized microdomain structures. A theory of an adaptive ferroelectric phase has been developed to predict the microdomain-averaged crystal lattice parameters of this structurally inhomogeneous state. The theory is an extension of conventional martensite theory, applied to ferroelectric systems with very low domain wall energies. The cases of ferroelectric microdomains of tetragonal (FEt) symmetry are considered. It is shown that a nano-scale coherent mixture of microdomains can be interpreted as an adaptive ferroelectric phase, whose microdomain-averaged crystal lattice is monoclinic. The crystal lattice parameters of this monoclinic phase are self-adjusting parameters, which minimize the transformation stress. Self-adjustment is achieved by application of the invariant plane strain (IPS) to the parent cubic lattice, and the value of the self-adjusted parameters constitutes a mixture of the lattice constants of the parent and product phases. Experimental investigations of Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMN-PT) and Pb(Zn1/3Nb2/3)O3-PbTiO3 (PZN-PT) single crystals confirm many of the predictions of this theory.

  10. Low-temperature magnetic properties of monoclinic pyrrhotite with particular relevance to the Besnus transition

    NASA Astrophysics Data System (ADS)

    Volk, Michael W. R.; Gilder, Stuart A.; Feinberg, Joshua M.

    2016-12-01

    Monoclinic pyrrhotite (Fe7S8) owes its ferrimagnetism to an ordered array of Fe vacancies. Its magnetic properties change markedly around 30 K, in what is known as the Besnus transition. Plausible explanations for the Besnus transition are either due to changes in crystalline anisotropy from a transformation in crystal symmetry or from the establishment of a two-phase system with magnetic interaction between the two phases. To help resolve this discrepancy, we measured hysteresis loops every 5° and backfield curves every 10° in the basal plane of an oriented single crystal of monoclinic pyrrhotite at 300 K and every 2 K from 50 K through the Besnus transition until 20 K. Between 50 and 30 K, hysteresis loops possess double inflections between crystallographic a-axes and only a single inflection parallel to the a-axes. Magnetization energy calculations and relative differences of the loops show a sixfold symmetry in this temperature range. We propose that the inflections stem from magnetic axis switching, which is both field and temperature dependent, in a manner somewhat analogous to an isotropic point where magnetocrystalline constants change their sign. The Besnus transition is best characterized by changes in magnetic remanence and coercivity over a 6° temperature span (28-34 K) with a maximum rate of change at 30 K. A surprising yet puzzling finding is that the coercivity ratio becomes less than unity below the transition when fourfold symmetry arises. Because the changes in magnetic parameters are linked to the crystal structure, we conclude the Besnus transition owes its origin to a distortion of the crystallographic axes below 30 K rather than an apparition of a two-phase system. An isothermal magnetization of natural pyrrhotite cycled from room temperature to successively lower temperatures through the Besnus transition decreases 2-4 times less than equivalent grain sizes of magnetite, with less than a 10 per cent loss in remanence between 300 and 150 K

  11. Unique Piezoelectric Properties of the Monoclinic Phase in Pb(Zr,Ti)O_{3} Ceramics: Large Lattice Strain and Negligible Domain Switching.

    PubMed

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

    2016-01-15

    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)O_{3} 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 d_{33} and the transverse strain constant d_{31} 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.

  12. 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.

  13. 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

  14. 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.

  15. 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

    2013-12-03

    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.

  16. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

    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.

  18. 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

  19. Identification of monoclinic θ-phase dispersoids in a 6061 aluminium alloy

    NASA Astrophysics Data System (ADS)

    Buchanan, Karl; Ribis, Joël; Garnier, Jérôme; Colas, Kimberly

    2016-04-01

    Intermetallic dispersoids play an important role in controlling the 6xxx alloy series' grain distribution and increasing the alloy's toughness. The dispersoid distribution in a 6061 aluminium alloy (Al-Mg-Si) was analysed by transmission electron microscopy, selected area diffraction and energy-dispersive X-ray spectroscopy. The dispersoids had three unique crystal structures: simple cubic ?, body-centred cubic ? and monoclinic (C2/m). While the SC and BCC dispersoids have been well characterized in the literature, a detailed analysis of monoclinic dispersoids has not been presented. Therefore, the current work discusses the chemical composition, crystal structure and morphology of the monoclinic dispersoids.

  20. [Vibrational spectra of monoclinic diphosphates of formula AMP2O7].

    PubMed

    Serghini Idrissi, M; Rghioui, L; Nejjar, R; Benarafa, L; Saidi Idrissi, M; Lorriaux, A; Wallart, F

    2004-07-01

    The monoclinic pyrophosphates with AMP2O7 formula were synthesized. Their infrared and Raman spectra have been reported and analysed. The results of a force field calculation for CaCuP2O7 are presented.

  1. 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)).

  2. Compositional limits and analogs of monoclinic triple-chain silicates

    NASA Astrophysics Data System (ADS)

    Jenkins, David M.; Gilleaudeau, Geoffrey J.; Kawa, Cynthia; Dibiase, Jaclyn M.; Fokin, Maria

    2012-08-01

    Growing recognition of triple-chain silicates in nature has prompted experimental research into the conditions under which they can form and the extent of solid solution that is feasible for some key chemical substitutions. Experiments were done primarily in the range of 0.1-0.5 GPa and 200-850 °C for durations of 18-1,034 h. A wide range of bulk compositions were explored in this study that can be classified broadly into two groups: those that are Na free and involve various possible chemical substitutions into jimthompsonite (Mg10Si12O32(OH)4), and those that are Na bearing and involve chemical substitutions into the ideal end-member Na4Mg8Si12O32(OH)4. Numerous attempts to synthesize jimthompsonite or clinojimthompsonite were unsuccessful despite the type of starting material used (reagent oxides, magnesite + SiO2, talc + enstatite, or anthophyllite). Similarly, the chemical substitutions of F- for OH-, Mn2+, Ca2+, or Fe2+ for Mg2+, and 2Li+ for Mg2+ and a vacancy were unsuccessful at nucleating triple-chain silicates. Conversely, nearly pure yields of monoclinic triple-chain silicate could be made at temperatures of 440-630 °C and 0.2 GPa from the composition Na4Mg8Si12O32(OH)4, as found in previous studies, though its composition is most likely depleted in Na as evidenced by electron microprobe and FTIR analysis. Pure yields of triple-chain silicate were also obtained for the F-analog composition Na4Mg8Si12O32F4 at 550-750 °C and 0.2-0.5 GPa if a flux consisting of Na-halide salt and water in a 2:1 ratio by weight was used. In addition, limited chemical substitution could be documented for the substitutions of 2 Na+ for Na+ + H+ and of Mg2+ + vacancy for 2Na+. For the former, the Na content appears to be limited to 2.5 cations giving the ideal composition of Na2.5Mg8Si12O30.5(OH)5.5, while for the latter substitution the Na content may go as low as 1.1 cations giving the composition Na1.1Mg9.4Si12O31.9(OH)4.1 based on a fixed number of Si cations. Further

  3. Mechanics of monoclinal systems in the Colorado Plateau during the Laramide orogeny

    NASA Astrophysics Data System (ADS)

    Yin, An

    1994-11-01

    Monoclines developed in the Colorado Plateau region during the Laramide orogeny are divided into western and eastern groups by a broad NNW trending antiform through the central part of the plateau. In the western group the major monoclines verge to the east, whereas in the eastern group the major monoclines verge to the west. Paleogeographic reconstruction based on paleocurrent indicators and sedimentary facies distribution suggests that the broad antiform was developed during the Laramide orogeny and was coeval with the formation of the monoclines in the plateau. This relationship implies that the monoclines were drag folds verging towards the center of the plateau as a response to the antiformal warping of the plateau. To simulate the warping of the plateau region and the stress distribution that produced the variable trends of the monoclines, an elastic thin plate model considering in-plane stress was developed. This model assumes that (1) sedimentation in the Laramide basins provided vertical loading along the edge of the plateau region, (2) frictional sliding was operating along the Laramide faults on the northern and eastern boundaries, and (3) the greatest regional compressive stress was oriented in the N 60 deg E direction and was applied uniformly along the western and southwestern sides of the plateau. Buoyancy due to instantaneous isostatic adjustment of crustal thickening or magmatic addition was also considered. The result of the model suggests that the frictional strength of the Uinta thrust system on the northern side of the plateau is at least 2 times greater than that along the Park Range and Sangre de Cristo thrust systems on the eastern side of the plateau in order to explain the observed monoclinal trends and the warping pattern within the plateau during the Laramide orogeny.

  4. A simple and low-cost combustion method to prepare monoclinic VO2 with superior thermochromic properties.

    PubMed

    Cao, Ziyi; Xiao, Xiudi; Lu, Xuanming; Zhan, Yongjun; Cheng, Haoliang; Xu, Gang

    2016-12-15

    In this approach, the VO2 nanoparticles have been successfully fabricated via combusting the low-cost precursor solution consisted of NH4VO3, C2H6O2 and C2H5OH. By the XRD, TEM and XPS analysis, it can be found that the synthetic monoclinic VO2 is single crystal and no impurity is defined. After dispersing the VO2 nanoparticles into the polymer, the solar modulation of VO2-based composite film is up to 12.5% with luminous transmission and haze around 62.2% and 0.5%, respectively. In other words, the composite films show high performance of thermochromic properties. This could open an efficient way to fabricate low-cost and large-scale VO2 (M) nanoparticles and thermochromic films.

  5. A simple and low-cost combustion method to prepare monoclinic VO2 with superior thermochromic properties

    NASA Astrophysics Data System (ADS)

    Cao, Ziyi; Xiao, Xiudi; Lu, Xuanming; Zhan, Yongjun; Cheng, Haoliang; Xu, Gang

    2016-12-01

    In this approach, the VO2 nanoparticles have been successfully fabricated via combusting the low-cost precursor solution consisted of NH4VO3, C2H6O2 and C2H5OH. By the XRD, TEM and XPS analysis, it can be found that the synthetic monoclinic VO2 is single crystal and no impurity is defined. After dispersing the VO2 nanoparticles into the polymer, the solar modulation of VO2-based composite film is up to 12.5% with luminous transmission and haze around 62.2% and 0.5%, respectively. In other words, the composite films show high performance of thermochromic properties. This could open an efficient way to fabricate low-cost and large-scale VO2 (M) nanoparticles and thermochromic films.

  6. A simple and low-cost combustion method to prepare monoclinic VO2 with superior thermochromic properties

    PubMed Central

    Cao, Ziyi; Xiao, Xiudi; Lu, Xuanming; Zhan, Yongjun; Cheng, Haoliang; Xu, Gang

    2016-01-01

    In this approach, the VO2 nanoparticles have been successfully fabricated via combusting the low-cost precursor solution consisted of NH4VO3, C2H6O2 and C2H5OH. By the XRD, TEM and XPS analysis, it can be found that the synthetic monoclinic VO2 is single crystal and no impurity is defined. After dispersing the VO2 nanoparticles into the polymer, the solar modulation of VO2-based composite film is up to 12.5% with luminous transmission and haze around 62.2% and 0.5%, respectively. In other words, the composite films show high performance of thermochromic properties. This could open an efficient way to fabricate low-cost and large-scale VO2 (M) nanoparticles and thermochromic films. PMID:27976748

  7. 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.

  8. Monoclinic nanodomains in morphotropic phase boundary Pb(Mg1/3Nb2/3)O3-PbTiO3

    NASA Astrophysics Data System (ADS)

    Sato, Y.; Hirayama, T.; Ikuhara, Y.

    2014-02-01

    Crystalline structure is a fundamental characteristic of many materials, and drastic changes in properties may accompany crystal phase transitions. A prominent example of this is the morphotropic phase boundary of (Pb(Mg1/3Nb2/3)O3-PbTiO3) single crystal, a region that exhibits a high piezoelectric effect. Although the highest piezoelectricity is often attributed to a monoclinic crystal phase, formation of ferroelectric nanodomains (NDs) complicates understanding of this crystal structure. In this Letter, we report dedicated transmission electron microscopy and electron diffraction analysis to understand the crystal structure at the ND level. Splitting of diffraction spots, caused by very small lattice distortion in the NDs, is important to understanding crystal structure and has been unambiguously observed. The results can be explained by monoclinic phase NDs. Combining these results with our previous findings on ND dynamics [Sato et al. Phys. Rev. Lett. 107, 187601 (2011)], monoclinic NDs can potentially make a considerable contribution to the piezoelectricity in these materials.

  9. Microstructure, bioactivity and osteoblast behavior of monoclinic zirconia coating with nanostructured surface.

    PubMed

    Wang, Guocheng; Meng, Fanhao; Ding, Chuanxian; Chu, Paul K; Liu, Xuanyong

    2010-03-01

    A monoclinic zirconia coating with a nanostructural surface was prepared on the Ti-6Al-4V substrate by an atmospheric plasma-spraying technique, and its microstructure and composition, as well as mechanical and biological properties, were investigated to explore potential application as a bioactive coating on bone implants. X-ray diffraction, transmission electron microscopy, scanning electron microscopy and Raman spectroscopy revealed that the zirconia coating was composed of monoclinic zirconia which was stable at low temperature, and its surface consists of nano-size grains 30-50 nm in size. The bond strength between the coating and the Ti-6Al-4V substrate was 48.4 + or - 6.1 MPa, which is higher than that of plasma-sprayed HA coatings. Hydrothermal experiments indicated that the coating was stable in a water environment and the phase composition and Vickers hardness were independent of the hydrothermal treatment time. Bone-like apatite is observed to precipitate on the surface of the coating after soaking in simulated body fluid for 6 days, indicating excellent bioactivity in vitro. The nanostructured surface composed of monoclinic zirconia is believed to be crucial to its bioactivity. Morphological observation and the cell proliferation test demonstrated that osteoblast-like MG63 cells could attach to, adhere to and proliferate well on the surface of the monoclinic zirconia coating, suggesting possible applications in hard tissue replacements.

  10. On the relation between steep monoclinal flexure zones and steep hydraulic gradients.

    PubMed

    Yechieli, Y; Kafri, U; Wollman, S; Lyakhovsky, V; Weinberger, R

    2007-01-01

    Steep hydraulic gradients are found in association with steep monoclinal flexures. However, the physics of the reduction of the hydraulic conductivity, which is responsible for the steep gradients, has seldom been studied. We present results of hydrological and mechanical modeling aiming to study the effect of such steep hydraulic gradients demonstrated in the Judea Group Aquifer system, Israel. The hydrological configuration of steep dips and anisotropy between flows parallel and perpendicular to the bedding planes was simulated using the FEFLOW code. It exhibited a situation whereby part of the flow is oblique to the bedding planes and therefore some steepening of the hydraulic gradients occurred due to actual conductivity reduction. However, this reduction is not enough to account for the steeper gradients observed. The effect of a deep-seated reverse fault under the monocline on the permeability distribution within the structure was examined by numerical mechanical simulations. It exhibited a compressional stress distribution in the steep part of the monocline, which, due to shortening and closure of joints and voids, is presumably responsible for a significant pressure-induced permeability reduction. This process by itself in a layered structure, including interlayering of thin marl layers, could be responsible for the steep hydraulic gradients in the steep part of the monocline.

  11. 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.

  12. Structure and magnetism of low-doped monoclinic crystals of (Ga{sub 1-x}Mn{sub x}){sub 2}Se{sub 3}

    SciTech Connect

    Dubinin, S. F. Maksimov, V. I.; Parkhomenko, V. D.

    2011-12-15

    The influence that doping with Mn{sup 3+} ions has on the fine crystal structure of the monoclinic compound Ga{sub 2}Se{sub 3} was studied by single-crystal neutron diffraction and the measurements of magnetic properties. It was found that the structural state of the crystals changes even at relatively low doping levels (x = 0.04). Local Jahn-Teller distortions were shown to be responsible for the formation of the fine structure and magnetism in this type of compounds.

  13. 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.

  14. Fabrication and photoelectrocatalytic properties of nanocrystalline monoclinic BiVO4 thin-film electrode.

    PubMed

    Zhou, Bin; Qu, Jiuhui; Zhao, Xu; Liu, Huijuan

    2011-01-01

    Monoclinic bismuth vanadate (BiVO4) thin film was fabricated on indium-tin oxide glass from an amorphous heteronuclear complex via dip-coating. After annealation at 400, 500, and 600 degrees C, the thin films were characterized by X-ray diffraction, field emission scanning electron microscopy, X-ray photoelectron spectroscopy, and UV-Vis spectrophotometry. The BiVO4 particles on the ITO glass surface had a monoclinic structure. The UV-Visible diffuse reflection spectra showed the BiVO4 thin film had photoabsorption properties, with a band gap around 2.5 eV. In addition, the thin film showed high visible photocatalytic activities towards 2,4-dichlorophenol and Bisphenol A degradation under visible light irradiation (lambda > 420 nm). Over 90% of the two organic pollutants were removed in 5 hr. A possible degradation mechanism of 2,4-dichlorophenol were also studied.

  15. 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.

  16. 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.

  17. 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.

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

    DOE PAGES

    Mariette, Céline; Guérin, Laurent; Rabiller, Philippe; ...

    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

  19. Remarkable features in lattice-parameter ratios of crystals. II. Monoclinic and triclinic crystals.

    PubMed

    de Gelder, R; Janner, A

    2005-06-01

    The frequency distributions of monoclinic crystals as a function of the lattice-parameter ratios resemble the corresponding ones of orthorhombic crystals: an exponential component, with more or less pronounced sharp peaks, with in general the most important peak at the ratio value 1. In addition, the distribution as a function of the monoclinic angle beta has a sharp peak at 90 degrees and decreases sensibly at larger angles. Similar behavior is observed for the three triclinic angular parameters alpha, beta and gamma, with characteristic differences between the organic and metal-organic, bio-macromolecular and inorganic crystals, respectively. The general behavior observed for the hexagonal, tetragonal, orthorhombic, monoclinic and triclinic crystals {in the first part of this series [de Gelder & Janner (2005). Acta Cryst. B61, 287-295] and in the present case} is summarized and commented. The data involved represent 366 800 crystals, with lattice parameters taken from the Cambridge Structural Database, CSD (294 400 entries), the Protein Data Bank, PDB (18 800 entries), and the Inorganic Crystal Structure Database, ICSD (53 600 entries). A new general structural principle is suggested.

  20. Evaluation of physicochemical properties, and antimicrobial efficacy of monoclinic sulfur-nanocolloid

    NASA Astrophysics Data System (ADS)

    Roy Choudhury, Samrat; Mandal, Amrita; Chakravorty, Dipankar; Gopal, Madhuban; Goswami, Arunava

    2013-04-01

    Stable nanocolloids of monoclinic sulfur (β-SNPs) were prepared through `water-in-oil microemulsion technique' at room temperature after suitable modifications of the surface. The morphology (rod shaped; 50 nm in diameter) and allotropic nature (monoclinic) of the SNPs were investigated with Transmission Electron Microscopy and X-ray Diffraction technique. The surface modification, colloidal stability, and surface topology of β-SNPs were evaluated with Fourier Transform Infrared Spectroscopy, zeta potential analysis, and Atomic Force Microscopy. Thermal decomposition pattern of these nanosized particles was determined by Thermo Gravimetric Analysis (TGA). β-SNPs-colloids expressed excellent antimicrobial activities against a series of fungal and bacterial isolates with prominent deformities at their surface. In contrast, insignificant cytotoxicity was achieved against the human derived hepatoma (HepG2) cell line upon treatment with β-SNPs. A simultaneous study was performed to determine the stock concentration of β-SNP-colloids using a novel high phase liquid chromatographic method. Cumulative results of this study hence, elucidate the stabilization of nanosized monoclinic sulfur at room temperature and their potential antimicrobial efficacy over micron-sized sulfur.

  1. Metastable monoclinic ZnMoO4: hydrothermal synthesis, optical properties and photocatalytic performance.

    PubMed

    Lv, Li; Tong, Wenming; Zhang, Yanbing; Su, Yiguo; Wang, Xiaojing

    2011-11-01

    Metastable monoclinic ZnMoO4 was successfully synthesized via a hydrothermal route with variation of reaction temperatures and time at pH value of 5.7. Systematic sample characterizations were carried out, including X-ray powder diffraction, scanning electron microscopy, Fourier transformed infrared spectra, UV-visible diffuse reflectance spectra, and photoluminescence spectra. The results show that all as-prepared ZnMoO4 samples were demonstrated to crystallize in a pure-phase of monoclinic wolframite structure. All samples were formed in plate-like morphology. Six IR active vibrational bands were observed in the wave number range of 400-900 cm(-1). The band gap of as-prepared ZnMoO4 was estimated to be 2.86 eV by Tauc equation. Photoluminescence measurement indicates that as-prepared ZnMoO4 exhibits a broad blue-green emission under excitation wavelength of 280 nm at room temperature. Photocatalytic activity of as-prepared ZnMoO4 was examined by monitoring the degradation of methyl orange dye in an aqueous solution under UV radiation of 365 nm. The as-prepared ZnMoO4 obtained at 180 degrees C for 40 h showed the best photocatalytic activity with completing degradation of MO in irradiation time of 120 min. Consequently, monoclinic ZnMoO4 proved to be an efficient near visible light photocatalyst.

  2. Coordinate-Invariant Lyddane-Sachs-Teller Relationship for Polar Vibrations in Materials with Monoclinic and Triclinic Crystal Systems.

    PubMed

    Schubert, Mathias

    2016-11-18

    A coordinate-invariant generalization of the Lyddane-Sachs-Teller relation is presented for polar vibrations in materials with monoclinic and triclinic crystal systems. The generalization is derived from an eigendielectric displacement vector summation approach, which is equivalent to the microscopic Born-Huang description of polar lattice vibrations in the harmonic approximation. An expression for a general oscillator strength is also described for materials with monoclinic and triclinic crystal systems. A generalized factorized form of the dielectric response characteristic for monoclinic and triclinic materials is proposed. The generalized Lyddane-Sachs-Teller relation is found valid for monoclinic β-Ga_{2}O_{3}, where accurate experimental data became available recently from a comprehensive generalized ellipsometry investigation [Phys. Rev. B 93, 125209 (2016)]. Data for triclinic crystal systems can be measured by generalized ellipsometry as well, and are anticipated to become available soon and results can be compared with the generalized relations presented here.

  3. Dipole analysis of the dielectric function of color dispersive materials: Application to monoclinic Ga2O3

    NASA Astrophysics Data System (ADS)

    Sturm, C.; Schmidt-Grund, R.; Kranert, C.; Furthmüller, J.; Bechstedt, F.; Grundmann, M.

    2016-07-01

    We apply a generalized model for the determination and analysis of the dielectric function of optically anisotropic materials with color dispersion to phonon modes and show that it can also be generalized to excitonic polarizabilities and electronic band-band transitions. We take into account that the tensor components of the dielectric function within the Cartesian coordinate system are not independent of each other but are rather projections of the polarization of dipoles oscillating along directions defined by the, non-Cartesian, crystal symmetry and polarizability. The dielectric function is then composed of a series of oscillators pointing in different directions. The application of this model is exemplarily demonstrated for monoclinic (β -phase) Ga2O3 bulk single crystals. Using this model we are able to relate electronic transitions observed in the dielectric function to atomic bond directions and orbitals in the real space crystal structure. For a thin film revealing rotational domains we show that the optical biaxiality is reduced to uniaxial optical response.

  4. X-ray diffraction investigations and spectral analyses of monoclinic SmKFe(CN) 6 · 3H 2O

    NASA Astrophysics Data System (ADS)

    Mullica, D. F.; Sappenfield, E. L.; Perkins, H. O.

    1989-02-01

    Single-crystal and powder X-ray diffraction data, X-ray fluorescence and thermal gravimetric analyses, conoscopic results, and infrared spectral data are presented for SmKFe(CN) 6 · 3H 2O. The compound crystallizes in the monoclinic space group {P2 1}/{m} (No. 11), a = 7.329(2), b = 13.689(4), c = 7.324(3) Å, β = 119.97(3)°, Z = 2, Dm = 2.37(1) Mg m -3, and Dx = 2.376 Mg m -3. Final least-squares full-matrix refinement yielded R = 0.0574 and Rw = 0.0568 for 2138 unique reflections. The samarium ion is nine-coordinated forming a tricapped trigonal prism geometry. The octahedral FeC 6 groups are linked to the SmN 6(H 2O) 3 groups by cyanide bridging. The coordinated water molecules occupy general positions at two-thirds occupancy. The uncoordinated water molecule and the potassium ion (each at 0.5 occupancy) occupy holes in the structure. Important mean bond distances are: SmN = 2.478(5); SmO = 2.678(4); FeC = 1.899(5); and CN = 1.156(3) Å.

  5. Ultrasound assisted synthesis of monoclinic structured spindle BiVO4 particles with hollow structure and its photocatalytic property.

    PubMed

    Liu, Wei; Cao, Lixin; Su, Ge; Liu, Haisong; Wang, Xiangfei; Zhang, Lan

    2010-04-01

    Bismuth vanadate (BiVO(4)) spindle particles with monoclinic scheelite structure have been successfully synthesized via a facile sonochemical method. The as-prepared BiVO(4) photocatalyst exhibited a hollow interior structure constructed from the self-assembly of cone shape primary nanocrystals. A possible oriented attachment growth mechanism has been proposed based on the results of time-dependent experiments, which indicates the formation of spindle particles is mainly attributed to the phase transformation procedure induced by ultrasound irradiation. A series of morphology evolutions of BiVO(4) from compact microspheres, to hollow microspheres, and then to spindle particles have been arrested in the process of sonochemical treatment. Optical absorption experiments revealed the BiVO(4) spindle had strong absorption in the visible light region. A much higher photocatalytic activity of these spindle particles was found in comparison with the SSR-BiVO(4) material for degradation of rhodamine-B under visible light irradiation, which may be ascribed to its special single-crystalline nanostructure.

  6. 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.

  7. Structure of a monoclinic polymorph of human carbonic anhydrase II with a doubled a axis

    SciTech Connect

    Robbins, Arthur H.; Domsic, John F.; Agbandje-McKenna, Mavis; McKenna, Robert

    2010-05-01

    The crystal structure of human carbonic anhydrase II with a doubled a axis from that of the usually observed monoclinic cell has been determined and refined to 1.4 Å resolution. The two molecules comprising the asymmetric unit are related by a noncrystallographic translation of ½ along a, but one of the molecules has two alternate orientations related by a rotation of approximately 2°. The crystal structure of human carbonic anhydrase II with a doubled a axis from that of the usually observed monoclinic unit cell has been determined and refined to 1.4 Å resolution. The diffraction data with h = 2n + 1 were systematically weaker than those with h = 2n. Consequently, the scaling of the data, structure solution and refinement were challenging. The two molecules comprising the asymmetric unit are related by a noncrystallographic translation of ½ along a, but one of the molecules has two alternate positions related by a rotation of approximately 2°. This rotation axis is located near the edge of the central β-sheet, causing a maximum distance disparity of 1.7 Å between equivalent atoms on the diametrically opposite side of the molecule. The crystal-packing contacts are similar to two sequential combined unit cells along a of the previously determined monoclinic unit cell. Abnormally high final R{sub cryst} and R{sub free} values (20.2% and 23.7%, respectively) are not unusual for structures containing pseudo-translational symmetry and probably result from poor signal to noise in the weak h-odd data.

  8. 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.

  9. Instantaneous band gap collapse in photoexcited monoclinic VO2 due to photocarrier doping.

    PubMed

    Wegkamp, Daniel; Herzog, Marc; Xian, Lede; Gatti, Matteo; Cudazzo, Pierluigi; McGahan, Christina L; Marvel, Robert E; Haglund, Richard F; Rubio, Angel; Wolf, Martin; Stähler, Julia

    2014-11-21

    Using femtosecond time-resolved photoelectron spectroscopy we demonstrate that photoexcitation transforms monoclinic VO2 quasi-instantaneously into a metal. Thereby, we exclude an 80 fs structural bottleneck for the photoinduced electronic phase transition of VO2. First-principles many-body perturbation theory calculations reveal a high sensitivity of the VO2 band gap to variations of the dynamically screened Coulomb interaction, supporting a fully electronically driven isostructural insulator-to-metal transition. We thus conclude that the ultrafast band structure renormalization is caused by photoexcitation of carriers from localized V 3d valence states, strongly changing the screening before significant hot-carrier relaxation or ionic motion has occurred.

  10. Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis.

    PubMed

    Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle

    2016-02-01

    Pure monoclinic calcium pyrophosphate dihydrate (m-CPPD) has been synthesized and characterized by synchrotron powder X-ray diffraction and neutron diffraction. Rietveld refinement of complementary diffraction data has, for the first time, allowed the crystal structure of m-CPPD to be solved. The monoclinic system P2(1)/n was confirmed and unit-cell parameters determined: a = 12.60842 (4), b = 9.24278 (4), c = 6.74885 (2) Å and β = 104.9916 (3)°. Neutron diffraction data especially have allowed the precise determination of the position of H atoms in the structure. The relationship between the m-CPPD crystal structure and that of the triclinic calcium pyrophosphate dihydrate (t-CPPD) phase as well as other pyrophosphate phases involving other divalent cations are discussed by considering the inflammatory potential of these phases and/or their involvement in different diseases. These original structural data represent a key step in the understanding of the mechanisms of crystal formation involved in different types of arthritis and to improve early detection of calcium pyrophosphate (CPP) phases in vivo.

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

    USGS Publications Warehouse

    Jackson, J.C.; Horton, J.W.; 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.

  12. Lithostratigraphy and geochemistry of Upper Vendian‒Lower Cambrian deposits in the northeastern Baltic monocline

    NASA Astrophysics Data System (ADS)

    Podkovyrov, V. N.; Maslov, A. V.; Kuznetsov, A. B.; Ershova, V. B.

    2017-01-01

    The results of investigations of Upper Vendian‒Lower Cambrian deposits in the northeastern part of the Baltic monocline specify views on the evolution of depositional environments of sedimentary successions constituting the basal part of the sedimentary cover in inner areas of the northwestern East European Platform. It is shown that the Late Vendian and initial Cambrian were characterized by the consecutive influx of relatively mature terrigenous detrital material that originated from both the weathering crust of the Baltic Shield and new sources. Its deposition was interrupted by notable, although likely asynchronous, hiatuses, which are registered at the base of the Upper Vendian Vasileostrovskaya and Voronkovo formations and Lower Cambrian Lomonosov Formation. In the Late Vendian, sedimentary material was transported from the Baltic Shield, while beginning from the initial Early Cambrian the additional contribution to the formation of the sedimentary cover of the Baltic monocline was provided by coarse-grained sedimentary material from the Timan margin of the Baltica as follows from U‒Pb isotopic ages obtained for detrital zircons. At the same time, lithogeochemical parameters of fine-grained rocks experienced no substantial changes.

  13. Conduction band topology and optical properties of monoclinic ZrO_2

    NASA Astrophysics Data System (ADS)

    Freeman, A. J.; Medvedeva, J. E.; Geller, C. B.

    2004-03-01

    Zirconia is an attractive base material for a wide variety of optical applications, on account of its high refractive index, large band gap and low optical loss. We report highly precise density functional theory calculations on pure, monoclinic zirconia employing the self-consistent screened exchange local-density approximation(R. Asahi, W. Mannstadt, A. J. Freeman, Phys. Rev. B) 59, 7486 (1999) (sX-LDA) with the full-potential linearized augmented plane wave (FLAPW) method(E. Wimmer, H. Krakauer, M. Weinert, A.J. Freeman, Phys. Rev. B) 24, 864 (1981). The sX-LDA substantially reduces the overbinding error in the LDA resulting in a more accurate description of the band gap and excited states in semiconductors(C.B. Geller er al), Appl. Phys. Lett. 79, 368 (2001) and insulators (this work). The predicted sX-LDA indirect band gap of monoclinic ZrO2 is 5.7 eV, in agreement with experiment. The effects of carrier concentration on the effective masses and optical properties of zirconia are discussed.

  14. 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.

  15. 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.

  16. Electronic structure and optical properties of monoclinic clinobisvanite BiVO4.

    PubMed

    Zhao, Zongyan; Li, Zhaosheng; Zou, Zhigang

    2011-03-14

    Monoclinic clinobisvanite bismuth vanadate is an important material with wide applications. However, its electronic structure and optical properties are still not thoroughly understood. Density functional theory calculations were adopted in the present work, to comprehend the band structure, density of states, and projected wave function of BiVO(4). In particular, we put more emphasis upon the intrinsic relationship between its structure and properties. Based on the calculated results, its molecular-orbital bonding structure was proposed. And a significant phenomenon of optical anisotropy was observed in the visible-light region. Furthermore, it was found that its slightly distorted crystal structure enhances the lone-pair impact of Bi 6s states, leading to the special optical properties and excellent photocatalytic activities.

  17. A second monoclinic polymorph of (E)-phen­yl(pyridin-2-yl)methanone oxime

    PubMed Central

    Rodríguez-Mora, Monserrath I.; Reyes-Martínez, Reyna; Flores-Alamo, Marcos; García, Juventino J.; Morales-Morales, David

    2013-01-01

    The title compound, C12H10N2O, a second monoclinic poly­morph of (E)-phen­yl(pyridin-2-yl)methanone oxime crystallizes in the space group P21/n (Z = 4). The previously reported polymorph [Taga et al. (1990 ▶). Acta Cryst. C46, 2241–2243] occurs in the space group C2/c (Z = 8). In the crystal, pairs of bifurcated O—H⋯(N,O) hydrogen bonds link the mol­ecules into inversion dimers. The dimers are linked by C—H⋯π inter­actions, forming a linear arrangement. The dihedral angle between the pyridine and phenyl rings is 67.70 (8)°. PMID:23424575

  18. Calculation of thermodynamic, electronic, and optical properties of monoclinic Mg2NiH4

    SciTech Connect

    Myers, W.R.; Richardson, T.J.; Rubin, M.D.; Wang, L-W.

    2001-10-01

    Ab initio total-energy density functional theory is used to investigate the low temperature (LT) monoclinic form of Mg2NiH4. The calculated minimum energy geometry of LT Mg2NiH4 is close to that determined from neutron diffraction data, and the NiH4 complex is close to a regular tetrahedron. The enthalpies of the phase change to high temperature (HT) pseudo-cubic Mg2NiH4 and of hydrogen absorption by Mg2Ni are calculated and compared with experimental values. LT Mg2NiH4 is found to be a semiconductor with an indirect band gap of 1.4 eV. The optical dielectric function of LT Mg2NiH4 differs somewhat from that of the HT phase. A calculated thin film transmittance spectrum is consistent with an experimental spectrum.

  19. Local twin domains and tip-voltage-induced domain switching of monoclinic MC phase in Pb(Mg1/3Nb2/3)O3-0.34PbTiO3 single crystal revealed by piezoresponse force microscopy

    SciTech Connect

    Wang, Ruixue; Yang, Bin; Luo, Zhenlin; Sun, Enwei; Sun, Yuan; Xu, Han; Zhao, Jiangtao; Zheng, Limei; Zhou, Hua; Gao, Chen; Cao, Wenwu

    2016-08-29

    Here, the monoclinic (M) phases in high-performance relaxor-based ferroelectric single crystals have been recognized to be a vital structural factor for the outstanding piezoelectric property. However, due to the complexity of the structure in M phases, the understanding about it is still limited. In this paper, the local twin domains and tip-voltage-induced domain switching of the MC phase in Pb(Mg1/3Nb2/3)O3 - 0.34PbTiO3 (PMN-0.34PT) single crystal have been intensively investigated by piezoresponse force microscopy (PFM). By theoretically analyzing the experimental patterns of domain walls on the (001)C face, the specific MC twin domains in the initial annealed state of a selected area have been clarified, and the polarization orientation of the MC phase in this sample is determined to be at an angle of 29 degrees to the < 001 > C directions. In addition, based on the evolution of domains and the motion of domain walls under the step-increased PFM tip dc voltage (Vdc), the switching process and features of different types of MC domain variants are visually revealed

  20. Structural evolution and electrochemistry of monoclinic NaNiO2 upon the first cycling process

    NASA Astrophysics Data System (ADS)

    Han, Man Huon; Gonzalo, Elena; Casas-Cabanas, Montse; Rojo, Teófilo

    2014-07-01

    Electrochemistry and structural evolution of monoclinic NaNiO2 as a cathode material for Na-ion battery is reported. The initial charge capacity reached 160 mA h g-1 and the following discharge capacity of 114.6 mA h g-1, within the voltage range of 4.0-1.5 V at C/10. The multiple phase transition leading to O‧3, P‧3, P″3, O″3, and O‴3 stacking types (NaNiO2, Na0.91NiO2, Na0.84NiO2, Na0.81NiO2 and Na0.79NiO2 transitions, respectively, according to a previous report) during the 1st charge/discharge process is analysed using ex situ and in situ XRD techniques, and the stoichiometry of each phase is herein revised. The charge/discharge profile shows a highly reversible nature of the cathode, except that fully sodiated phase could not be achieved at the subsequent discharge. Two new phases have been discovered: a monoclinic O3 structure (designated as O⁗3) at the beginning of the charge (and end of discharge) and a P3 structure (designated as P‴3) at 3.38 V that appeared only during the charge process. The composition of the new O⁗3-phase corresponds to Na0.83NiO2, which is the closest to the fully sodiated phase at room temperature achieved during the discharge process reported up to date, and the composition of the new P‴3-phase corresponds approximately to Na0.50NiO2.

  1. 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.

  2. Investigation of the femtosecond optical limiting properties of monoclinic copper niobate

    NASA Astrophysics Data System (ADS)

    Priyadarshani, N.; Venugopal Rao, S.; Sabari Girisun, T. C.

    2016-10-01

    Investigation of the third-order nonlinear optical properties and optical limiting behaviour of microstructured monoclinic phase copper niobate (CuNb2O6) was performed by the Z-scan technique using femtosecond laser pulses (800 nm, 150 fs, 80 MHz). CuNb2O6 was synthesized by solid-state reaction at a sintering temperature of 700 °C maintained at different times of 3, 6, 9 and 12 h. Formation of rods at higher reaction time of 12 h was observed and is attributed to the mass transport and coalescence processes. From the absorption tail of UV-Vis spectrum, the optical band gap was estimated to be 3.5 eV. In the fluorescence spectra, blue emission was observed near 430 nm and was assigned to the charge transfer from oxygen to central niobium of Nb-O6 octahedra. Open-aperture Z-scan data demonstrated the presence of nonlinear absorption in copper niobate and are ascribed to two-photon absorption process. Closed-aperture data indicated a sign reversal in nonlinear refraction as the sintering time increased. Third-order nonlinear optical coefficients were estimated, and the largest coefficient was observed for the rod-structured CuNb2O6. Copper niobate exhibited optical limiting behaviour, and the limiting threshold was found to be lowest for microrod structures (~0.21 µJ/cm2). Due to the top-notch third-order nonlinear optical coefficients and excellent limiting behaviour, monoclinic copper niobate microrods can be used as a potential material for utilization as an optical limiter for femtosecond pulses.

  3. Crystal structure of 8-hy-droxy-quinoline: a new monoclinic polymorph.

    PubMed

    Castañeda, Raúl; Antal, Sofia A; Draguta, Sergiu; Timofeeva, Tatiana V; Khrustalev, Victor N

    2014-09-01

    In an attempt to grow 8-hy-droxy-quinoline-acetamino-phen co-crystals from equimolar amounts of conformers in a chloro-form-ethanol solvent mixture at room temperature, the title compound, C9H7NO, was obtained. The mol-ecule is planar, with the hy-droxy H atom forming an intra-molecular O-H⋯N hydrogen bond. In the crystal, mol-ecules form centrosymmetric dimers via two O-H⋯N hydrogen bonds. Thus, the hy-droxy H atoms are involved in bifurcated O-H⋯N hydrogen bonds, leading to the formation of a central planar four-membered N2H2 ring. The dimers are bound by inter-molecular π-π stacking [the shortest C⋯C distance is 3.2997 (17) Å] and C-H⋯π inter-actions into a three-dimensional framework. The crystal grown represents a new monoclinic polymorph in the space group P21/n. The mol-ecular structure of the present monoclinic polymorph is very similar to that of the ortho-rhom-bic polymorph (space group Fdd2) studied previously [Roychowdhury et al. (1978 ▶). Acta Cryst. B34, 1047-1048; Banerjee & Saha (1986 ▶). Acta Cryst. C42, 1408-1411]. The structures of the two polymorphs are distinguished by the different geometries of the hydrogen-bonded dimers, which in the crystal of the ortho-rhom-bic polymorph possess twofold axis symmetry, with the central N2H2 ring adopting a butterfly conformation.

  4. 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.

  5. Influence of the monoclinic and tetragonal zirconia phases on the water gas shift reaction. A theoretical study.

    PubMed

    Cerón, María Luisa; Herrera, Barbara; Araya, Paulo; Gracia, Francisco; Toro-Labbé, Alejandro

    2013-07-01

    We present a theoretical study of the water gas shift reaction taking place on zirconia surfaces modeled by monoclinic and tetragonal clusters. In order to understand the charge transfer between the active species, in this work we analyze the influence of the geometry of monoclinic and tetragonal zirconia using reactivity descriptors such as electronic chemical potential (μ), charge transfer (ΔN) and molecular hardness (η). We have found that the most preferred surface is tetragonal zirconia (tZrO2) indicating also that low charge transfer systems will generate less stable intermediates, that will allow to facilitate desorption process.

  6. Ferroelectric Self-Poling, Switching, and Monoclinic Domain Configuration in BiFeO 3 Thin Films

    DOE PAGES

    Beekman, C.; Siemons, W.; Chi, M.; ...

    2016-05-23

    Self-poling of ferroelectric films, i.e., a preferred, uniform direction of the ferroelectric polarization in as-grown samples is often observed yet poorly understood despite its importance for device applications. The multiferroic perovskite BiFeO3, which crystallizes in two distinct structural polymorphs depending on applied epitaxial strain, is well known to exhibit self-poling. This study investigates the effect of self-poling on the monoclinic domain configuration and the switching properties of the two polymorphs of BiFeO3 (R' and T') in thin films grown on LaAlO3 substrates with slightly different La0.3Sr0.7MnO3 buffer layers. Our study shows that the polarization state formed during the growth actsmore » as “imprint” on the polarization and that switching the polarization away from this self-poled direction can only be done at the expense of the sample's monoclinic domain configuration. We observed reduction of the monoclinic domain size and found that it was largely reversible; hence, the domain size is restored when the polarization is switched back to its original orientation. This is a direct consequence of the growth taking place in the polar phase (below Tc). Finally, switching the polarization away from the preferred configuration, in which defects and domain patterns synergistically minimize the system's energy, leads to a domain state with smaller (and more highly strained and distorted) monoclinic domains.« less

  7. 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

    2013-12-03

    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).

  8. Phonon instability and pressure-induced isostructural semiconductor-semimetal transition of monoclinic V O2

    NASA Astrophysics Data System (ADS)

    He, Huabing; Gao, Heng; Wu, Wei; Cao, Shixun; Hong, Jiawang; Yu, Dehong; Deng, Guochu; Gao, Yanfeng; Zhang, Peihong; Luo, Hongjie; Ren, Wei

    2016-11-01

    Recent experiments have revealed an intriguing pressure-induced isostructural transition of the low temperature monoclinic V O2 and hinted to the existence of a new metallization mechanism in this system. The physics behind this isostructural phase transition and the metallization remains unresolved. In this work, we show that the isostructural transition is a result of pressure-induced instability of a phonon mode that relates to a CaC l2 -type of rotation of the oxygen octahedra, which alleviates, but does not completely remove, the dimerization and zigzagging arrangement of V atoms in the M1 phase. This phonon mode shows an increasing softening with pressure, ultimately leading to an isostructural phase transition characterized by the degree of the rotation of the oxygen octahedra. We also find that this phase transition is accompanied by an anisotropic compression, in excellent agreement with experiments. More interestingly, in addition to the experimentally identified M1' phase, we find a closely related M1 '' phase, which is nearly degenerate with the M1 ' phase. Unlike the M1 ' phase, which has a nearly pressure-independent electronic band gap, the gap of the M1 '' drops quickly at high pressures and vanishes at a theoretical pressure of about 40 GPa.

  9. Controlled synthesis and formation mechanism of monodispersive lanthanum vanadate nanowires with monoclinic structure

    SciTech Connect

    Tian, Li; Sun, Qiliang; Xu, Xijun; Li, Yaolin; Long, Yunfei; Zhu, Guangshan

    2013-04-15

    Monodisperse LaVO{sub 4} nanowires with relatively high aspect ratio larger than 50 have been prepared by a one-step solvothermal synthesis. This method provides a simple, inexpensive, controllable and reproducible process to produce LaVO{sub 4} nanowires with an average diameter of 15 nm and a high aspect ratio. The as-synthesized products have been characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and fast Fourier transform spectroscopy (FFT), indicative of a well-crystalline monoclinic structure and ascendant nanowire-morphology. The formation mechanism is suggested that oriented attachment plays a vital role in the growth of LaVO{sub 4} nanowires, which recommends a favorable route to fabricate similar morphological and structural nanometer materials. - Graphical abstract: The formation of LaVO{sub 4} nanowires is attributed to oriented attachment, a combination of nanocrystallites through their suitable surface planes, that is, with the same crystallographic orientations of [−120]. Highlights: ► Monodisperse LaVO{sub 4} nanowires with high aspect ratio have been prepared solvothermally without any templates. ► The morphology and structure of LaVO{sub 4} nanowires were characterized by XRD, SEM, TEM techniques. ► The formation mechanism of LaVO{sub 4} nanowires is suggested that oriented attachment plays a vital role.

  10. Synthesis of monoclinic IrTe2 under high pressure and its physical properties

    SciTech Connect

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

    2015-10-12

    In a pressure-temperature (P-T) diagram for synthesizing IrTe2 compounds, the well-studied trigonal (H) phase with the CdI2-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. Here, we report that a rarely studied monoclinic (M) phase can be stabilized in narrow ranges of pressure and temperature in this P-T diagram. Moreover, the peculiar crystal structure of the M-IrTe2 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 Ir1-xTe2. Finally, we present magnetic and transport properties and specific heat of the M-IrTe2 can be fully justified by calculations with the density-functional theory.

  11. 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.

  12. Monoclinic structured BiVO4 nanosheets: hydrothermal preparation, formation mechanism, and coloristic and photocatalytic properties.

    PubMed

    Zhang, Li; Chen, Dairong; Jiao, Xiuling

    2006-02-16

    Bismuth vanadate (BiVO(4)) nanosheets have been hydrothermally synthesized in the presence of sodium dodecyl benzene sulfonate (SDBS) as a morphology-directing template. The nanosheets were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM) equipped with an X-ray energy dispersive spectrometer (EDS), X-ray photoelectron spectroscopy (XPS), IR spectroscopy, transmission electron microscopy (TEM), and high-resolution TEM (HR-TEM). The BiVO(4) nanosheets had a monoclinic structure, were ca. 10-40 nm thick, and showed a preferred (010) surface orientation. The formation mechanism and the effects of reaction temperature and time on the products were investigated. UV-visible diffuse reflection spectra indicated that the BiVO(4) nanosheets had outstanding spectral selectivity and improved color properties compared with the corresponding bulk materials. Furthermore, the nanosheets showed good visible photocatalytic activities as determined by degradation of N,N,N',N'-tetraethylated rhodamine (RB) under solar irradiation.

  13. Ab initio prediction of superdense tetragonal and monoclinic polymorphs of carbon

    SciTech Connect

    Li, Zhen -Zhen; Wang, Jian -Tao; Xu, Li -Fang; Chen, Changfeng

    2016-11-02

    The design and synthesis of three-dimensional denser carbons are one of the hot issues in condensed matter physics because of their fascinating properties. Here we identify by ab initio calculations several tetragonal and monoclinic polymorphs of carbon that adopt the t32, t32*, m32, and m32* structures in P4¯21c, P43212, P21/c, and C2 symmetry, respectively. These carbon polymorphs have large 32-atom unit cells in all-sp3 bonding networks comprising five- and six-membered rings that are dynamically stable, as verified by a phonon mode analysis. Electronic band structure calculations show that they are insulators with band gaps in the range of 5.19–5.41 eV, close to the calculated band gap of 5.34 eV for diamond. Remarkably, these carbon phases possess an extremely high atom number density exceeding that of diamond. Lastly, the present results establish different types of carbon phases and offer insights into their outstanding structural and electronic properties.

  14. Ab initio prediction of superdense tetragonal and monoclinic polymorphs of carbon

    DOE PAGES

    Li, Zhen -Zhen; Wang, Jian -Tao; Xu, Li -Fang; ...

    2016-11-02

    The design and synthesis of three-dimensional denser carbons are one of the hot issues in condensed matter physics because of their fascinating properties. Here we identify by ab initio calculations several tetragonal and monoclinic polymorphs of carbon that adopt the t32, t32*, m32, and m32* structures in P4¯21c, P43212, P21/c, and C2 symmetry, respectively. These carbon polymorphs have large 32-atom unit cells in all-sp3 bonding networks comprising five- and six-membered rings that are dynamically stable, as verified by a phonon mode analysis. Electronic band structure calculations show that they are insulators with band gaps in the range of 5.19–5.41 eV,more » close to the calculated band gap of 5.34 eV for diamond. Remarkably, these carbon phases possess an extremely high atom number density exceeding that of diamond. Lastly, the present results establish different types of carbon phases and offer insights into their outstanding structural and electronic properties.« less

  15. New monoclinic phase at the composition Cu2SnSe3 and its thermoelectric properties.

    PubMed

    Fan, Jing; Carrillo-Cabrera, Wilder; Akselrud, Lev; Antonyshyn, Iryna; Chen, Lidong; Grin, Yuri

    2013-10-07

    A new monoclinic phase (m2) of ternary diamond-like compound Cu2SnSe3 was synthesized by reaction of the elements at 850 K. The crystal structure of m2-Cu2SnSe3 was determined through electron diffraction tomography and refined by full-profile techniques using synchrotron X-ray powder diffraction data (space group Cc, a = 6.9714(2) Å, b = 12.0787(5) Å, c = 13.3935(5) Å, β = 99.865(5)°, Z = 8). Thermal analysis and annealing experiments suggest that m2-Cu2SnSe3 is a low-temperature phase, while the high-temperature phase has a cubic crystal structure. According to quantum chemical calculations, m2-Cu2SnSe3 is a narrow-gap semiconductor. A study of the chemical bonding, applying the electron localizability approach, reveals covalent polar Cu-Se and Sn-Se interactions in the crystal structure. Thermoelectric properties were measured on a specimen consolidated using spark plasma sintering (SPS), confirming the semiconducting character. The thermoelectric figure of merit ZT reaches a maximum value of 0.33 at 650 K.

  16. 13C NMR chemical shifts of the triclinic and monoclinic crystal forms of valinomycin.

    PubMed

    Kameda, Tsunenori; McGeorge, Gary; Orendt, Anita M; Grant, David M

    2004-07-01

    Two different crystalline polymorphs of valinomycin, the triclinic and monoclinic forms, have been studied by high resolution, solid state (13)C CP-MAS NMR spectroscopy. Although the two polymorphs of the crystal are remarkably similar, there are distinct differences in the isotropic chemical shifts between the two spectra. For the triclinic form, the carbon chemical shift tensor components for the alpha carbons adjacent to oxygen in the lactic acid and hydroxyisovaleric acid residues and the ester carbonyls of the valine residue were obtained using the FIREMAT experiment. From the measured components, it was found that the behavior of the isotropic chemical shift, delta(iso), for valine residue ester carbonyl carbons is predominately influenced by the intermediate component, delta(22). Additionally it was found that the smallest shift component, delta(33), for the L -lactic acid ( L -Lac) and D -alpha-hydroxyisovaleric acid ( D -Hyi) C(alpha)-O carbon was significantly displaced depending upon the nature of individual amino acid residues, and it is the delta(33) component that governs the behavior of delta(iso) in these alpha carbons.

  17. Monoclinic high-pressure polymorph of AlOOH predicted from first principles

    NASA Astrophysics Data System (ADS)

    Zhong, Xin; Hermann, Andreas; Wang, Yanchao; Ma, Yanming

    2016-12-01

    Aluminum oxide hydroxide, AlOOH, is a prototypical hydrous mineral in the geonomy. The study of the high-pressure phase evolution of AlOOH is of fundamental importance in helping to understand the role of hydrous minerals in the water storage and transport in Earth, as in other planets. Here, we have systematically investigated the high-pressure phase diagram of AlOOH up to 550 GPa using the efficient crystal structure analysis by particle swarm optimization (CALYPSO) algorithm in conjunction with first principles calculations. We predict a peculiar monoclinic phase (space group P 21/c , 16 atoms/cell, Z =4 ) as the most stable phase for AlOOH above 340 GPa. The occurrence of this new phase results in the breakup of symmetric linear O-H-O hydrogen bonds into asymmetric, bent O-H-O linkages and in sevenfold coordinated metal cations. The new P 21/c phase turns out to be a universal high-pressure phase in group 13 oxide hydroxides, and stable for both compressed GaOOH and InOOH. The formation of the new phase in all compounds is favored by volume reduction due to denser packing.

  18. 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.

  19. Synthesis of monoclinic IrTe2 under high pressure and its physical properties

    DOE PAGES

    Li, X.; Yan, J. -Q.; Singh, D. J.; ...

    2015-10-12

    In a pressure-temperature (P-T) diagram for synthesizing IrTe2 compounds, the well-studied trigonal (H) phase with the CdI2-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. Here, we report that a rarely studied monoclinic (M) phase can be stabilized in narrow ranges of pressure and temperature in this P-T diagram. Moreover, the peculiar crystal structure of the M-IrTe2 eliminates the tendency tomore » 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 Ir1-xTe2. Finally, we present magnetic and transport properties and specific heat of the M-IrTe2 can be fully justified by calculations with the density-functional theory.« less

  20. Monoclinic polymorph of poly[aqua(μ4-hydrogen tartrato)sodium

    PubMed Central

    Al-Dajani, Mohammad T. M.; Abdallah, Hassan H.; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun

    2010-01-01

    A monoclinic polymorph of the title compound, [Na(C4H5O6)(H2O)]n, is reported and complements an ortho­rhom­bic form [Kubozono, Hirano, Nagasawa, Maeda & Kashino (1993 ▶). Bull. Chem. Soc. Jpn, 66, 2166–2173]. The asymmetric unit contains a hydrogen tartrate anion, an Na+ cation and a water mol­ecule. The Na+ ion is surrounded by seven O atoms derived from one independent and three symmetry-related hydrogen tartrate anions, and a water mol­ecule, forming a distorted penta­gonal–bipyramidal geometry. Independent units are linked via a pair of inter­molecular bifurcated O—H⋯O acceptor bonds, generating an R 2 1(6) ring motif to form polymeric two-dimensional arrays parallel to the (100) plane. In the crystal packing, the arrays are linked by adjacent ring motifs, together with additional inter­molecular O—H⋯O inter­actions, into a three-dimensional network. PMID:21579620

  1. Monoclinic polymorph of poly[aqua(μ(4)-hydrogen tartrato)sodium].

    PubMed

    Al-Dajani, Mohammad T M; Abdallah, Hassan H; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun

    2010-01-09

    A monoclinic polymorph of the title compound, [Na(C(4)H(5)O(6))(H(2)O)](n), is reported and complements an ortho-rhom-bic form [Kubozono, Hirano, Nagasawa, Maeda & Kashino (1993 ▶). Bull. Chem. Soc. Jpn, 66, 2166-2173]. The asymmetric unit contains a hydrogen tartrate anion, an Na(+) cation and a water mol-ecule. The Na(+) ion is surrounded by seven O atoms derived from one independent and three symmetry-related hydrogen tartrate anions, and a water mol-ecule, forming a distorted penta-gonal-bipyramidal geometry. Independent units are linked via a pair of inter-molecular bifurcated O-H⋯O acceptor bonds, generating an R(2) (1)(6) ring motif to form polymeric two-dimensional arrays parallel to the (100) plane. In the crystal packing, the arrays are linked by adjacent ring motifs, together with additional inter-molecular O-H⋯O inter-actions, into a three-dimensional network.

  2. Ab initio prediction of superdense tetragonal and monoclinic polymorphs of carbon

    NASA Astrophysics Data System (ADS)

    Li, Zhen-Zhen; Wang, Jian-Tao; Xu, Li-Fang; Chen, Changfeng

    2016-11-01

    The design and synthesis of three-dimensional denser carbons are one of the hot issues in condensed matter physics because of their fascinating properties. Here we identify by ab initio calculations several tetragonal and monoclinic polymorphs of carbon that adopt the t 32 , t 32* , m 32 , and m 32* structures in P 4 ¯21c , P 43212 , P 21/c , and C 2 symmetry, respectively. These carbon polymorphs have large 32-atom unit cells in all-s p3 bonding networks comprising five- and six-membered rings that are dynamically stable, as verified by a phonon mode analysis. Electronic band structure calculations show that they are insulators with band gaps in the range of 5.19-5.41 eV, close to the calculated band gap of 5.34 eV for diamond. Remarkably, these carbon phases possess an extremely high atom number density exceeding that of diamond. The present results establish different types of carbon phases and offer insights into their outstanding structural and electronic properties.

  3. 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.

  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. 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.

  6. Cooperative effect of monoclinic distortion and sinusoidal modulation in the martensitic structure of Ni 2FeGa

    NASA Astrophysics Data System (ADS)

    Lu, J. B.; Yang, H. X.; Tian, H. F.; Zeng, L. J.; Ma, C.; Feng, L.; Wu, G. H.; Li, J. Q.; Jansen, J.

    2010-02-01

    The structural features of the "5M" martensitic phase in Ni 2FeGa alloys have been determined by electron diffraction using the multi-slice least-squares (MSLS) method. The results demonstrate that the "5M" phase contains an evident cooperative effect of monoclinic distortion and sinusoidal modulation along the [110] c direction. Theoretical simulations based on our refined data suggest that the "5M" martensitic phase observed in Ni-Fe-Ga and Ni-Mn-Ga has visible common behaviors in both stacking sequence and local structural distortion. Considering the cooperative effect of monoclinic distortion and sinusoidal modulation, we demonstrate that the "7M" martensitic phase could adopt two equivalent structural phases corresponding with the stacking sequences of (43-)2 and (52-)2, respectively.

  7. Ferroelectric Self-Poling, Switching, and Monoclinic Domain Configuration in BiFeO 3 Thin Films

    SciTech Connect

    Beekman, C.; Siemons, W.; Chi, M.; Balke, N.; Howe, J. Y.; Ward, T. Z.; Maksymovych, P.; Budai, J. D.; Tischler, J. Z.; Xu, R.; Liu, W.; Christen, H. M.

    2016-05-23

    Self-poling of ferroelectric films, i.e., a preferred, uniform direction of the ferroelectric polarization in as-grown samples is often observed yet poorly understood despite its importance for device applications. The multiferroic perovskite BiFeO3, which crystallizes in two distinct structural polymorphs depending on applied epitaxial strain, is well known to exhibit self-poling. This study investigates the effect of self-poling on the monoclinic domain configuration and the switching properties of the two polymorphs of BiFeO3 (R' and T') in thin films grown on LaAlO3 substrates with slightly different La0.3Sr0.7MnO3 buffer layers. Our study shows that the polarization state formed during the growth acts as “imprint” on the polarization and that switching the polarization away from this self-poled direction can only be done at the expense of the sample's monoclinic domain configuration. We observed reduction of the monoclinic domain size and found that it was largely reversible; hence, the domain size is restored when the polarization is switched back to its original orientation. This is a direct consequence of the growth taking place in the polar phase (below Tc). Finally, switching the polarization away from the preferred configuration, in which defects and domain patterns synergistically minimize the system's energy, leads to a domain state with smaller (and more highly strained and distorted) monoclinic domains.

  8. 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

  9. Petrology of Karoo volcanic rocks in the southern Lebombo monocline, Mozambique

    NASA Astrophysics Data System (ADS)

    Melluso, Leone; Cucciniello, Ciro; Petrone, Chiara M.; Lustrino, Michele; Morra, Vincenzo; Tiepolo, Massimo; Vasconcelos, Lopo

    2008-11-01

    The Karoo volcanic sequence in the southern Lebombo monocline in Mozambique contains different silicic units in the form of pyroclastic rocks, and two different basalt types. The silicic units in the lower part of the Lebombo sequence are formed by a lower unit of dacites and rhyolites (67-80 wt.% SiO 2) with high Ba (990-2500 ppm), Zr (800-1100 ppm) and Y (130-240 ppm), which are part of the Jozini-Mbuluzi Formation, followed by a second unit, interlayered with the Movene basalts, of high-SiO 2 rhyolites (76-78 wt.%; the Sica Beds Formation), with low Sr (19-54 ppm), Zr (340-480 ppm) and Ba (330-850 ppm) plus rare quartz-trachytes (64-66 wt.% SiO 2), with high Nb and Rb contents (240-250 and 370-381 ppm, respectively), and relatively low Zr (450-460 ppm). The mafic rocks found at the top of the sequence are basalts and ferrobasalts belonging to the Movene Formation. The basalts have roughly flat mantle-normalized incompatible element patterns, with abundances of the most incompatible elements not higher than 25 times primitive mantle. The ferrobasalt has TiO 2 ˜ 4.7 wt.%, Fe 2O 3t = 16 wt.%, and high Y (100 ppm), Zr (420 ppm) and Ba (1000 ppm). The Movene basalts have initial (at 180 Ma) 87Sr/ 86Sr = 0.7052-0.7054 and 143Nd/ 144Nd = 0.51232, and the Movene ferrobasalt has even lower 87Sr/ 86Sr (0.70377) and higher 143Nd/ 144Nd (0.51259). The silicic rocks show a modest range of initial Sr-( 87Sr/ 86Sr = 0.70470-0.70648) and Nd-( 143Nd/ 144Nd = 0.51223-0.51243) isotope ratios. The less evolved dacites could have been formed after crystal fractionation of oxide-rich gabbroic cumulates from mafic parental magmas, whereas the most silica-rich rhyolites could have been formed after fractional crystallization of feldspars, pyroxenes, oxides, zircon and apatite from a parental dacite magma. The composition of the Movene basalts imply different feeding systems from those of the underlying Sabie River basalts.

  10. 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)

  11. 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.

  12. 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.

  13. Half analytical method with application to the high order Laue zone effects in monoclinic and triclinic crystals.

    PubMed

    Cai, Can Ying; Zeng, Song Jun; Liu, Hong Rong; Yang, Qi Bin

    2008-10-01

    The simulation of the high order Laue zone (HOLZ) diffractions of monoclinic and triclinic crystals is a very complicated problem. The conventional multislice (MS) method suffers from the problem of infinity of the phase grating size. To avoid the difficulty of the infinity, Chen et al. arranged the phase grating plane along the ab plane of the crystal lattice. In this paper we introduce a new method which allows the incident and exit wavefunction planes perpendicular to the zone axis without the difficulty of infinity. We name the method half analytical method. The results calculated by half analytical method are in good agreement with those calculated by the conventional MS method.

  14. 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.

  15. 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.

  16. Nanoscale monoclinic domains in epitaxial SrRuO{sub 3} thin films deposited by pulsed laser deposition

    SciTech Connect

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

    2014-07-14

    In this paper, we analyze the structural distortions observed by transmission electron microscopy in thin epitaxial SrRuO{sub 3} layers used as bottom electrodes in multiferroic coatings onto SrTiO{sub 3} substrates for future multiferroic devices. Regardless of the nature and architecture of the multilayer oxides deposited on the top of the SrRuO{sub 3} thin films, selected area electron diffraction patterns systematically revealed the presence of faint diffraction spots appearing in forbidden positions for the SrRuO{sub 3} 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 SrRuO{sub 3} 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 RuO{sub 6} octahedra. A further confirmation of the origin of the forbidden diffraction spots comes from the simulated diffraction patterns obtained from a monoclinic disordered SrRuO{sub 3} structure.

  17. Ab initio calculation of electron-phonon coupling in monoclinic β-Ga2O3 crystal

    NASA Astrophysics Data System (ADS)

    Ghosh, Krishnendu; Singisetti, Uttam

    2016-08-01

    The interaction between electrons and vibrational modes in monoclinic β-Ga2O3 is theoretically investigated using ab-initio calculations. The large primitive cell of β-Ga2O3 gives rise to 30 phonon modes all of which are taken into account in transport calculation. The electron-phonon interaction is calculated under density functional perturbation theory and then interpolated using Wannier-Fourier interpolation. The long-range interaction elements between electrons and polar optical phonon (POP) modes are calculated separately using the Born effective charge tensor. The direction dependence of the long-range POP coupling in a monoclinic crystal is explored and is included in the transport calculations. Scattering rate calculations are done using the Fermi golden rule followed by solving the Boltzmann transport equation using the Rode's method to estimate low field mobility. A room temperature mobility of 115 cm2/V s is observed. Comparison with recent experimentally reported mobility is done for a wide range of temperatures (30 K-650 K). It is also found that the POP interaction dominates the electron mobility under low electric field conditions. The relative contribution of the different POP modes is analyzed and the mode 21 meV POP is found to have the highest impact on low field electron mobility at room temperature.

  18. Magnetic structure and orbital ordering in tetragonal and monoclinic KCrF(3) from first-principles calculations.

    PubMed

    Xu, Yuanhui; Hao, Xianfeng; Lv, Minfeng; Wu, Zhijian; Zhou, Defeng; Meng, Jian

    2008-04-28

    KCrF(3) has been systematically investigated by using the full-potential linearized augmented plane wave plus local orbital method within the generalized gradient approximation and the local spin density approximation plus the on-site Coulomb repulsion approach. The total energies for ferromagnetic and three different antiferromagnetic configurations are calculated in the high-temperature tetragonal and low-temperature monoclinic phases, respectively. It reveals that the ground state is the A-type antiferromagnetic in both phases. Furthermore, the ground states of the two phases are found to be Mott-Hubbard insulators with the G-type orbital ordering pattern. In addition, our calculations show the staggered orbital ordering of the 3d(x(2) ) and 3d(y(2) ) orbitals for the tetragonal phase and the 3d(z(2) ) and 3d(x(2) ) orbitals for the monoclinic phase, which is in agreement with the available data. More importantly, the relationship between magnetic structure and orbital ordering as well as the origin of the orbital ordering are analyzed in detail.

  19. 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.

  20. 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.

  1. Monoclinic β-Li2TiO3: Neutron diffraction study and estimation of Li diffusion pathways

    NASA Astrophysics Data System (ADS)

    Monchak, M.; Dolotko, O.; Mühlbauer, M. J.; Baran, V.; Senyshyn, A.; Ehrenberg, H.

    2016-11-01

    A neutron powder diffraction study on lithium titanate Li2TiO3 was performed at low temperatures. The monoclinic β-phase has been found to be stable over the whole investigated range of temperatures (4 K-300 K). A smooth and nonlinear increase of the lattice parameters has been observed upon heating and correlated to the behavior of interatomic distances. Lithium diffusion pathways in Li2TiO3 were estimated theoretically on the basis of the obtained structural data using bond-valence modeling. Experimentally diffusion pathways were evaluated by analysis of the negative nuclear scattering densities at 1073 K, which were reconstructed using a maximum entropy method. Although the bond-valence mismatch map indicated a possible Li diffusion either in ab plane or along c direction, analysis of the experimental data revealed that Li migration is thermodynamically less feasible in latter case.

  2. Electron Distributions in Hexagonal Selenium and Tellurium and Monoclinic Selenium with Dilute Impurities and Associated Nuclear Quadrupole Interactions*.

    NASA Astrophysics Data System (ADS)

    Maharjan, N. B.; Paudyal, D. D.; Mishra, D. R.; Byahut, S.; Aryal, M. M.; Cho, Hwa-Suck; Scheicher, R. H.; Chow, Lee; Jeong, Junho; Das, T. P.

    2006-03-01

    The electron structures of Selenium chains and rings with Te impurities in hexagonal and monoclinic structures respectively and Se impurities in Te chains in hexagonal lattice have been studied using Hartree-Fock cluster model including many-body effects, including lattice relaxation effects. The calculated electronic wave-functions are utilized to obtain ^77Se and ^125Te nuclear quadrupole coupling constants e^2qQ and asymmetry parameters η and compared with available experimental data from Mossbauer and perturbed angular correlation measurements. From our results, the expected nature of nuclear quadrupole interactions associated with Sb impurities will be discussed. *Supported by NSF US-Nepal Program and UGC Nepal **Also at UCF, Orlando

  3. Evidence of a minority monoclinic LaNiO2.5 phase in lanthanum nickelate thin films.

    PubMed

    López-Conesa, L; Rebled, J M; Pesquera, D; Dix, N; Sánchez, F; Herranz, G; Fontcuberta, J; Magén, C; Casanove, M J; Estradé, S; Peiró, F

    2017-03-29

    LaNiO3 (LNO) thin films of 14 nm and 35 nm thicknesses grown epitaxially on LaAlO3 (LAO) and (LaAlO3)0.3(Sr2TaAlO6)0.7 (LSAT) substrates are studied using High Resolution Transmission Electron Microscopy (HRTEM) and High Angle Annular Dark Field (HAADF) imaging. The strain state of the films is studied using Geometric Phase Analysis (GPA). Results show the successful in-plane adaptation of the films to the substrates, both in the compressive (LAO) and tensile (LSAT) cases. Through the systematic analysis of HRTEM superstructure contrast modulation along different crystal orientations, localized regions of the monoclinic LaNiO2.5 phase are detected in the 35 nm films.

  4. Density functional theory analysis of Raman frequency modes of monoclinic zirconium oxide using Gaussian basis sets and isotopic substitution.

    PubMed

    Daramola, Damilola A; Muthuvel, Madhivanan; Botte, Gerardine G

    2010-07-29

    Geometry and vibration properties for monoclinic zirconium oxide were studied using Gaussian basis sets and LDA, GGA, and B3LYP functionals. Bond angles, bond lengths, lattice parameters, and Raman frequencies were calculated and compared to experimental values. Bond angles and lengths were found to agree within experimental standard deviations. The B3LYP gave the best performance of all three functionals with a percent error of 1.35% for the lattice parameters while the average difference between experimental and calculated Raman frequency values was -3 cm(-1). The B3LYP functional was then used to assign the atomic vibrations causing each frequency mode using isotopic substitution of (93.40)Zr for (91.22)Zr and (18.00)O for (16.00)O. This resulted in seven modes assigned to the Zr atom, ten modes to the O atom, and one mode being a mixture of both.

  5. Crustal-scale thrusting and origin of the Montreal River monocline-A 35-km-thick cross section of the midcontinent rift in northern Michigan and Wisconsin

    USGS Publications Warehouse

    Cannon, W.F.; Peterman, Z.E.; Sims, P.K.

    1993-01-01

    A structurally simple, 35-km-thick, north facing stratigraphic succession of Late Archean to Middle Proterozoic rocks is exposed near the Montreal River, which forms the border between northern Wisconsin and Michigan. This structure, the Montreal River monocline, is composed of steeply dipping to vertical sedimentary rocks and flood basalts of the Keweenawan Supergroup (Middle Proterozoic) along the south limb of the Midcontinent rift, and disconformably underlying sedimentary rocks of the Marquette Range Supergroup (Early Proterozoic). These rocks lie on an Archean granite-greenstone complex, about 10 km of which is included in the monocline. This remarkable thickness of rocks appears to be essentially structurally intact and lacks evidence of tectonic thickening or repetition.Tilting to form the monocline resulted from southward thrusting on listric faults of crustal dimension. The faults responsible for the monocline are newly recognized components of a well-known regional fault system that partly closed and inverted the Midcontinent rift system. Resetting of biotite ages on the upper plate of the faults indicates that faulting and uplift occurred at about 1060 +/−20 Ma and followed very shortly after extension that formed the Midcontinent rift system.

  6. 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.

  7. Synthesis and characterization of monoclinic BiVO 4 nanorods and nanoplates via microemulsion-mediated hydrothermal method

    NASA Astrophysics Data System (ADS)

    Li, Haibin; Liu, Guocong; Chen, Shuguang; Liu, Qicheng; Lu, Weiming

    2011-05-01

    Monoclinic BiVO 4 nanorods and nanoplates were synthesized via the CTAB/water/n-butanol/n-octane microemulsion-mediated hydrothermal process. The physical and photophysical properties of the as-prepared samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), Raman spectroscopy, and UV-vis diffuse reflectance spectroscopy (UV-vis). It was found that the ratio of H 2O to CTAB in microemulsion played a key role in the morphology evolution of the products. The possible formation mechanism of BiVO 4 nanostructure with various morphologies was briefly discussed. The Raman results indicated that the symmetry distortions in the local structure of the synthesized BiVO 4 were affected by the morphology of the products. The bandgaps ( Eg) of BiVO 4 nanorods and nanoplates are 2.45 and 2.38 eV, respectively. The synthesized BiVO 4 nanoplates showed superior photocatalytic activity compared with BiVO 4 nanorods due to their higher degree of structural distortion, larger surface area, and thinness.

  8. Monoclinic Hydroxyapatite Nanoplates Hybrid Composite with Improved Compressive Strength, and Porosity for Bone Defect Repair: Biomimetic Synthesis and Characterization.

    PubMed

    Xue, Bo; Farghaly, Ahmed A; Guo, Zhenzhao; Zhao, Pengg; Li, Hong; Zhou, Changren; Li, Lihua

    2016-03-01

    Calcium phosphate cement (CPC) has been used for bone restoration despite its intrinsic fragile property. In order to enhance the CPC mechanical properties, biopolymers were introduced as filler to prepare CPC based cements. Chitosan/tetracalcium phosphate (TTCP)/dicalcium phosphate anhydrous (DCPA) based cement for bone repair has been prepared in the study. Solidification of the prepared cement was carried out in a simulate body fluid at 37 degrees C. The introduction of chitosan improved the mechanical performance of the as-prepared CPC hybrid nanocomposite. FTIR, SEM, TEM, HRTEM, XRD, and SAED were used to characterize the CPC nanocomposite. Data simulations have been performed to assist in determining the crystalline phase/s in the CPC hybrid nanocomposite. Based on the SAED, HRTEM measurements and data simulations, a monoclinic phase of hydroxyapatite (HAP) with a plate-like structure was obtained in the CPC system, which is believed to be responsible for the observed enhancement in CPC mechanical properties. The obtained composite has a biocompatibility comparable to that of commercial sample.

  9. Monoclinic Sr(1-x)Na(x)SiO(3-0.5x): new superior oxide ion electrolytes.

    PubMed

    Singh, Preetam; Goodenough, John B

    2013-07-10

    Oxide ion electrolytes determine the temperature of operation of solid oxide fuel cells, oxygen separation membranes, and oxygen sensors. There is a strong incentive to lower their operating temperatures, in a solid oxide fuel cell, for example, from Top > 800 °C to Top ≈ 500 °C. The use of low-cost Na(+) rather than K(+) as the dopant in monoclinic SrSiO3 (C12/C1) is shown to provide a larger solid solution range (0 < x ≤ 0.45) in Sr1-xNaxSiO3-0.5x and to achieve an oxide ion conductivity σo ≥ 10(-2) S·cm(-1) by 525 °C as a result of lowering the temperature of a smooth transition to full disorder of the mobile oxide ions. The Sr1-xNaxSiO3-0.5x electrolytes are much less hygroscopic than Sr1-xKxSiO3-0.5x and are stable with a nickel composite anode in 5% H2/Ar as well as with cathodes such as La1-xSrxMnO3-δ and Sr0.7Y0.3CoO3-δ in air, which makes them candidate electrolytes for intermediate-temperature solid oxide fuel cells or for other applications of oxide ion electrolytes.

  10. 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.

  11. 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

  12. On the kinetics and impact of tetragonal to monoclinic transformation in an alumina/zirconia composite for arthroplasty applications.

    PubMed

    Chevalier, Jérôme; Grandjean, Sylvie; Kuntz, Meinhard; Pezzotti, Giuseppe

    2009-10-01

    Latest trends in load-bearing materials for arthroplastic applications involve the development of highly fracture resistant alumina/zirconia composites, as an alternative choice to alumina and zirconia monolithic ceramics. Composite materials are designed from both chemical and microstructural viewpoints in order to prevent environmental degradation and fracture events in vivo, whose shadow yet hampers the full exploitation of ceramic materials in the field of arthroplasty. The aim of this paper is to evaluate the resistance to environmental degradation in an alumina/zirconia composite (Biolox Delta), which represents a primary candidate for hip and knee joint applications. Our approach consists first in the experimental determination of an activation energy value for environmentally driven tetragonal to monoclinic (t-m, henceforth) polymorphic transformation in the zirconia phase of the material; then, based on such an experimental value, a prediction is given for the long-term in vivo environmental resistance of prostheses made of the composite material. The present evaluation clarifies the in vivo performance of this new composite for orthopedic applications.

  13. Pure monoclinic La(1-x)Eu(x)PO₄ micro-/nano-structures: fast synthesis, shape evolution and optical properties.

    PubMed

    Chen, Huanhuan; Ni, Yonghong; Ma, Xiang; Hong, Jianming

    2014-08-15

    Rare-earth-doped LaPO4 crystals have been attracting considerable interest. In this work, we reported the fast syntheses of LaPO4 and Eu-doped LaPO4 crystals via a simple oil-bath route, employing La(NO3)3 and KH2PO4 as the original reactants, Eu2O3 as the dopant. The reaction was carried out in ethylene glycol system at 120°C for 30 min without any assistance of surfactants or templates. X-ray powder diffraction analyses showed that pure monoclinic LaPO4 form was obtained in the system without Eu(3+) ions, and the above phase was not changed after integrating Eu(3+) ions into LaPO4 matrix. However, electron microscopy observations discovered that the integration of Eu(3+) ions into LaPO4 matrix obviously changed the morphology and size of the final La(1-x)Eu(x)PO4 crystals. With the increase in Eu(3+) amount from 0 to 0.35, the shape of the final product varied from homogeneous egg-like nanospheroids, to irregular grains with microscales, and to homogeneous microspheroids. Also, the Eu(3+) ion content in La(1-x)Eu(x)PO4 markedly affected the photoluminescence properties of the final product. When x=0.2, the product exhibited the strongest PL emission.

  14. 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.

  15. 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.

  16. Surface, optical characteristics and photocatalytic ability of Scheelite-type monoclinic Bi3FeMo2O12 nanoparticles

    NASA Astrophysics Data System (ADS)

    Nie, Xinming; Wulayin, Wumitijiang; Song, Tingting; Wu, Minxiao; Qiao, Xuebin

    2016-11-01

    Bi3FeMo2O12 nanoparticles with the Scheelite-type monoclinic structure were prepared by the Pechini synthesis. The Bi3FeMo2O12 nanoparticle has a size of about 50 nm. The phase formation and structural characteristic were studied by X-ray diffraction (XRD) patterns and Rietveld refinements. The Scheelite framework is characterized by a superstructure constructed by the ordered arrangement of Fe/Mo tetrahedral on the B sites. The surface characteristics of Bi3FeMo2O12 nanoparticles were studied by the measurements such as the scanning electron microscope (SEM), the transmission electron microscopy (TEM), and the N2-adsorption-desorption isotherm. Bi3FeMo2O12 nanoparticles present an efficient optical absorption in a wide wavelength region from UV to 540 nm. The band gap energy was decided to be 2.3 eV and characterized by a direct allowed electronic optical transition. The photocatalytic activity of Bi3FeMo2O12 nanoparticles was confirmed by the photodegradation of the rhodamine B (RhB) dye solution. The experiments indicate that the Scheelite-type molybdate could be a potential candidate of a visible-light-driven photocatalyst.

  17. 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

  18. 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.

  19. 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.

  20. Efficient Sunlight-Induced Methylene Blue Removal over One-Dimensional Mesoporous Monoclinic BiVO(4) Nanorods.

    PubMed

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

    2012-01-01

    Sunlight-driven mesoporous BiVO(4) nanorods with monoclinic structure have been successfully synthesized via a simple hydrothermal method. The as-prepared one-dimensional BiVO(4) nanorods exhibited high specific surface area due to their unique mesoporous structure. The mesoporous BiVO(4) 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 BiVO(4) nanorods was even up to 98.8% in 180 min, much better than that prepared by solid-state reaction (23.1%) and the commercial TiO(2) (Degussa P25) (14.2%) under the same conditions, due to their higher specific surface area and appropriate band gap. Moreover, the unique BiVO(4) nanorods exhibit high stability after five photocatalytic degradation recycles.

  1. Monoclinic phase of the misfit-layered cobalt oxide (Ca{sub 0.85}OH){sub 1.16}CoO{sub 2}

    SciTech Connect

    Shizuya, Mitsuyuki; Isobe, Masaaki . E-mail: ISOBE.Masaaki@nims.go.jp; Baba, Yuji; Nagai, Takuro; Matsui, Yoshio; Takayama-Muromachi, Eiji

    2006-12-15

    A monoclinic phase of the misfit-layered cobalt oxide (Ca{sub 0.85}OH){sub 1.16}CoO{sub 2} was successfully synthesized and characterized. It was found that this new material is a poly-type phase of the orthorhombic form of (CaOH){sub 1.14}CoO{sub 2}, recently discovered by the present authors. Both the compounds consist of two interpenetrating subsystems: CdI{sub 2}-type CoO{sub 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{sub 0.85}OH){sub 1.16}CoO{sub 2} have c-centered monoclinic Bravais lattices with common a=4.898 A, c=8.810 A and {beta}=95.8{sup o} lattice parameters, and different b parameters: b {sub 1}=2.820 A and b {sub 2}=4.870 A. Chemical analyses revealed that the monoclinic phase has a cobalt valence of +3.1-3.2. Resistivity of the monoclinic phase is approximately 10{sup 1}-10{sup 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 ({approx}100 {mu}V/K) were observed near room temperature. - Graphical abstract: Crystal structure of two kinds of poly-type phases of the misfit-layered cobalt oxides (Ca{sub 1-} {sub {delta}} OH) {sub x} CoO{sub 2}: (a) projection along the a-axis of the orthorhombic structure; (b) projection along the b-axis of the monoclinic structure; and (c) projection along the [-1 0 0] direction of the clinic structure. In each case, the rectangle is the unit cell.

  2. 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.

    2016-11-01

    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

  3. Facile synthesis and photocatalytic activity of monoclinic BiVO{sub 4} micro/nanostructures with controllable morphologies

    SciTech Connect

    Wang, Xinkun; Li, Guicun; Ding, Jie; Peng, Hongrui; Chen, Kezheng

    2012-11-15

    Graphical abstract: Display Omitted Highlights: ► BiVO{sub 4} micro/nanostructures have been synthesized by a facile solvothermal method. ► The shapes of BiVO{sub 4} micro/nanostructures can be controlled by tuning the synthetic parameters. ► BiVO{sub 4} nanorods with rectangular cross sections exhibit improved photocatalytic activities. -- Abstract: Monoclinic BiVO{sub 4} (m-BiVO{sub 4}) micro/nanostructures, such as nanorods, nanofibers, bundle-like nanostructures, and porous submicrometer-sized rods, have been successfully synthesized by a facile solvothermal method in an ethylene glycol–water–sodium oleate system. The morphologies and sizes of m-BiVO{sub 4} micro/nanostructures can be controlled by adjusting the synthetic parameters, such as the concentrations of sodium oleate and reaction time. Among them, the synthesized m-BiVO{sub 4} nanorods have rectangular cross sections, and can grow along the [0 0 1] direction, and are enclosed by well-defined facets, such as (0 0 2), (2 4 0), and (2{sup ¯}10), which are distinct from that with circular cross sections. A crystallization-cleavage-disassembly process has been proposed for the formation of m-BiVO{sub 4} nanorods with rectangular cross sections. The photocatalytic activity of m-BiVO{sub 4} nanostructures is affected greatly by the sizes and shapes of m-BiVO{sub 4} nanostructures. Photocatalytic measurements show that the m-BiVO{sub 4} nanorods with rectangular cross sections exhibit higher photocatalytic activities of Rhodamine B in comparison with m-BiVO{sub 4} nanofibers with circular cross-sections and porous submicrometer-sized rods.

  4. 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.

  5. Thermal properties of monoclinic KLu(WO4)2 as a promising solid state laser host.

    PubMed

    Silvestre, Oscar; Grau, Joan; Pujol, Maria Cinta; Massons, Jaume; Aguiló, Magdalena; Díaz, Francesc; Borowiec, Mieczyslaw T; Szewczyk, Andrzej; Gutowska, Maria U; Massot, Marta; Salazar, Agustín; Petrov, Valentin

    2008-03-31

    Thermal analysis of the monoclinic solid state laser host KLu(WO4)2 is presented. The specific heat was measured by the relaxation method in the temperature range from 1.9 to 385 K: its value at room temperature is 0.324 J/gK. The Debye temperature and the sound velocity amount to 303+/-3 K and 3734 m/s. The linear thermal expansion tensor was measured by X-ray powder diffraction from room temperature up to 773 K. The eigenvalues of this tensor are alpha'(11)=8.98 x 10(-6) K(-1), alpha'(22)=3.35 x 10(-6) K(-1), and alpha'(33)=16.72 x 10(-6) K(-1), with the maximum value in the a-b crystallographic plane, at 31.94 degrees from the N(g) principal optical axis. The thermal diffusivity and its anisotropy in the temperature range between 300 and 500 K were measured by the pyroelectric method to determine the thermal conductivity tensor. The eigenvalues of the thermal conductivity are kappa'(11)=2.95 Wm(-1)K(-1), kappa'(22)=2.36 Wm-1K-1, and kappa'(33)=4.06 Wm(-1)K(-1), with the maximum value along a direction again in the a-b crystallographic plane, at 40.75 degrees from the N(g) principal optical axis. Simulation of the temperature distribution in a bulk sample of KLu(WO4)2 with dimensions 3 x 3 x 3 mm(3) shows that pump and laser beam directions along the N(p) principal optical axis in terms of thermal effects are preferable because the propagation is along a quasi-isothermal path.

  6. Room-temperature monoclinic and low-temperature triclinic phase-transition structures of meso-octamethylcalix[4]pyrrole-dimethyl sulfoxide (1/1).

    PubMed

    Lynch, V M; Gale, P A; Sessler, J L; Madeiros, D

    2001-12-01

    Crystals of the title complex, C28H36N4*C2H6OS, undergo a phase transition between room temperature and 198 K, as determined by X-ray diffraction techniques. A monoclinic form is observed at room temperature, while a triclinic modification is found at 198 K, with Z' changing from 1 to 2. Differential scanning calorimetry (DSC) of the calixpyrrole-dimethyl sulfoxide complex revealed a series of phase changes between 273 and 243 K. The transition from the room-temperature monoclinic form to the low-temperature triclinic form is reversible, as determined by changes in the cell dimensions from remeasuring selected reflections at room temperature and at temperatures below 223 K. The uncomplexed calix[4]pyrrole molecule shows no phase changes occurring between room temperature and 233 K, the low-temperature limit of the DSC.

  7. 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.

  8. Bicollinear antiferromagnetic order, monoclinic distortion, and reversed resistivity anisotropy in FeTe as a result of spin-lattice coupling

    DOE PAGES

    Bishop, Christopher B.; Moreo, Adriana; Dagotto, Elbio

    2016-09-08

    The bicollinear antiferromagnetic order experimentally observed in FeTe is shown to be stabilized by the coupling g~12 between monoclinic lattice distortions and the spin-nematic order parameter with B2g symmetry, within a three-orbital spin-fermion model studied with Monte Carlo techniques. A finite but small value of g~12 is required, with a concomitant lattice distortion compatible with experiments, and a tetragonal-monoclinic transition strongly first order. Remarkably, the bicollinear state found here displays a planar resistivity with the reversed puzzling anisotropy discovered in transport experiments. Orthorhombic distortions are also incorporated, and phase diagrams interpolating between pnictides and chalcogenides are presented. Here, we concludemore » that the spin-lattice coupling we introduce is sufficient to explain the challenging properties of FeTe.« less

  9. Bicollinear antiferromagnetic order, monoclinic distortion, and reversed resistivity anisotropy in FeTe as a result of spin-lattice coupling

    SciTech Connect

    Bishop, Christopher B.; Moreo, Adriana; Dagotto, Elbio

    2016-09-08

    The bicollinear antiferromagnetic order experimentally observed in FeTe is shown to be stabilized by the coupling g~12 between monoclinic lattice distortions and the spin-nematic order parameter with B2g symmetry, within a three-orbital spin-fermion model studied with Monte Carlo techniques. A finite but small value of g~12 is required, with a concomitant lattice distortion compatible with experiments, and a tetragonal-monoclinic transition strongly first order. Remarkably, the bicollinear state found here displays a planar resistivity with the reversed puzzling anisotropy discovered in transport experiments. Orthorhombic distortions are also incorporated, and phase diagrams interpolating between pnictides and chalcogenides are presented. Here, we conclude that the spin-lattice coupling we introduce is sufficient to explain the challenging properties of FeTe.

  10. 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.

  11. A Green Route to Hexagonal and Monoclinic BiPO4:Ln3+ (Ln = Sm, Eu, Tb, Dy) Nanocrystallites for Tailoring Luminescent Performance.

    PubMed

    Yang, Errui; Li, Guangshe; Zheng, Yunlong; Li, Liping

    2016-04-01

    Selective synthesis of specific phased nanomaterials via a green route is a promising yet challeng- ing task. In the present work, the hexagonal and monoclinic phases of BiPO4:Ln3+ (Ln = Sm, Eu, Tb, Dy) were prepared via room temperature co-precipitation method. For adjusting the phase of the products, the prepared mediums selected were the most common solvents, i.e., water and ethanol. It was very important that the prepared mediums could be easily recycled and reused by evapo- rating the filtrate. The formation mechanisms of hexagonal in water and monoclinic in ethanol were investigated. Interestingly, the growth behaviors of these phases were quite distinct and thus gave rise to distinct morphology and particle size. The hexagonal phase possesses a rod-like morphol- ogy with diameters of 50-160 nm and lengths of 65-400 nm while the monoclinic phase consists of almost entirely irregular nanoparticles. Also, it was found that the bending and stretching vibrations of O-H and PO4 tetrahedra were quite different for the products prepared in water and ethanol. Moreover, it was found that the luminescence properties, including emission intensity, lifetime, quan- tum efficiency, and color, could be readily tailored through controlling the phase structures and microstructures. The results showed that the monoclinic phase exhibited superior luminescent per- formance to the hexagonal phase. The methodologies reported in this work were fundamentally important, which could be easily extended to large-scale synthesis of other phased nanomaterials for potential applications as electroluminescent devices, optical integrated circuits, or biomarkers.

  12. Mechanical and Transport Properties of Poly(propylene-co-1-heptene) Copolymers and Their Dependence on Monoclinic and/or Mesomorphic Polymorphs.

    PubMed

    García-Peñas, Alberto; Gómez-Elvira, José M; Lorenzo, Vicente; Pérez, Ernesto; Cerrada, María L

    2016-02-25

    Poly(propylene-co-1-heptene) copolymers have been evaluated in a wide 1-heptene content range. Two different polymorphs can be observed in this interval under the processing conditions imposed: monoclinic crystallites and mesomorphic entities. The unique presence of one or the other lattice at specific content or the coexistence of both of them at the intermediate composition interval is a key factor affecting some of the exhibited properties. The influence is observed in characteristics mainly dependent on either crystalline structure, like rigidity, or the amorphous regions, as location and intensity of glass transition. To get a deeper understanding, the transition from mesophase to monoclinic crystallites has also been studied by DSC and by WAXS and SAXS experiments using synchrotron radiation. It is observed that this transformation is only partial and just involves one-third of the initial ordered mesomorphic entities. Permeability to different gases is mainly dependent on amorphous content and hindrance that monoclinic or mesomorphic entities impose on those disordered regions.

  13. Soft modes and elastic strain at the tetragonal-to-monoclinic phase transition in antifluorite and related structure types

    NASA Astrophysics Data System (ADS)

    Ihringer, J.; Abrahams, S. C.

    1984-12-01

    Group-theoretical normal-mode analysis of the antifluorite A2BX6 structure in space group P4mnc (D64h) identifies two effective modes with Eg symmetry. Either mode may condense independently of the other at the phase transition to space group P21n (C52h). One mode produces a displacement of the A+ ions, the other a rotation of the BX62- octahedra. Lattice distortion thereby results from the coupling between order parameter (Q) and elastic strain (e). Linear and quadratic symmetry invariant coupling in terms of free energy results in e13~Q and, independently, e22-e11 ~Q2. The linear coupling produces a discontinuous change in soft-mode frequency at Tc, whereas the change in specific heat is caused primarily by the quadratic coupling. Measurements on K2TeBr6 reveal that one Eg mode condenses at the second-order phase transition to P21n at 400 K and follows a Landau critical power law with e13 ~(400K-T)12, leaving e22-e11=0 for 359monoclinic transition as further octahedral rotation becomes blocked. Evidence for the two Eg-mode displacement fields is found in the literature for all elpasolite A2B'B''X6 and cryolite A3BX6 structures determined in space group P21n. Formation of an additional phase by the antifluorites K2SeBr6 and K2SnCl6 in space group C 2c (C62h) on cooling from P4mnc to P21n results from two octahedral rotations due to the Eg-mode basis vectors having order parameters of equal magnitude. The orthorhombic pseudosymmetry in C 2c is caused only by the e12 strain component. The coupling found in K2TeBr6 is shown to apply generally to related structure types.

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

    NASA Astrophysics Data System (ADS)

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

    2012-12-01

    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.

  15. Monoclinic Tm3+:MgWO4: a promising crystal for continuous-wave and passively Q-switched lasers at ∼2  μm.

    PubMed

    Loiko, Pavel; Serres, Josep Maria; Mateos, Xavier; Aguiló, Magdalena; Díaz, Francesc; Zhang, Lizhen; Lin, Zhoubin; Lin, Haifeng; Zhang, Ge; Yumashev, Konstantin; Petrov, Valentin; Griebner, Uwe; Wang, Yicheng; Choi, Sun Yung; Rotermund, Fabian; Chen, Weidong

    2017-03-15

    Monoclinic thulium-doped magnesium monotungstate, Tm3+:MgWO4, is promising for efficient power-scalable continuous-wave (CW) and passively Q-switched lasers at >2  μm. Under diode pumping at 802 nm, a compact CW laser based on Z-cut Tm:MgWO4 generated 3.09 W at 2022-2034 nm with a slope efficiency of 50% which represents the highest output power ever achieved with this type of laser host. Stable passive Q-switching of the Tm:MgWO4 laser is demonstrated for the first time, to the best of our knowledge, using single-walled carbon nanotubes, graphene, and Cr2+:ZnS saturable absorbers. Using the latter, the best performance is achieved with 16.1 μJ/13.6 ns pulses at 2017.8 nm with a maximum average output power of 0.87 W and a peak power of 1.18 kW.

  16. 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.

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

    DOE PAGES

    Ahart, Muhtar; Sinogeikin, Stanislav; Shebanova, Olga; ...

    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

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. 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)

  3. Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1−x)Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} piezoceramics

    SciTech Connect

    Upadhyay, Ashutosh; Singh, Akhilesh Kumar E-mail: aksingh.mst@itbhu.ac.in

    2015-04-14

    Results of the room temperature structural studies on (1−x)Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} ceramics using Rietveld analysis of the powder x-ray diffraction data in the composition range 0.28 ≤ x ≤ 0.45 are presented. The morphotropic phase boundary region exhibits coexistence of monoclinic (space group Pm) and tetragonal (space group P4 mm) phases in the composition range 0.33 ≤ x ≤ 0.40. The structure is nearly single phase monoclinic (space group Pm) in the composition range 0.28 ≤ x ≤ 0.32. The structure for the compositions with x ≥ 0.45 is found to be predominantly tetragonal with space group P4 mm. Rietveld refinement of the structure rules out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier authors. The Rietveld structure analysis for the sample x = .35 calcined at various temperatures reveals that phase fraction of the coexisting phases in the morphotropic phase boundary region varies with grain size. The structural parameters of the two coexisting phases also change slightly with changing grain size.

  4. Growth, spectroscopy and lasing of the Yb-doped monoclinic Gd2SiO5 in the prospect of hydrogen laser cooling with Lyman-α radiation

    NASA Astrophysics Data System (ADS)

    Cabaret, L.; Robert, J.; Lebbou, K.; Brenier, A.; Cabane, H.

    2016-12-01

    We have grown good optical quality 10% Yb-doped Gd2SiO5 monocrystal by the Czochralski technique. The Yb segregation coefficient was measured to be 0.747. In agreement with the monoclinic symmetry of the host, the Yb fluorescence extrema were found to deviate from the Nm and Ng principal axes and a fourth spectroscopic parameter representing the rotation of the fluorescence distribution was introduced for a full description. Diode pumped laser operation at Brewster incidence was demonstrated to be significantly more efficient if the lasing propagation corresponds to the maximum fluorescence inside the crystal. We obtained a laser emission tunable between 1079 and 1100 nm, showing that our crystal is the best choice for the application to the production of QCW Lyman-α radiation by resonant four-wave-mixing in mercury vapor.

  5. 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.

  6. Crystal structure of the monoclinic phase (phase IV) of bis­(tetra­methyl­ammonium) tetra­chlorido­cuprate(II)

    PubMed Central

    Seck, Gorgui Awa; Diop, Libasse; Oliver, Allen G.

    2017-01-01

    The crystal structure of the low-temperature monoclinic phase of the title compound, [(CH3)4N]2[CuCl4], was determined at 120 K. The structure of the room-temperature phase has been determined in the ortho­rhom­bic space group Pmcm [Morosin & Lingafelter (1961 ▸). J. Phys. Chem. 50–51; Clay et al. (1975 ▸). Acta Cryst. B31 289–290]. The asymmetric unit consists of one discrete tetra­chlorido­cuprate anion with a distorted tetra­hedral geometry and two tetra­methyl­ammonium cations. In the crystal, the cations and the anions are linked via weak C—H⋯Cl hydrogen bonds. PMID:28316808

  7. Comment on ``Monoclinic phase of PbZr0.52Ti0.48O3 ceramics: Raman and phenomenological thermodynamic studies''

    NASA Astrophysics Data System (ADS)

    Frantti, J.; Lappalainen, J.; Lantto, V.; Nishio, S.; Kakihana, M.

    2001-05-01

    Recently, Souza Filho et al. [A. G. Souza Filho, K. C. V. Lima, A. P. Ayala, I. Guedes, P. T. C. Freire, J. Mendes Filho, E. B. Araujo, and J. A. Eiras, Phys. Rev. B 61, 14 283 (2000)] reported a phase transition between monoclinic and tetragonal phases as a function of temperature in a PbZr0.52Ti0.48O3 ceramic sample, observed by Raman spectroscopy. We show that their observation has no relation to the phase transition and the anomaly they interpreted as an indication of a phase transition was due to the erroneous curve fit procedure, which predicts a clearly observable phase transition for all tetragonal lead-zirconate-titanate ceramics, including lead titanate. A more appropriate way to study this phase transition phenomena by Raman spectroscopy is discussed.

  8. Crystal structure, electronic and physical properties of monoclinic RECuTe2 in contrast to RECuSe2 (RE = Pr, Sm, Gd, Dy and Er)

    NASA Astrophysics Data System (ADS)

    Esmaeili, Mehdi; Forbes, Scott; Tseng, Yu-Chih; Mozharivskyj, Yurij

    2014-10-01

    The ternary tellurides RECuTe2 (RE = Gd, Dy and Er) have been synthesized, their crystal structure and charge transport properties have been investigated. The tellurides adopt a monoclinicly distorted variant (C2/m, z = 2) of the trigonal structure (P 3 bar m1, Z = 1) observed for RECuSe2 with RE = Dy, Er. The charge transport properties of RECuSe2 with RE = Pr and Sm have been also explored. While RECuTe2 display a metallic type resistivity, RECuSe2 show semiconducting properties. The room-temperature resistivities are between 0.22 and 10.5 Ω cm, with larger values observed for the selenides. Electronic structure calculations support metallic and semiconducting conductivities for the tellurides and selenides, respectively. The Seebeck coefficient indicates that the dominant charge carries are holes for all phases.

  9. 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.

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

    SciTech Connect

    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 requires 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.

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

    DOE PAGES

    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

  12. Impact of the oxygen defects and the hydrogen concentration on the surface of tetragonal and monoclinic ZrO2 on the reduction rates of stearic acid on Ni/ZrO2

    SciTech Connect

    Foraita, Sebastian D.; Fulton, John L.; Chase, Zizwe A.; Vjunov, Aleksei; Xu, Pinghong; Barath, Eszter; Camaioni, Donald M.; Zhao, Chen; Lercher, Johannes A.

    2015-02-02

    The effect of the physicochemical properties of ZrO2 phases on the activity of Ni/ZrO2 catalysts for hydrodeoxygenation of stearic acid are described. A synergistic interaction between Ni and ZrO2 support was found. The effect is greatest for the monoclinic phase of ZrO2.

  13. 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.

  14. Monoclinic and triclinic concomitant polymorphs of di-mu-pyridazine-1kappa(2)N:2kappa(2)N'-bis[(saccharinato)silver(I)].

    PubMed

    Hamamci, Sevim; Yilmaz, Veysel T; Büyükgüngör, Orhan

    2006-01-01

    Crystallization of the title compound, di-mu-pyridazine-1kappa(2)N:2kappa(2)N'-bis[(2,3-dihydro-3-oxobenzisosulfonazolato-kappaN)silver(I)], [Ag2(C7H4NO3S)2(C4H4N2)2], from acetonitrile yields both monoclinic, (I), and triclinic, (II), polymorphs. In both forms, the silver(I) ions have a slightly distorted trigonal AgN(3) coordination geometry and are doubly bridged by two neutral pyridazine (pydz) ligands, generating a centrosymmetric dimeric structure. The saccharinate (sac) ligands are N-coordinated. The dihedral angles between the sac and pydz rings are 8.43 (7) and 7.94 (8) degrees in (I) and (II), respectively, suggesting that the dimeric molecule is nearly flat. The bond geometry is similar in both polymorphs. In (I), the dimers interact with each other via aromatic pi(sac)-pi(pydz) stacking interactions, forming two-dimensional layers, which are further crosslinked by weak C-H...O interactions. Compound (II) exhibits similar C-H...O and pi-pi interactions, but additional C-H...pi and pi...Ag interactions help to stabilize the packing of the dimers.

  15. Surfactant-free synthesis of hyperbranched monoclinic bismuth vanadate and its applications in photocatalysis, gas sensing, and lithium-ion batteries.

    PubMed

    Zhao, Yu; Xie, Yi; Zhu, Xi; Yan, Si; Wang, Sunxi

    2008-01-01

    Hyperbranched monoclinic BiVO(4) (h-BiVO(4)) has been synthesized on a large scale and with good uniformity by a surfactant-free hydrothermal route. h-BiVO(4) consists of four trunks with branches distributed on opposite sides. From observation of the intermediates at an early stage of the reaction process, it can be seen that during formation h-BiVO(4) has different growth rates along the a, b, and c axes. Based on crystal structure analysis and experimental results, h-BiVO(4) shows preferential growth along the [100] direction, and subsequently, along the [010] and [001] directions. As-synthesized h-BiVO(4) exhibits excellent photocatalytic ability in the photodegradation reaction of an aqueous solution of RB under visible light. Electrochemical measurements predict that h-BiVO(4) possesses high sensitivity to formaldehyde and ethanol gases, favorable discharge capacity, and capacity retention, which indicate potential applications in the fields of sensing devices and lithium-ion batteries.

  16. 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.

  17. First-principles prediction of the thermodynamic stability of xenon in monoclinic, tetragonal, and yttrium-stabilized cubic ZrO{sub 2}

    SciTech Connect

    Jiang Chao; Liu Xiangyang; 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 ZrO{sub 2} 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 ZrO{sub 2} structural forms, including monoclinic, tetragonal, and yttrium-stabilized cubic ZrO{sub 2}. Two defect configurations are found to dominate the fission gas incorporation process: xenon interstitial and oxygen substitutional configurations. In yttrium-stabilized cubic ZrO{sub 2}, 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.

  18. 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.

  19. Bioweathering of Kupferschiefer black shale (Fore-Sudetic Monocline, SW Poland) by indigenous bacteria: implication for dissolution and precipitation of minerals in deep underground mine.

    PubMed

    Matlakowska, Renata; Skłodowska, Aleksandra; Nejbert, Krzysztof

    2012-07-01

    The Upper Permian polymetallic, organic-rich Kupferschiefer black shale in the Fore-Sudetic Monocline is acknowledged to be one of the largest Cu-Ag deposits in the world. Here we report the results of the first study of bioweathering of this sedimentary rock by indigenous heterotrophic bacteria. Experiments were performed under laboratory conditions, employing both petrological and microbiological methods, which permitted the monitoring and visualization of geomicrobiological processes. The results demonstrate that bacteria play a prominent role in the weathering of black shale and in the biogeochemical cycles of elements occurring in this rock. It was shown that bacteria directly interact with black shale organic matter to produce a widespread biofilm on the Kupferschiefer shale surface. As a result of bacterial activity, the formation of pits, bioweathering of ore and rock-forming minerals, the mobilization of elements and secondary mineral precipitation were observed. The chemistry of the secondary minerals unequivocally demonstrates the mobilization of elements from minerals comprising Kupferschiefer. The redistribution of P, Al, Si, Ca, Mg, K, Fe, S, Cu and Pb was confirmed. The presence of bacterial outer membrane vesicles on the surface of black shale was observed for the first time. Biomineralization reactions occurred in both the membrane vesicles and the bacterial cells.

  20. Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy.

    PubMed

    Pal, Rumpa; Reddy, M B Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N

    2014-10-09

    Crystals of Boc-γ(4)(R)Val-Val-OH undergo a reversible first-order single crystal to single crystal phase transition at Tc ≈ 205 K from the orthorhombic space group P22121 (Z' = 1) to the monoclinic space group P21 (Z' = 2) with a hysteresis of ∼2.1 K. The low-temperature monoclinic form is best described as a nonmerohedral twin with ∼50% contributions from its two components. The thermal behavior of the dipeptide crystals was characterized by differential scanning calorimetry experiments. Visual changes in birefringence of the sample during heating and cooling cycles on a hot-stage microscope with polarized light supported the phase transition. Variable-temperature unit cell check measurements from 300 to 100 K showed discontinuity in the volume and cell parameters near the transition temperature, supporting the first-order behavior. A detailed comparison of the room-temperature orthorhombic form with the low-temperature (100 K) monoclinic form revealed that the strong hydrogen-bonding motif is retained in both crystal systems, whereas the non-covalent interactions involving side chains of the dipeptide differ significantly, leading to a small change in molecular conformation in the monoclinic form as well as a small reorientation of the molecules along the ac plane. A rigid-body thermal motion analysis (translation, libration, screw; correlation of translation and libration) was performed to study the crystal entropy. The reversible nature of the phase transition is probably the result of an interplay between enthalpy and entropy: the low-temperature monoclinic form is enthalpically favored, whereas the room-temperature orthorhombic form is entropically favored.

  1. Comparison and validation of Logistic Regression and Analytic Hierarchy Process models of landslide susceptibility in monoclinic regions. A case study in Moldavian Plateau, N-E Romania

    NASA Astrophysics Data System (ADS)

    Ciprian Margarint, Mihai; Niculita, Mihai

    2014-05-01

    The regions with monoclinic geological structure are large portions of earth surface where the repetition of similar landform patterns is very distinguished, the scarps of cuestas being characterized by similar values of morphometrical variables. Landslides are associated with these scarps of cuestas and consequently, a very high value of landslide susceptibility can be reported on its surface. In these regions, landslide susceptibility mapping can be realized for the entire region, or for test areas, with accurate, reliable, and available datasets, concerning multi-temporal inventories and landslide predictors. Because of the similar geomorphologic and landslide distribution we think that if any relevance of using test areas for extrapolating susceptibility models is present, these areas should be targeted first. This study case try to establish the level of usability of landslide predictors influence, obtained for a 90 km2 sample located in the northern part of the Moldavian Plateau (N-E Romania), in other areas of the same physio-geographic region. In a first phase, landslide susceptibility assessment was carried out and validated using logistic regression (LR) approach, using a multiple landslide inventory. This inventory was created using ortorectified aerial images from 1978 and 2005, for each period being considered both old and active landslides. The modeling strategy was based on a distinctly inventory of depletion areas of all landslide, for 1978 phase, and on a number of 30 covariates extracted from topographical and aerial images (both from 1978 and 2005 periods). The geomorphometric variables were computed from a Digital Elevation Model (DEM) obtained by interpolation from 1:5000 contour data (2.5 m equidistance), at 10x10 m resolution. Distance from river network, distance from roads and land use were extracted from topographic maps and aerial images. By applying Akaike Information Criterion (AIC) the covariates with significance under 0.001 level

  2. Monoclinic polymorph of 2,5-dide­oxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenyl­methyl­ene]-l-iditol1

    PubMed Central

    Gibson, Jerrell G.; Cho, Jung Young; Fronczek, Frank R.; Watkins, Steven F.

    2012-01-01

    The title compound C20H20O4S, is polymorphic. In the tetra­gonal form, the mol­ecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C 2 mol­ecular symmetry. The greatest excursion from C 2 symmetry is in the orientation of the two phenyl rings; at 100 K, one of the rings is rotated −37.2 (3)° and the other by 46.9 (3)° from their symmetric (tetra­gonal) positions. There are only minor differences in the three-ring nucleus; the best mol­ecular fit of the tetra­gonal and monoclinic forms, both at 100 K and excluding phenyl rings and H atoms, shows an r.m.s. deviation of 0.066 Å. Both forms have the same absolute configuration. PMID:22969563

  3. 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.

  4. 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.

  5. Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine-2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder.

    PubMed

    Chia, Tze Shyang; Quah, Ching Kheng

    2016-12-01

    As a function of temperature, the hexamethylenetetramine-2-methylbenzoic acid (1/2) cocrystal, C6H12N4·2C8H8O2, undergoes a reversible structural phase transition. The orthorhombic high-temperature phase in the space group Pccn has been studied in the temperature range between 165 and 300 K. At 164 K, a t2 phase transition to the monoclinic subgroup P21/c space group occurs; the resulting twinned low-temperature phase was investigated in the temperature range between 164 and 100 K. The domains in the pseudomerohedral twin are related by a twofold rotation corresponding to the matrix (100/0-10/00-1. Systematic absence violations represent a sensitive criterium for the decision about the correct space-group assignment at each temperature. The fractional volume contributions of the minor twin domain in the low-temperature phase increases in the order 0.259 (2) → 0.318 (2) → 0.336 (2) → 0.341 (3) as the temperature increases in the order 150 → 160 → 163 → 164 K. The transformation occurs between the nonpolar point group mmm and the nonpolar point group 2/m, and corresponds to a ferroelastic transition or to a t2 structural phase transition. The asymmetric unit of the low-temperature phase consists of two hexamethylenetetramine molecules and four molecules of 2-methylbenzoic acid; it is smaller by a factor of 2 in the high-temperature phase and contains two half molecules of hexamethylenetetramine, which sit across twofold axes, and two molecules of the organic acid. In both phases, the hexamethylenetetramine residue and two benzoic acid molecules form a three-molecule aggregate; the low-temperature phase contains two of these aggregates in general positions, whereas they are situated on a crystallographic twofold axis in the high-temperature phase. In both phases, one of these three-molecule aggregates is disordered. For this disordered unit, the ratio between the major and minor conformer increases upon cooling from

  6. 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 PAGES

    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

  7. Polarized infrared and raman spectra of monoclinic CsH 2PO 4 single crystal and its deuterated homologue CsD 2PO 4. Part 1. Hydrogen bond study

    NASA Astrophysics Data System (ADS)

    Videnova-Adrabińska, V.; Baran, J.

    1987-01-01

    The object of clearly distinguishing the streching modes originating from the short ( v2) and the long ( v1) hydrogen bond in CsH 2PO 4 has been achieved by recording polarized IR spectra on the (010) plane using different orientations of the electric vector component. Band parameters of the v1 stretching mode are taken as a function of the temperature. Calculations of the orientation of the transition dipole moments for the six proton vibrations ( v1, δ 1, γ 1 and v2, δ 2, γ 2) are performed and correlated with the experimental results.

  8. 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

  9. Plastic Deformation by Twinning in CsHSO4 Single Crystal

    NASA Astrophysics Data System (ADS)

    Ozaki, Toru; Itoh, Kazuyuki; Nakamura, Eiji

    1982-01-01

    Plastic deformation by mechanical twinning with (001) twin plane has been observed in the b-plate of CsHSO4 single crystals at room temperature. A parallelogram-shaped hysteresis loop is found between the external shear stress and the deformation angle of the crystal plate. The maximum deformation angle is found to be 24° which is very close to 2(β-90°), where β{=}101.51° is the monoclinic angle of the crystal lattice. A microscopic model based on the crystal structure for the twin structure is proposed.

  10. 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.

  11. A second monoclinic polymorph of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hy­droxy­imino-N′-[1-(pyridin-2-yl)ethyl­idene]acetohydrazide

    PubMed Central

    Plutenko, Maxym O.; Lampeka, Rostislav D.; Haukka, Matti; Nordlander, Ebbe

    2013-01-01

    The title compound, C14H16N6O2, is a second monoclinic polymorph of 2-[1-(3,5-dimeth­yl)pyrazol­yl]-2-hy­droxy­imino-N′-[1-(2-pyrid­yl)ethyl­idene] acetohydrazide, with two crystallographically independent mol­ecules per asymmetric unit. The non-planar mol­ecules are chemically equal having similar geometric parameters. The previously reported polymorph [Plutenko et al. (2012 ▶). Acta Cryst. E68, o3281] was described in space group Cc (Z = 4). The oxime group and the O atom of the amide group are anti with respect to the C—C bond. In the crystal, mol­ecules are connected by N—H⋯N hydrogen bonds into zigzag chains extending along the b axis. PMID:23723911

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

    DOE PAGES

    McCall, S. K.; Nersessian, N.; Carman, G. P.; ...

    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

  13. Triclinic and monoclinic polymorphs of meso-(E,E)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder.

    PubMed

    Mohamed, Shaaban K; Younes, Sabry H H; Abdel-Raheem, Eman M M; Horton, Peter N; Akkurt, Mehmet; Glidewell, Christopher

    2016-01-01

    Pyrazolidine-3,5-diones and their derivatives exhibit a wide range of biological activities. Seeking to explore the effect of combining a hydrocarbyl ring substituent, as present in sulfinpyrazone (used to treat gout), with a chlorinated aryl ring, as present in muzolimine (a diuretic), we explored the reaction between 1-phenylpyrazolidine-3,5-dione and 4-chlorobenzaldehyde under mildly basic conditions in the expectation of producing the simple condensation product 4-(4-chlorobenzylidene)-1-phenylpyrazolidine-3,5-dione. However, the reaction product proved to be meso-(E,E)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene), C26H20Cl2N4, and a tentative mechanism is proposed. Crystallization from ethanol produces two concomitant polymorphs, i.e. a triclinic form, (I), in the space group P-1, and a monoclinic form, (II), in the space group C2/c. In both polymorphs, the molecules lie across centres of inversion, but in (II), the molecules are subject to whole-molecule disorder equivalent to configurational disorder with occupancies of 0.6021 (19) and 0.3979 (19). There are no hydrogen bonds in the crystal structure of polymorph (I), but the molecules of polymorph (II) are linked by C-H...π(arene) hydrogen bonds into complex chains, which are further linked into sheets by C-H...N interactions.

  14. 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

  15. 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.

  16. A second monoclinic polymorph of 2-[2-(4-meth­oxy­phen­yl)hydrazinyl­idene]-1,3-diphenyl­propane-1,3-dione

    PubMed Central

    Bustos, Carlos; Alvarez-Thon, Luis; Barría, Daniela; Cárcamo, Juan-Guillermo; Garland, Maria Teresa

    2011-01-01

    The title compound, C22H18N2O3 is the second monoclinic polymorph (P21/c) of the compound, the first being reported in space group P21 [Bertolasi et al. (1993 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 2223–2228]. In the mol­ecular structure of the title compound, the inter­planar angle between the benzoyl units is 80.04 (5)°, while the corresponding angles between the phenyl­hydrazinyl­idene and benzoyl groups are 36.11 (5) and 55.77 (2)°. A strong resonance-assisted intra­molecular N—H⋯O hydrogen bond is found. In the crystal, the entire supra­molecular structure is constructed by weak inter­molecular C—H⋯O inter­actions and an inter-ring π–π inter­action [centroid–centroid distance = 3.6088 (8) Å]. PMID:21837198

  17. Unique three-phase states in (1-x)Pb(Zn1/3Nb2/3)O3- xPbTiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Topolov, V. Yu

    2004-04-01

    This paper reports results on the crystallographic study of heterophase structures in relaxor-ferroelectric (1- x)Pb (Zn1/3Nb2/3)O3-xPbTiO3 single crystals with 0.06monoclinic' and 'monoclinic-tetragonal', can be elastically matched along so-called zero-net-strain planes, parallel to the (100) or (010) domain (twin) walls in the intermediate monoclinic phase, where the Miller indices (hkl) are written in terms of the perovskite axes of the cubic unit cell. Calculated volume fractions of the three phases coexisting at 0.06

  18. 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.

  19. Single crystal growth and magnetic excitations of transistion metal oxide CoV2 O6

    NASA Astrophysics Data System (ADS)

    Stockdale, Christopher; Wallington, F.; Taylor, J. W.; Garcia-Sakai, V.; Arevalo-Lopez, A. M.; Attfield, P.; Stock, C.

    2015-03-01

    Low-dimensional magnetic materials are an area of interest due to their unusual properties such as metamagnetism and magnetization plateaus. Solid state synthesis has produced polycrystalline CoV2O6 which exists in two polymorphs: one with a monoclinic structure, and the other with a triclinic structure. Single crystals have been grown from polycrystalline CoV2O6 using the flux method under vacuum and are large enough to aid in single crystal neutron diffraction. Magnetic excitations have been measured using powder neutron diffraction in the low temperatures regime with variable energy. The magnetic excitations have been compared between the two phases. The energy of the system has been modelled in terms of the spin-orbit coupling, structural distortions, and the crystal field and compared to neutron data.

  20. EPR and optical absorption studies on Gd 3+ ions in ammonium hydrogen malonate single crystals

    NASA Astrophysics Data System (ADS)

    Kripal, Ram; Mishra, Indrajeet

    2010-01-01

    X-Band electron paramagnetic resonance (EPR) studies of Gd 3+ ions in ammonium hydrogen malonate single crystals have been done at room temperature. Detailed EPR analysis indicates the presence of four physically equivalent but magnetically inequivalent sites. The zero-field splitting parameters and g factor are determined. The Gd 3+ ion is in 8S state; its levels are split by the action of the crystalline electric field of monoclinic symmetry. The optical absorption spectra of Gd 3+ ions in single crystals of ammonium hydrogen malonate are also recorded at room temperature. The energy levels of the 4f 7 configuration are calculated and compared with those observed experimentally. The values of E1=5854±11, E2=31±0.36, E3=592±3.3 and ζ 4f=1595±25 cm -1 are found to give the best over-all agreement between experimentally observed and calculated levels.

  1. 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

    2009-10-07

    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.

  2. Polarized Raman spectra of the oriented NaY(WO 4) 2 and KY(WO 4) 2 single crystals

    NASA Astrophysics Data System (ADS)

    Macalik, L.; Hanuza, J.; Kaminskii, A. A.

    2000-11-01

    Polarized Raman scattering spectra of the NaY(WO 4) 2 (NYW) single crystal have been measured. Its structure is described in the tetragonal space group isomorphic to CaWO 4 scheelite. The A g, B g and E g spectra were made and discussed in terms of factor group analysis. These spectra are compared to those of monoclinic KY(WO 4) 2 (KYW) single crystals whose structure differs from the other crystal. The NYW unit cell comprises of the isolated WO 4 tetrahedra whereas the KYW structure is built from the WO 6 octahedra joined by WO 2W double bonds and WOW single bridges. The vibrational characteristics of the bridge bond systems are proposed. On this basis, the role of the vibronic transitions for the KYW crystal doped with Eu 3+ ions is discussed.

  3. Growth and characterization of morpholinium dihydrogenphosphate single crystal

    NASA Astrophysics Data System (ADS)

    Babu, D. Rajan; Arul, H.; Vizhi, R. Ezhil

    2016-10-01

    Morpholinium dihydrogenphosphate (MDP) single crystals were synthesized, and were subsequently grown by controlled evaporation technique at room temperature for nonlinear optical applications. The grown crystal, which belongs to the monoclinic system with the space group P21, was subjected to single crystal X-ray diffraction to confirm the structure. UV-vis-NIR spectroscopy was done on the grown crystal and it showed good optical transparency in the entire visible region with a minimum cut-off wavelength of 289 nm. The optical band gap was computed as a function of photon energy using Tauc's plot. The refractive index of the grown crystal was determined using a Metricon Prism Coupler. The thermogravimetric (TG) and differential thermal analysis (DTA) traces disclosed the thermal stability of the compound. The mechanical strength of the crystal was investigated by a Vickers microhardness tester. Dielectric constant and dielectric loss were calculated and plotted as a function of frequency at different temperatures. The second harmonic conversion efficiency was determined using the Kurtz-Perry powder technique, and the efficiency was found to be 1.2 times greater than that of standard KDP.

  4. Characteristics of electric-field-induced polarization rotation in <001>-poled Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals close to the morphotropic phase boundary

    NASA Astrophysics Data System (ADS)

    Peräntie, J.; Hagberg, J.; Uusimäki, A.; Tian, J.; Han, P.

    2012-08-01

    The special characteristics of polarization rotation and accompanying electric-field-induced ferroelectric-ferroelectric phase transitions in <001>-poled Pb(Mg1/3Nb2/3)1-xTixO3 (x = 27.4, 28.8, and 30.7 mol. %) single crystals close to the morphotropic phase boundary region were studied by means of dielectric and thermal measurements as a function of a unipolar electric field at various temperatures. Discontinuous first-order-type phase transition behavior was evidenced by distinct and sharp changes in polarization and thermal responses with accompanying hysteresis as a function of the electric field. All compositions of crystals showed either one or two reversible discontinuities along the polarization rotation paths, which can be understood by electric-field-induced phase transition sequences to the tetragonal phase through different monoclinic phases previously observed along the polarization rotation path. Together with increasing polarization, a field-induced reversible decrease in temperature was observed with increasing electric field, indicating increased dipolar entropy during the electric-field-induced phase transitions. Constructed electric field-temperature phase diagrams based on the polarization and thermal data suggest that the complex polarization rotation path extends to a wider composition range than previously observed. The measured thermal response showed that a transition from the monoclinic to the tetragonal phase produced a greater thermal change in comparison with a transition within two monoclinic phases.

  5. Crystalline transformations in nylon-6/single-walled carbon nanotube nanocomposites.

    PubMed

    Naffakh, M; Marco, C; Gómez, M A; Ellis, G; Maser, W K; Benito, A; Martínez, M T

    2009-10-01

    Nylon-6/single-walled carbon nanotube (SWNT) nanocomposites with different SWNTs loadings were prepared by melt-blending. An efficient dispersion of SWNTs into the nylon-6 matrix was confirmed by scanning electron microscopy. DSC and time-resolved synchrotron X-ray diffraction were used to provide detailed information on the effect of SWNTs on the crystalline phase transition of nylon-6 in the nanocomposites. The incorporation of SWNTs accelerated the crystallization rate of nylon-6 due to a nucleating effect. The variable-temperature WAXS experiments, in both neat nylon-6 and nylon-6 nanocomposites, showed that the crystallization from the melt occured through the formation of the pseudo-hexagonal crystal form (gamma) and its transformation to the monoclinic form (alpha) on cooling. Additionally, this crystalline transition was reversible as observed upon heating. The alpha-gamma crystalline transformation temperature of nylon-6 was dependent on heating rate and, more importantly, on the SWNT content.

  6. Stresses of Single Parenting

    MedlinePlus

    ... ways to avoid the stress of being a single parent? Single parenthood can bring added pressure and stress ... share day-to-day responsibilities or decision-making, single parents must provide greater support for their children while ...

  7. 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.

  8. Wheel-shaped [Mn12] single-molecule magnets.

    PubMed

    Rumberger, Evan M; Shah, Sonali J; Beedle, Christopher C; Zakharov, Lev N; Rheingold, Arnold L; Hendrickson, David N

    2005-04-18

    The reaction of [Mn(12)O(12)(O(2)CCH(3))(16)(H(2)O)(4)].4H(2)O.2CH(3)COOH with n-methyldiethanol amine (H(2)mdea), n-ethyldiethanol amine (H(2)edea), or n-butyldiethanol amine (H(2)bdea) leads to the formation of wheel-shaped Mn(III)(6)Mn(II)(6) complexes with the general formula [Mn(12)(R)(O(2)CCH(3))(14)] (1, R = mdea; 2, R = edea; and 3, R = bdea). Complex 1 crystallizes in the triclinic space group P1, whereas complex 3 crystallizes in the monoclinic space group C(2/c). Complex 1a has the same molecular structure as complex 1 but crystallizes in the monoclinic space group P2(1/n). Complex 3a has the same molecular structure as complex 3 but crystallizes in the triclinic space group P1. Variable-temperature magnetic susceptibility data collected for complexes 1, 2, and 3 indicate that antiferromagnetic exchange interactions are present. The spin ground states of complexes 1, 2, and 3 were determined by fitting variable-field magnetization data collected in the 2-5 K temperature range. Fitting of these data yielded the spin ground-state parameters of S = 8, g = 2.0, and D = -0.47 cm(-1) for complex 1; S = 8, g = 2.0, and D = -0.49 cm(-1) for complex 2; and S = 8, g = 2, and D = -0.37 cm(-1) for complex 3. The ac magnetic susceptibility data were measured for complexes 1, 2, and 3 at temperatures between 1.8 and 10 K with a 3 G ac field oscillating in the range 50-1000 Hz. Slow kinetics of magnetization reversal relative to the frequency of the oscillating ac field were observed as frequency-dependent out-of-phase peaks for complexes 1, 2, and 3, and it can be concluded that these three complexes are single-molecule magnets.

  9. Synthesis, growth and spectral, optical and thermal characterization studies on L-Tryptophan p-nitrophenol (LTPN) single crystals for NLO applications.

    PubMed

    Suresh, P; Janarthanan, S; Sugaraj Samuel, R; Jestin Lenus, A; Shanthi, C

    2015-01-25

    The novel nonlinear optical single crystal of L-Tryptophan p-nitrophenol (LTPN) has been successfully synthesized by taking the appropriate amount of L-Tryptophan and p-nitrophenol. The single crystals have been grown by slow evaporation solution growth technique. The single crystal XRD studies confirmed that the grown crystal belongs to the monoclinic system. The various functional groups presented in the crystal were confirmed by FT-IR and (1)H NMR spectroscopic studies. The absorptions of the grown crystals were analyzed using UV-Vis-NIR spectral studies. The thermal analysis was performed to study the thermal stability of the grown crystals. The second harmonic generation behavior of L-Tryptophan p-nitrophenol crystal was tested by Kurtz-Perry powder technique.

  10. High Pressure Single Crystal Diffraction at PX^2

    PubMed Central

    Zhang, Dongzhou; Dera, Przemyslaw K.; Eng, Peter J.; Stubbs, Joanne E.; Zhang, Jin S.; Prakapenka, Vitali B.; Rivers, Mark L.

    2017-01-01

    In this report we describe detailed procedures for carrying out single crystal X-ray diffraction experiments with a diamond anvil cell (DAC) at the GSECARS 13-BM-C beamline at the Advanced Photon Source. The DAC program at 13-BM-C is part of the Partnership for Extreme Xtallography (PX^2) project. BX-90 type DACs with conical-type diamond anvils and backing plates are recommended for these experiments. The sample chamber should be loaded with noble gas to maintain a hydrostatic pressure environment. The sample is aligned to the rotation center of the diffraction goniometer. The MARCCD area detector is calibrated with a powder diffraction pattern from LaB6. The sample diffraction peaks are analyzed with the ATREX software program, and are then indexed with the RSV software program. RSV is used to refine the UB matrix of the single crystal, and with this information and the peak prediction function, more diffraction peaks can be located. Representative single crystal diffraction data from an omphacite (Ca0.51Na0.48)(Mg0.44Al0.44Fe2+0.14Fe3+0.02)Si2O6 sample were collected. Analysis of the data gave a monoclinic lattice with P2/n space group at 0.35 GPa, and the lattice parameters were found to be: a = 9.496 ±0.006 Å, b = 8.761 ±0.004 Å, c = 5.248 ±0.001 Å, β = 105.06 ±0.03º, α = γ = 90º. PMID:28117811

  11. High Pressure Single Crystal Diffraction at PX^2.

    PubMed

    Zhang, Dongzhou; Dera, Przemyslaw K; Eng, Peter J; Stubbs, Joanne E; Zhang, Jin S; Prakapenka, Vitali B; Rivers, Mark L

    2017-01-16

    In this report we describe detailed procedures for carrying out single crystal X-ray diffraction experiments with a diamond anvil cell (DAC) at the GSECARS 13-BM-C beamline at the Advanced Photon Source. The DAC program at 13-BM-C is part of the Partnership for Extreme Xtallography (PX^2) project. BX-90 type DACs with conical-type diamond anvils and backing plates are recommended for these experiments. The sample chamber should be loaded with noble gas to maintain a hydrostatic pressure environment. The sample is aligned to the rotation center of the diffraction goniometer. The MARCCD area detector is calibrated with a powder diffraction pattern from LaB6. The sample diffraction peaks are analyzed with the ATREX software program, and are then indexed with the RSV software program. RSV is used to refine the UB matrix of the single crystal, and with this information and the peak prediction function, more diffraction peaks can be located. Representative single crystal diffraction data from an omphacite (Ca0.51Na0.48)(Mg0.44Al0.44Fe(2+)0.14Fe(3+)0.02)Si2O6 sample were collected. Analysis of the data gave a monoclinic lattice with P2/n space group at 0.35 GPa, and the lattice parameters were found to be: a = 9.496 ±0.006 Å, b = 8.761 ±0.004 Å, c = 5.248 ±0.001 Å, β = 105.06 ±0.03º, α = γ = 90º.

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

    SciTech Connect

    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, 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.

  13. Single grain analysis on a nanoscale in ZrO2:Al2O3 nano-composites by means of high-resolution scanning transmission electron Microscopy

    NASA Astrophysics Data System (ADS)

    Brossmann, Ulrich; Albu, Mihaela; Hofer, Ferdinand; Würschum, Roland

    2016-12-01

    Nano-particulate powders of Al2O3:ZrO2 composites and the pure constituents were prepared by microwave plasma process synthesis and studied by high resolution scanning transmission electron microscopy. The ZrO2:Al2O3 nanocomposite samples showed a structure of randomly arranged, crystalline grains of both ZrO2 and Al2O3 with a size in the range of 3-5 nm. For each constituent, both cubic and monoclinic grains were observed. Similarly prepared, single phase Al2O3 nanoparticles were found to be completely amorphous. In the case of ZrO2, the crystallite size and the fraction of the monoclinic ZrO2 phase is noticeably reduced in the ZrO2:Al2O3 nanocomposite in comparison to single phase samples. The observation of ultra-small crystalline Al2O3 in the composite samples, is tentatively ascribed to a modification of the interface energy by the contact of Al2O3 and ZrO2 as well as a possible uptake of ZrO2 into the Al2O3 grains from the gas phase during synthesis.

  14. Raman spectroscopy of single-domain multiferroic BiFeO3

    NASA Astrophysics Data System (ADS)

    Palai, R.; Schmid, H.; Scott, J. F.; Katiyar, R. S.

    2010-02-01

    We report the investigation of polarized Raman spectroscopy of multiferroic bismuth ferrite (BiFeO3) from 81-273 K, using a ferroelectric/ferroelastic single-domain crystal with an as-grown pseudocubic (pc) (100)pc -oriented surface, compared with (001)pc thin film, grown by pulsed laser deposition. The polarized Raman spectra of the single crystal taken at different crystallographic orientations agree with the rhombohedral crystal structure with C3v point group, whereas the (001)pc thin film shows monoclinic structure, contrary to the bulklike rhombohedral and tetragonal structures reported earlier, but consistent with the recent synchrotron radiation studies. Earlier Raman scattering measurements on single crystals violated theoretical predictions. This may be due to mechanical polishing, which allows forbidden E (LO) scattering [J. F. Scott, J. Chem. Phys. 48, 874 (1968); J. F. Scott, J. Chem. Phys.49, 98 (1968)]. All of the different phonon vibrations ( A1 and E modes) in the single crystal have unambiguously been assigned.

  15. Single Custodial Fathers.

    ERIC Educational Resources Information Center

    Hanson, Shirley May Harmon

    This paper reviews literature from the past 10 years about single fathers. Statistics are presented to show the number of single fathers, their race, socioeconomic status, religion, age, and employment. Other issues discussed include an analysis of single fathers' parenting and homemaking skills, their motivation for custody, and visiting and…

  16. 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…

  17. Growth morphology of single-crystal grains obtained by directional crystallisation of an Al-Cu-Fe alloy

    NASA Astrophysics Data System (ADS)

    Surowiec, Marian; Bogdanowicz, Wlodzimierz; Krawczyk, Jacek; Formanek, Bolesław; Sozanska, Maria

    2011-07-01

    Quasicrystalline as well as crystalline faceted single grains of four phases were obtained during directional crystallisation of an Al-Cu-Fe alloy by the Bridgman technique. The monoclinic λ phase, Al13(Cu, Fe)4, dominating at high temperatures formed single-crystal lamellae 0.5 mm to 1 mm thick. A second type of attractive morphological form exhibiting flux dissolution terraces was observed on spherical single crystals of β phase Al(Fe, Cu). Rectangular, hexagonal and octagonal shaped dissolution terraces were revealed at the positions of two-, three- and four-fold symmetry axes, respectively. A single quasicrystalline ψ phase, Al6Cu2Fe, exhibited icosahedral symmetry with growth forms of a dodecahedron with pentagonal facets. The flux dissolution of the β phase apparently plays an essential role in a peritectic reaction leading to quasicrystalline ψ phase formation. Polygonal single grains of ω phase Al7Cu2Fe exhibiting tetragonal symmetry formed the fourth type of thermodynamically stable growth forms. Single grains of the ω phase crystallised in the form of pellets with an octagonal cross-section. The growth morphology of the stable phases was investigated by scanning electron microscopy. The chemical composition of the growth forms described was confirmed by X-ray microanalysis using a scanning electron microscope, whereas the phase composition was determined using electron selected area diffraction and X-ray powder diffraction.

  18. Living with a Single Parent

    MedlinePlus

    ... Happens in the Operating Room? Living With a Single Parent KidsHealth > For Kids > Living With a Single Parent ... single parents can be a great idea, too. Single Parents and Work Single parents are often working parents ...

  19. Living with a Single Parent

    MedlinePlus

    ... Video: Getting an X-ray Living With a Single Parent KidsHealth > For Kids > Living With a Single Parent ... single parents can be a great idea, too. Single Parents and Work Single parents are often working parents ...

  20. The temperature-dependent single-crystal Raman spectroscopy of a model dipeptide: L-Alanyl-L-alanine

    NASA Astrophysics Data System (ADS)

    Silva, J. G.; Arruda, L. M.; Pinheiro, G. S.; Lima, C. L.; Melo, F. E. A.; Ayala, A. P.; Filho, J. Mendes; Freire, P. T. C.

    2015-09-01

    A single-crystal of peptide L-alanyl-L-alanine (C6H12N2O3) was studied by Raman spectroscopy at low-temperature, and a tentative assignment of the normal modes was given. Evidence of a second order structural phase transition was found through Raman spectroscopy between the temperatures of 80 K and 60 K. Group theory considerations suggest that the transition leads the sample from the tetragonal to a monoclinic structure. Additionally, our study suggests that the mechanism for the structural phase transition is governed by the occupation of non-equivalent C1 local symmetry sites by the CH3 molecular groups. Analysis based on group theory suggests L-alanyl-L-alanine presents C2 symmetry at low temperatures.

  1. The temperature-dependent single-crystal Raman spectroscopy of a model dipeptide: L-Alanyl-L-alanine.

    PubMed

    Silva, J G; Arruda, L M; Pinheiro, G S; Lima, C L; Melo, F E A; Ayala, A P; Filho, J Mendes; Freire, P T C

    2015-09-05

    A single-crystal of peptide L-alanyl-L-alanine (C6H12N2O3) was studied by Raman spectroscopy at low-temperature, and a tentative assignment of the normal modes was given. Evidence of a second order structural phase transition was found through Raman spectroscopy between the temperatures of 80K and 60K. Group theory considerations suggest that the transition leads the sample from the tetragonal to a monoclinic structure. Additionally, our study suggests that the mechanism for the structural phase transition is governed by the occupation of non-equivalent C1 local symmetry sites by the CH3 molecular groups. Analysis based on group theory suggests L-alanyl-L-alanine presents C2 symmetry at low temperatures.

  2. Fergusonite-type CeNbO4+δ: Single crystal growth, symmetry revision and conductivity

    NASA Astrophysics Data System (ADS)

    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

    2013-08-01

    Large fergusonite-type (ABO4, 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 CeNbO4 grown in air contained CeNbO4.08 as a minor impurity that compromised structural analysis, the argon atmosphere yielded a single phase crystal of 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 conducted under argon found that stoichiometric CeNbO4 single crystals showed lower conductivity compared to CeNbO4+δ confirming interstitial oxygen can penetrate through fergusonite and is responsible for the higher conductivity associated with these oxides.

  3. 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.

  4. Single molecule and single cell epigenomics.

    PubMed

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

    2015-01-15

    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.

  5. Electric field induced monoclinic phase stability in Ca doped Na0.5Bi0.5TiO3: Case of 0.93Na0.5Bi0.5 TiO3 - 0.07CaTiO3 ferroelectric ceramics

    NASA Astrophysics Data System (ADS)

    Roukos, Roy; Geoffroy, Nicolas; Chaumont, Denis

    2017-01-01

    The ferroelectric perovskite complex 0.93Na0.5Bi0.5TiO3 - 0.07CaTiO3 (NBT -0.07CT) ceramics were studied by a simple X-ray diffraction upon application of an increasing electric field. It is shown that the field induced rhombohedral (R3c) to monoclinic (Cc) phase transition at room temperature. This induced phase is stable after removal the electric field. Our results has been interpreted by intrinsic polarization rotation theory, in comparison with Pb-base system such as PMT-PT, PZN-PT, …near the morphotropic phase boundary (MPB) region. Apparently, the NBT - 0.07CT pretends to have a ferroelectric and structural instability around room temperature.

  6. 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)

  7. Single Umbilical Artery

    PubMed Central

    Cairns, J. David; McKee, James

    1964-01-01

    A prospective study of 2000 obstetrical deliveries was undertaken to establish the incidence of single umbilical artery in the newborn and the frequency of congenital malformations reported to be associated with this disorder. Twenty cases of single umbilical artery were discovered; two proved to have an associated congenital malformation. In neither of these cases was medical management affected by the discovery of a single artery. In addition, the vascular arrangement in the cords of 31 concurrently occurring congenitally malformed babies was examined, and in no instance was a single umbilical artery found. PMID:14214230

  8. 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

  9. 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…

  10. 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

  11. 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

  12. 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.

  13. Single-cell nanosurgery.

    PubMed

    Zeigler, Maxwell B; Chiu, Daniel T

    2013-01-01

    This chapter explains the steps necessary to perform laser surgery upon single adherent mammalian cells, where individual organelles are extracted from the cells by optical tweezers and the cells are monitored post-surgery to check their viability. Single-cell laser nanosurgery is used in an increasing range of methodologies because it offers great flexibility. Its main advantages are (a) there is not any physical contact with the cells so they remain in a sterile environment, (b) high spatial selectivity so that single organelles can be extracted from specific areas of individual cells, (c) the method can be conducted in the cell's native media, and (d) in comparison to other techniques that target single cells, such as micromanipulators, laser nanosurgery has a comparatively high throughput.

  14. Synthesis, growth, optical and mechanical studies of ferroelectric urea-oxalic acid single crystals

    NASA Astrophysics Data System (ADS)

    Vizhi, R. Ezhil; Dhivya, R.; Babu, D. Rajan

    2016-10-01

    A single crystal of urea oxalic acid was grown by slow evaporation method. The lattice parameters are a=5.13 Å, b=12.48 Å, c=7.07 Å, β=98.13° with V=448.5 Å3 which belongs to monoclinic system with space group P21/c obtained from single crystal X-ray diffraction analysis. UV-visible spectrum was recorded from the wavelength region of 200-800 nm and its cutoff wavelength was found to be 270 nm. Optical energy band gap of 4.57 eV was determined using Tau's plot relation. Fourier transform infrared vibrational spectrum confirmed the presence of N-H asymmetric stretching which occurs at 3444 cm-1 and 1853 cm-1 arising due to the amide C=O symmetric stretching. The emission was observed at 364 nm from the photoluminescence spectrum. The mechanical stability of the grown crystal was estimated by Vickers microhardness studies and it is evident that the grown crystal belongs to soft material category. Hardness related parameters such as elastic stiffness constant, fracture mechanics, brittleness index and yield strength were also evaluated. The dielectric constant and dielectric loss of the grown crystal were carried out as a function of frequency for different temperatures.

  15. Single-photon sources

    NASA Astrophysics Data System (ADS)

    Lounis, Brahim; Orrit, Michel

    2005-05-01

    The concept of the photon, central to Einstein's explanation of the photoelectric effect, is exactly 100 years old. Yet, while photons have been detected individually for more than 50 years, devices producing individual photons on demand have only appeared in the last few years. New concepts for single-photon sources, or 'photon guns', have originated from recent progress in the optical detection, characterization and manipulation of single quantum objects. Single emitters usually deliver photons one at a time. This so-called antibunching of emitted photons can arise from various mechanisms, but ensures that the probability of obtaining two or more photons at the same time remains negligible. We briefly recall basic concepts in quantum optics and discuss potential applications of single-photon states to optical processing of quantum information: cryptography, computing and communication. A photon gun's properties are significantly improved by coupling it to a resonant cavity mode, either in the Purcell or strong-coupling regimes. We briefly recall early production of single photons with atomic beams, and the operation principles of macroscopic parametric sources, which are used in an overwhelming majority of quantum-optical experiments. We then review the photophysical and spectroscopic properties and compare the advantages and weaknesses of various single nanometre-scale objects used as single-photon sources: atoms or ions in the gas phase and, in condensed matter, organic molecules, defect centres, semiconductor nanocrystals and heterostructures. As new generations of sources are developed, coupling to cavities and nano-fabrication techniques lead to improved characteristics, delivery rates and spectral ranges. Judging from the brisk pace of recent progress, we expect single photons to soon proceed from demonstrations to applications and to bring with them the first practical uses of quantum information.

  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.

  17. Single-Mode VCSELs

    NASA Astrophysics Data System (ADS)

    Larsson, Anders; Gustavsson, Johan S.

    The only active transverse mode in a truly single-mode VCSEL is the fundamental mode with a near Gaussian field distribution. A single-mode VCSEL produces a light beam of higher spectral purity, higher degree of coherence and lower divergence than a multimode VCSEL and the beam can be more precisely shaped and focused to a smaller spot. Such beam properties are required in many applications. In this chapter, after discussing applications of single-mode VCSELs, we introduce the basics of fields and modes in VCSELs and review designs implemented for single-mode emission from VCSELs in different materials and at different wavelengths. This includes VCSELs that are inherently single-mode as well as inherently multimode VCSELs where higher-order modes are suppressed by mode selective gain or loss. In each case we present the current state-of-the-art and discuss pros and cons. At the end, a specific example with experimental results is provided and, as a summary, the most promising designs based on current technologies are identified.

  18. 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.

  19. Single Bubble Sonoluminescence

    NASA Astrophysics Data System (ADS)

    Farley, Jennifer; Hough, Shane

    2003-05-01

    Single Bubble Sonoluminescence is the emission of light from a single bubble suspended in a liquid caused by a continuum of repeated implosions due to pressure waves generated from a maintained ultrasonic sinusoidal wave source. H. Frenzel and H. Schultz first studied it in 1934 at the University of Cologne. It was not until 1988 with D.F. Gaitan that actual research began with single bubble sonoluminescence. Currently many theories exist attempting to explain the observed bubble phenomenon. Many of these theories require spherical behavior of the bubble. Observation of the bubble has shown that the bubble does not behave spherically in most cases. One explanation for this is known as jet theory. A spectrum of the bubble will give us the mean physical properties of the bubble such as temperature and pressure inside the bubble. Eventually, with the aide of fluorocene dye a full spectrum of the bubble will be obtained.

  20. Single-Cell Metabolomics.

    PubMed

    Emara, Samy; Amer, Sara; Ali, Ahmed; Abouleila, Yasmine; Oga, April; Masujima, Tsutomu

    2017-01-01

    The dynamics of a cell is always changing. Cells move, divide, communicate, adapt, and are always reacting to their surroundings non-synchronously. Currently, single-cell metabolomics has become the leading field in understanding the phenotypical variations between them, but sample volumes, low analyte concentrations, and validating gentle sample techniques have proven great barriers toward achieving accurate and complete metabolomics profiling. Certainly, advanced technologies such as nanodevices and microfluidic arrays are making great progress, and analytical techniques, such as matrix-assisted laser desorption ionization (MALDI), are gaining popularity with high-throughput methodology. Nevertheless, live single-cell mass spectrometry (LCSMS) values the sample quality and precision, turning once theoretical speculation into present-day applications in a variety of fields, including those of medicine, pharmaceutical, and agricultural industries. While there is still room for much improvement, it is clear that the metabolomics field is progressing toward analysis and discoveries at the single-cell level.

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. SINGLE CRYSTAL NEUTRON DIFFRACTION.

    SciTech Connect

    KOETZLE,T.F.

    2001-03-13

    Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.

  6. 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.

  7. Arrays vs. single telescopes

    NASA Astrophysics Data System (ADS)

    Johnson, H. L.

    The question of the relative efficiencies of telescope arrays versus an equivalent mirror-area very large telescope is re-examined and summarized. Four separate investigations by Bowen, Johnson and Richards, Code, and Disney all came to the same conclusion: that an array of telescopes is superior, both scientifically and economically, to a single very large telescope. The costs of recently completed telescopes are compared. The costs of arrays of telescopes are shown to be significantly lower than that of a single, very large telescope, with the further advantage that because existing, proven, designs can be used, no engineering 'break-throughs' are needed.

  8. Synthesis, spectral, thermal, X-ray single crystal of new RuCl2(dppb)diamine complexes and their application in hydrogenation of Cinnamic aldehyde

    NASA Astrophysics Data System (ADS)

    Warad, Ismail; Al-Hussain, Hanan; Al-Far, Rawhi; Mahfouz, Refaat; Hammouti, Belkheir; Hadda, Taibi Ben

    The preparation of new three trans-[RuCl2(dppb)(N-N)] with mixed diamine (N-N) and 1,4-bis-(diphenylphosphino)butane (dppb) ligands, starting from RuCl2(PPh3)3 as precursor is presented. The complexes are characterized on the basis of elemental analysis, IR, 1H, 13C and 31P{1H}NMR, FAB-MS, TG/DTA and single crystal X-ray diffraction studies. Complex (2L1) crystallizes in the monoclinic unit cells with the space group P21. The catalysts are evaluated for their Cinnamic aldehyde hydrogenation. The catalysts show excellent activity and selectivity for the unsaturated carbonyl compound under mild conditions.

  9. Crystal Structures of Ca-Free Pb 2Sr 2RCu 3O 8 ( R = La, Pr, Nd, Eu, Tb, and Dy) Single Crystals

    NASA Astrophysics Data System (ADS)

    Xue, J. S.; Greedan, J. E.; Maric, M.

    1993-02-01

    Structures of Pb2Sr2RCu3O8 have been determined by single crystal X-ray diffraction. A monoclinic symmetry (C2/m, Z = 2) was found for those crystals with R = Pr, Nd, and Tb, orthorhombic (Cmmm, Z = 2) for R = La, and tetragonal (P4/mmm, Z = 1) for R = Eu and Dy. The relationship among different crystal symmetries can be understood in terms of different oxygen orderings in the PbO layers driven by the Ph2+ lone pair orientation. There is evidence for a ∼ 9% deficiency in electron density at the R = Eu and Dy sites (and ∼ 4.5% for R = Tb) which has been confirmed by mass spectroscopy as being due to cation vacancies at these sites. Bond valence sum calculations have been performed to evaluate the strains existing in the crystal structures of Pb2Sr2RCu3O8.

  10. Temperature-dependent thermal conductivity and diffusivity of a Mg-doped insulating β-Ga2O3 single crystal along [100], [010] and [001

    NASA Astrophysics Data System (ADS)

    Handwerg, M.; Mitdank, R.; Galazka, Z.; Fischer, S. F.

    2016-12-01

    The monoclinic crystal structure of β-{{Ga}}2{{{O}}}3 leads to significant anisotropy of the thermal properties. The 2ω-method is used to measure the thermal diffusivity D in [010] and [001] direction respectively and to determine the thermal conductivity values λ of the [100], [010] and [001] direction from the same insulating Mg-doped β-{{Ga}}2{{{O}}}3 single crystal. We detect a temperature independent anisotropy factor of both the thermal diffusivity and conductivity values of {D}[010]/{D}[001]={λ }[010]/{λ }[001]=1.4+/- 0.1. The temperature dependence is in accord with phonon-phonon-Umklapp-scattering processes from 300 K down to 150 K. Below 150 K point-defect-scattering lowers the estimated phonon-phonon-Umklapp-scattering values.

  11. 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.

  12. 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.

  13. 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.…

  14. Beyond the Single Story

    ERIC Educational Resources Information Center

    McKenney, Yekaterina

    2016-01-01

    Teachers of world literature have the opportunity to help students explore the more complex reality behind the stereotypes that they often see in the media. If we don't encourage students to challenge one-dimensional "single stories" that characterize an entire people--whether Muslims, Russians, Mexicans, African Americans, Chinese,…

  15. Single Parent Families.

    ERIC Educational Resources Information Center

    Ryan, Patricia

    This booklet attempts to reassure single parents that they can raise healthy, happy children and provides some suggestions for parents' specific questions and concerns. The first section discusses the emotional stages children pass through when they lose a parent, ways to explain to children the loss of a parent, and ways to handle children's…

  16. Single molecules: Thermodynamic limits

    NASA Astrophysics Data System (ADS)

    Liphardt, Jan

    2012-09-01

    Technologies aimed at single-molecule resolution of non-equilibrium systems increasingly require sophisticated new ways of thinking about thermodynamics. An elegant extension to standard fluctuation theory grants access to the kinetic intermediate states of these systems -- as DNA-pulling experiments now demonstrate.

  17. 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…

  18. 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.

  19. Synthesis, growth, structure, mechanical and optical properties of a new semi-organic 2-methyl imidazolium dihydrogen phosphate single crystal

    SciTech Connect

    Nagapandiselvi, P.; Baby, C.; Gopalakrishnan, R.

    2016-09-15

    Highlights: • 2MIDP crystals were grown by slow evaporation solution growth technique. • Single crystal XRD revealed self-assembled supramolecular framework. • Z scan technique is employed for third order nonlinear optical susceptibility. • Structure-property correlation is established. - Abstract: A new semi-organic compound, 2-methyl imidazolium dihydrogen phosphate (2MIDP), was prepared and good quality single crystals of 2MIDP were grown by slow evaporation solution growth technique. Crystal structure elucidated using Single crystal XRD showed that 2MIDP crystallizes in monoclinic system with P2{sub 1}/c space group. FT-IR, UV-Vis-NIR, Fluorescence and FT-NMR spectra confirm the molecular structure of 2MIDP. The UV-Vis-NIR spectra established the suitability of the compound for NLO applications. TG-DSC showed that 2MIDP is thermally stable up to 200 °C. Mechanical characteristics like hardness number (H{sub v}), stiffness constant (C{sub 11}), yield strength (σ{sub v}), fracture toughness (K{sub c}) and brittleness index (B{sub i}) were assessed using Vicker’s microhardness tester. Third order nonlinear optical properties determined from Z-scan measurement using femto and picosecond lasers showed two photon reverse saturable absorption. The enhancement of nonlinear optical properties in femto second laser, revealed the suitability of 2MIDP for optical limiting applications.

  20. Domain structure analysis of Pb(Zn1/3Nb2/3)O3-9%PbTiO3 single crystals using optical second harmonic generation microscopy

    NASA Astrophysics Data System (ADS)

    Kaneshiro, Junichi; Uesu, Yoshiaki

    2010-11-01

    The domain structures of relaxor-ferroelectric Pb(Zn1/3Nb2/3)O3-9%PbTiO3 (PZN-9PT) single crystals with a morphotropic phase boundary (MPB) composition are observed with a scanning second harmonic generation (SHG) microscope. Three-dimensional domain structures are obtained from sectional SH images along the axial direction. The domain structures are explained well by the strain compatibility theory that is based on the ferroelectric/ferroelastic phase transition of m3¯mFm(p) with the monoclinic space group Pm . The SHG images are divided into several parts, and the light-polarization dependence (PolD) at each site is calculated by minimizing the least-squares errors of the nonlinear susceptibilities. The PolDs are fitted well by theoretical formulas of the SH intensities for the Pm symmetry, and the two-dimensional map of the PolD coincides well with the corresponding SHG image of the domain structures. The monoclinic Pm symmetry at the MPB of PZN-9PT is determined at the optical diffraction limit of 460 nm.

  1. 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...

  2. Single electron spintronics.

    PubMed

    Dempsey, Kari J; Ciudad, David; Marrows, Christopher H

    2011-08-13

    Single electron electronics is now well developed, and allows the manipulation of electrons one-by-one as they tunnel on and off a nanoscale conducting island. In the past decade or so, there have been concerted efforts in several laboratories to construct single electron devices incorporating ferromagnetic components in order to introduce spin functionality. The use of ferromagnetic electrodes with a non-magnetic island can lead to spin accumulation on the island. On the other hand, making the dot also ferromagnetic introduces new physics such as tunnelling magnetoresistance enhancement in the cotunnelling regime and manifestations of the Kondo effect. Such nanoscale islands are also found to have long spin lifetimes. Conventional spintronics makes use of the average spin-polarization of a large ensemble of electrons: this new approach offers the prospect of accessing the quantum properties of the electron, and is a candidate approach to the construction of solid-state spin-based qubits.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Structural, thermal and dielectric properties of cobaltous malonate single crystals grown in limited diffusion media

    NASA Astrophysics Data System (ADS)

    Lincy, A.; Mahalakshmi, V.; Tinto, A. J.; Thomas, J.; Saban, K. V.

    2010-11-01

    Well-faceted crystals of cobaltous malonate (C 6 H 12 Co 2 O 12) have been grown by the controlled diffusion of ionic species in hydrosilica gel. Single crystal X-ray diffraction studies show that the crystal belongs to the monoclinic system with space group C2/m. The unit cell dimensions are a=12.6301(9) Å, b=7.3857(9) Å, c=7.2945(7) Å, α= γ=90°, β=120.193(9)°. The functional groups, elucidated from the FT-IR spectrum, are in conformity with the information derived from the X-ray diffraction studies. The thermal behaviour of the material has been investigated using TG-DTA in the temperature range 30-1050 °C. The optical band gap of the sample is estimated using diffuse reflectance spectroscopy (DRS). The dielectric constant and dielectric loss of the crystal have been studied over wide temperature and frequency ranges. AC conductivity measurements reveal a thermally activated process and the mechanism behind the conduction process has been discussed.

  9. Single nanowire extinction spectroscopy.

    PubMed

    Giblin, Jay; Vietmeyer, Felix; McDonald, Matthew P; Kuno, Masaru

    2011-08-10

    Here we show the first direct extinction spectra of single one-dimensional (1D) semiconductor nanostructures obtained at room temperature utilizing a spatial modulation approach. (1) For these materials, ensemble averaging in conventional extinction spectroscopy has limited our understanding of the interplay between carrier confinement and their electrostatic interactions. (2-4) By probing individual CdSe nanowires (NWs), we have identified and assigned size-dependent exciton transitions occurring across the visible. In turn, we have revealed the existence of room temperature 1D excitons in the narrowest NWs.

  10. Single molecule diffraction.

    PubMed

    Spence, J C H; Doak, R B

    2004-05-14

    For solving the atomic structure of organic molecules such as small proteins which are difficult to crystallize, the use of a jet of doped liquid helium droplets traversing a continuous high energy electron beam is proposed as a means of obtaining electron diffraction patterns (serial crystallography). Organic molecules (such as small proteins) within the droplet (and within a vitreous ice jacket) may be aligned by use of a polarized laser beam. Iterative methods for solving the phase problem are indicated. Comparisons with a related plan for pulsed x-ray diffraction from single proteins in a molecular beam are provided.

  11. 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.

  12. 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.

  13. Single crystals of chitosan.

    PubMed

    Cartier, N; Domard, A; Chanzy, H

    1990-10-01

    Lamellar single crystals of chitosan were prepared at 125 degrees C by adding ammonia to a low DP fraction of chitosan dissolved in water. The crystals gave sharp electron diffraction diagrams which could be indexed in an orthorhombic P2(1)2(1)2(1) unit cell with a = 8.07 A, b = 8.44 A, c = 10.34 A. The unit cell contained two anti-parallel chitosan chains and no water molecules. It was found that cellulose microfibrils from Valonia ventricosa could act as nuclei for inducing the crystallization of chitosan on cellulose. This produced a shish-kebab morphology.

  14. A monoclinic polymorph of KY(PO(3))(4).

    PubMed

    Horchani-Naifer, Karima; Jouini, Anis; Férid, Mokhtar

    2008-05-17

    The title compound, potassium yttrium polyphosphate, KY(PO(3))(4), was synthesized using the flux method. The atomic arrangement consists of an infinite long-chain polyphosphate organization. Chains, with a period of four PO(4) tetra-hedra, run along the a-axis direction. Two other polymorphs of this phosphate are known, in space groups P21/n and C2/c.

  15. A monoclinic polymorph of KY(PO3)4

    PubMed Central

    Horchani-Naifer, Karima; Jouini, Anis; Férid, Mokhtar

    2008-01-01

    The title compound, potassium yttrium polyphosphate, KY(PO3)4, was synthesized using the flux method. The atomic arrangement consists of an infinite long-chain polyphosphate organization. Chains, with a period of four PO4 tetra­hedra, run along the a-axis direction. Two other polymorphs of this phosphate are known, in space groups P21/n and C2/c. PMID:21202436

  16. Single implant tooth replacement.

    PubMed

    Briley, T F

    1998-01-01

    It has been shown that direct bone anchorage of dental implants will provide long-term predictability for single tooth implants and multi-unit implants. The function of implant-supported restoration is now routinely achieved. The real challenge facing the restorative dentist and laboratory technician is to achieve optimal aesthetics. The learning objective of this article is to review the prosthodontic procedures essential to maximizing natural aesthetics in implant supported restorations. It will provide a review of master impression techniques, prepable titanium abutments and designing the cement on restoration. Particular emphasis is directed to the soft tissue model from which a series of sequenced techniques can be followed to achieve optimal aesthetics. Analysis of the implant alignment with regard to the neighboring teeth will result in having to make a choice of which prepable abutment will maximize the aesthetic result. The following case outlines how to replace a single missing tooth using an externally hexed implant system and a prefabricated titanium abutment on a 26-year-old male patient.

  17. 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

  18. Single-Mode VISAR

    SciTech Connect

    Krauter, Kerry

    2007-11-28

    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.

  19. 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.

  20. 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

  1. Presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of multiferroic (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} solid solution: A Rietveld study

    SciTech Connect

    Pandey, Rishikesh E-mail: aksingh.mst@itbhu.ac.in; Singh, Akhilesh Kumar E-mail: aksingh.mst@itbhu.ac.in

    2014-07-28

    We present here the results of structural studies on multiferroic (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} solid solution using Rietveld analysis on powder x-ray diffraction data in the composition range 0.35 ≤ x ≤ 0.55. The stability region of various crystallographic phases at room temperature for (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} is determined precisely. Structural transformation from pseudo-cubic (x ≤ 0.40) to tetragonal (x ≥ 0.50) phase is observed via phase coexistence region demarcating the morphotropic phase boundary. The morphotropic phase boundary region consists of coexisting tetragonal and monoclinic structures with space group P4mm and Pm, respectively, stable in composition range 0.41 ≤ x ≤ 0.49 as confirmed by Rietveld analysis. The results of Rietveld analysis completely rule out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier workers. A comparison between the bond lengths for “B-site cations-oxygen anions” obtained after Rietveld refinement, with the bond length calculated using Shannon-Prewitt ionic radii, reveals the ionic nature of B-O (Ni/Ti-O) bonds for the cubic phase and partial covalent character for the other crystallographic phases.

  2. Synthesis, Crystal Growth and Characterization of bis Dl-Valine Picrate Single Crystal for Second-Order Nonlinear Optical Applications

    NASA Astrophysics Data System (ADS)

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

    2013-08-01

    An organic compound Bis DL-Valine picrate (BDLVP) was synthesized successfully and single crystal was grown by slow evaporation solution growth method. The presence of functional groups in the compound was identified by FTIR spectral analysis. Single crystal X-ray diffraction study revealed that the grown crystal belongs to P21/n space group of monoclinic crystal system. Powder X-ray diffraction pattern was recorded to know the crystalline perfection of the grown crystal. The reaction mechanism, thermal decomposition stages and thermal stability of the grown crystal were studied by using TG/DTA analysis. From the UV-visible spectral study, the electronic band gap energy (Eg) of the grown crystal was found to be 2.43 eV. The second harmonic generation (SHG) efficiency of grown crystal was found to be 1.3 times higher than KDP crystal by using Kurtz powder SHG technique. The microhardness property of the grown crystal was examined by Vicker's microhardness test.

  3. 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.

  4. Hexameric RSF1010 helicase RepA: the structural and functional importance of single amino acid residues

    PubMed Central

    Ziegelin, Günter; Niedenzu, Timo; Lurz, Rudi; Saenger, Wolfram; Lanka, Erich

    2003-01-01

    In the known monoclinic crystals the 3-dimensional structure of the hexameric, replicative helicase RepA encoded by plasmid RSF1010 shows 6-fold rotational symmetry. In contrast, in the cubic crystal form at 2.55 Å resolution described here RepA has 3-fold symmetry and consists of a trimer of dimers. To study structure–function relationships, a series of repA deletion mutants and mutations yielding single amino acid exchanges were constructed and the respective gene products were analyzed in vivo and in vitro. Hexamerization of RepA occurs via the N-terminus and is required for NTP hydrolysis. The C-terminus is essential both for the interaction with the replication machinery and for the helicase activity. Functional analyses of RepA variants with single amino acid exchanges confirmed most of the predictions that were based on the published 3-dimensional structure. Of the five motifs conserved in family 4 helicases, all residues conserved in RepA and T7 gp4 helicases participate in DNA unwinding. Residues K42, E76, D77, D139 and H178, proposed to play key roles in catalyzing the hydrolysis of NTPs, are essential for RepA activity. Residue H178 of motif H3 couples nucleotide consumption to DNA strand separation. PMID:14530440

  5. 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.

  6. Mandibular First Molar with a Single Root and Single Canal

    PubMed Central

    Sooriaprakas, Chandrasekaran; Ballal, Suma; Velmurugan, Natanasabapathy

    2014-01-01

    Successful endodontic management of mandibular first molar with a single root and single canal is diagnosed with the aid of dental operating microscope and multiple angled radiographs. In addition all the mandibular molars and premolars were single rooted on either side. PMID:24715990

  7. 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.

  8. Single-Axis Accelerometer

    NASA Technical Reports Server (NTRS)

    Tucker, Dennis Stephen (Inventor); Capo-Lugo, Pedro A. (Inventor)

    2016-01-01

    A single-axis accelerometer includes a housing defining a sleeve. An object/mass is disposed in the sleeve for sliding movement therein in a direction aligned with the sleeve's longitudinal axis. A first piezoelectric strip, attached to a first side of the object and to the housing, is longitudinally aligned with the sleeve's longitudinal axis. The first piezoelectric strip includes a first strip of a piezoelectric material with carbon nanotubes substantially aligned along a length thereof. A second piezoelectric strip, attached to a second side of the object and to the housing, is longitudinally aligned with the sleeve's longitudinal axis. The second piezoelectric strip includes a second strip of the piezoelectric material with carbon nanotubes substantially aligned along a length thereof. A voltage sensor is electrically coupled to at least one of the first and second piezoelectric strips.

  9. 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.

  10. Single Parenting of the Adolescent.

    PubMed

    Carroll

    1991-06-01

    This article discusses issues that are of interest and concern to all parents of adolescents, but that may be particularly difficult for single parents to manage. It also provides a framework for examining the areas of similarity as well as difference between the adolescent and the single parent. Attention is paid to the potential advantages of single-parent status.

  11. 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…

  12. 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.

  13. A single particle energies

    SciTech Connect

    Bodmer, A.R. |; Usmani, Q.N.; Sami, M.

    1993-09-01

    We consider the binding energies of {Lambda} hypernuclei (HN), in particular the single-particle (s.p.) energy data, which have been obtained for a wide range of HN with mass numbers A {le} 89 and for orbital angular momenta {ell}{sub {Lambda}} {le} 4. We briefly review some of the relevant properties of A hypernuclei. These are nuclei {sub {Lambda}}{sup A}Z with baryon number A in which a single {Lambda} hyperon (baryon number = 1) is bound to an ordinary nucleus {sup A}Z consisting of A - 1 nucleons = Z protons + N neutrons. The {Lambda} hyperon is neutral, has spin 1/2, strangeness S = {minus}1, isospin I = O and a mass M{sub {Lambda}} = 1116 MeV/c{sup 2}. Although the {Lambda} interacts with a nucleon, its interaction is only about half as strong as that between two nucleons, and thus very roughly V{sub {Lambda}N} {approx} 0.5 V{sub NN}. As a result, the two-body {Lambda}N system is unbound, and the lightest bound HN is the three-body hypertriton {sub {Lambda}}{sup 3}H in which the {Lambda} is bound to a deuteron with the {Lambda}-d separation energy being only {approx} 0.1 MeV corresponding to an exponential tail of radius {approx} 15 fm! In strong interactions the strangeness S is of course conserved, and the {Lambda} is distinct from the nucleons. In a HN strangeness changes only in the weak decays of the {Lambda} which can decay either via ``free`` pionic decay {Lambda} {yields} N + {pi} or via induced decay {Lambda} + N {yields} N + N which is only possible in the presence of nucleons. Because of the small energy release the pionic decay is strongly suppressed in all but the lightest HN and the induced decay dominates. However, the weak decay lifetime {approx} 10{sup {minus}10}s is in fact close to the lifetime of a free {Lambda}. Since this is much longer than the strong interaction time {approx} 10{sup {minus}22}s we can ignore the weak interactions when considering the binding of HN, just as for ordinary nuclei.

  14. 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.

  15. 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.

  16. Single slip dynamics

    NASA Astrophysics Data System (ADS)

    Bizzarri, Andrea; Petri, Alberto

    2016-12-01

    In the present paper we consider a 1-D, single spring-slider analog model of fault and we solve the equation of motion within the coseismic time window. We incorporate in the dynamic problem different rheologic behavior, starting from the Coulomb friction (which postulates a constant value of the dynamic resistance), then the viscous rheology (where the friction resistance linearly depends on the sliding speed), and finally a version of the more refined rate-and state-dependent friction law. We present analytical solutions of the equation of motion for the different cases and we are able to find the common features of the solutions, in terms of the most important physical observables characterizing the solutions of a 1-D dynamic fault problem; the peak slip velocity, the time at which it is attained (or, in other words, the so-called rise time), the total cumulative slip developed at the end of the process (assumed to occur when the sliding speed vanishes or become comparable to its initial value). We also extract some useful dependences of these quantities on the parameters of the models. Finally, we compare the spectral behavior of the resulting sliding velocity and its fall-off at high frequencies.

  17. Non-covalent interactions in 2-methylimidazolium copper(II) complex (MeImH)2[Cu(pfbz)4]: Synthesis, characterization, single crystal X-ray structure and packing analysis

    NASA Astrophysics Data System (ADS)

    Sharma, Raj Pal; Saini, Anju; Kumar, Santosh; Kumar, Jitendra; Sathishkumar, Ranganathan; Venugopalan, Paloth

    2017-01-01

    A new anionic copper(II) complex, (MeImH)2 [Cu(pfbz)4] (1) where, MeImH = 2-methylimidazolium and pfbz = pentafluorobenzoate has been isolated by reacting copper(II) sulfate pentahydrate, pentafluorobenzoic acid and 2-methylimidazole in ethanol: water mixture in 1:2:2 molar ratio. This complex 1 has been characterized by elemental analysis, thermogravimetric analysis, spectroscopic techniques (UV-Vis, FT-IR) and conductance measurements. The complex salt crystallizes in monoclinic crystal system with space group C2/c. Single crystal X-ray structure determination revealed the presence of discrete ions: [Cu(pfbz)4]2- anion and two 2-methylimidazolium cation (C4H7N2)+. The crystal lattice is stabilized by strong hydrogen bonding and F⋯F interactions between cationic-anionic and the anionic-anionic moieties respectively, besides π-π interactions.

  18. Structure of Wallach's compound. Single-crystal x-ray structure determination of trans-2,5-bis(trichloromethyl)-N-(1'-hydroxy-2',2',2'-trichloroethyl)-4-imino-1,3-dioxolane

    SciTech Connect

    Irving, A.; Irving, H.M.N.H.; Koch, K.R.

    1987-04-01

    The structure of Wallach's compound, C/sub 7/H/sub 4/O/sub 3/NCl/sub 9/, prepared in 1874 from concentrated aqueous solutions of potassium cyanide and chloral hydrate, has long been undecided. By single crystal X-ray crystallography it has now been established as trans-2,5-bis(trichloromethyl)-N-(1'-hydroxy-2',2',2'-trichloroethyl)-4-imino-1,3-dioxolane, confirming the tentative assignment by /sup 1/H and /sup 13/C NMR spectrography. The title compound is monoclinic, P2/sub 1//c; a = 8.445 (1), b = 10.948(1), c = 17.923(4) A; ..beta.. = 94.36(1)/sup 0/; Z = 4. The structure was solved by direct methods, from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer, and refined by least squares to a final R value of 0.041 using 2101 reflections.

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

    NASA Astrophysics Data System (ADS)

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

    2013-09-01

    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.

  20. 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

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

    2013-09-21

    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.

  1. 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.

  2. 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.

  3. 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.

  4. 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).

  5. 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.

    PubMed

    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 mm(3)) 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 (1)H 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).

  6. Single well electric oil stimulation

    SciTech Connect

    Perkins, Th. K.

    1985-06-11

    A single well method and apparatus for electrically applying heat and stimulating is comprised of a relatively lower surface area formation electrode and relatively high surface area overburden electrode extending downward into the borehole past low resistivity water zones. This long overburden electrode may be formed of nonmagnetic metal to reduce hysteresis losses in the electrode. This improved single well system causes most of power to be dissipated in the oil pay zone and thereby renders single well production economical.

  7. 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

  8. 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.

  9. 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,...

  10. Assessing Dimensions of Single Parenting: The Single Parenting Questionnaire.

    ERIC Educational Resources Information Center

    Stolberg, Arnold L.; Ullman, Ann J.

    1984-01-01

    Developed and validated an instrument that assesses five dimensions of single parenting: problem solving skills, parental warmth, discipline procedures, parent rules, enthusiasm for parenting and parent support systems. Results gave statistical support for the Single Parenting Questionnaire, suggesting it may be useful in both clinical and…

  11. Single-cavity SLED device

    SciTech Connect

    Lippmann, B.A.

    1984-09-01

    The conventional SLED device used at SLAC requires two cavities. However, the same effect can be obtained with a single cavity; the theory and operation of the device is the same, only the hardware is changed. The single-cavity device is described here.

  12. 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…

  13. Synthesis, growth, optical and anisotropic mechanical behaviour of organic nonlinear optical imidazolium 2-chloro-4-nitrobenzoate single crystals

    NASA Astrophysics Data System (ADS)

    Krishnakumar, Varadharajan; Jayaprakash, Jeyaram; Boobas, Singaram; Komathi, Muniraj

    2016-10-01

    The title compound, imidazolium 2-chloro-4-nitrobenzoate (I2C4NB), has been synthesized and optical quality single crystals were grown with a dimension of 4 × 2 × 1 mm3 using an ethanol and acetone (1:1) mixed solvent by slow evaporation solution growth technique. The powder XRD analysis confirmed the crystal structure and found that it is crystallized in the non-centrosymmetric space group P21 with the monoclinic system. The symmetries of molecular vibrations were confirmed by FT-IR spectrum. The CHN(S) analysis confirmed the stoichiometric composition of the grown crystal. It also exhibits a good transparency in the entire visible region (300-800nm) and it was thermally stable up to 131.1 °C. The microhardness measurement shows the anisotropic nature of I2C4NB and also that it belongs to a soft material category. Photoconductivity studies reveal a linear increase of the photocurrent with respect to the applied electric field. HOMO LUMO studies were carried out for the crystal. The second harmonic generation test by the Kurtz powder method shows that the crystal exhibits phase matching and a conversion efficiency which is 2 times that of KDP.

  14. Composition and temperature-dependent phase transition in miscible Mo1−xWxTe2 single crystals

    PubMed Central

    Lv, Yang-Yang; Cao, Lin; Li, Xiao; Zhang, Bin-Bin; Wang, Kang; Bin Pang, B P; Ma, Ligang; Lin, Dajun; Yao, Shu-Hua; Zhou, Jian; Chen, Y. B.; Dong, Song-Tao; Liu, Wenchao; Lu, Ming-Hui; Chen, Yulin; Chen, Yan-Feng

    2017-01-01

    Transition metal dichalcogenides (TMDs) WTe2 and MoTe2 with orthorhombic Td phase, being potential candidates as type-II Weyl semimetals, are attracted much attention recently. Here we synthesized a series of miscible Mo1−xWxTe2 single crystals by bromine vapor transport method. Composition-dependent X-ray diffraction and Raman spectroscopy, as well as composition and temperature-dependent resistivity prove that the tunable crystal structure (from hexagonal (2H), monoclinic (β) to orthorhombic (Td) phase) can be realized by increasing W content in Mo1−xWxTe2. Simultaneously the electrical property gradually evolves from semiconductor to semimetal behavior. Temperature-dependent Raman spectroscopy proves that temperature also can induce the structural phase transition from β to Td phase in Mo1−xWxTe2 crystals. Based on aforementioned characterizations, we map out the temperature and composition dependent phase diagram of Mo1−xWxTe2 system. In addition, a series of electrical parameters, such as carrier type, carrier concentration and mobility, have also been presented. This work offers a scheme to accurately control structural phase in Mo1−xWxTe2 system, which can be used to explore type-II Weyl semimetal, as well as temperature/composition controlled topological phase transition therein. PMID:28294191

  15. Growth and characterization of a single crystal of Urea Adipic acid (UAA)--a third order nonlinear optical material.

    PubMed

    Shanthi, A; Krishnan, C; Selvarajan, P

    2014-03-25

    An organic single crystal of Urea Adipic acid (UAA) was successfully grown in methanol solvent by slow solvent evaporation technique at room temperature (30 °C). The structure of grown crystal was elucidated from the X-ray diffraction study and it belongs to monoclinic system with centrosymmetric space group P21/c. The optical transmission spectrum of UAA has been recorded and its theoretical calculations were carried out to determine the linear optical constants such as linear absorption coefficient, extinction coefficient, refractive index and reflectance etc. The third-order nonlinearities of UAA crystal have been investigated by Z-scan method. The values of nonlinear refractive index (n2), the absorption coefficient (β) and third-order nonlinear susceptibility (χ((3))) are found to be the order of 0.96×10(-10) cm(2)/W, 1.248×10(-4) cm/W and 6.44×10(-8) esu respectively. Fourier Transform Infra Red and Raman spectroscopy studies reveal the intermolecular interactions present in the UAA sample. The dielectric and mechanical measurements of the title compound are also reported.

  16. Growth and characterization of a single crystal of Urea Adipic acid (UAA) - A third order nonlinear optical material

    NASA Astrophysics Data System (ADS)

    Shanthi, A.; Krishnan, C.; Selvarajan, P.

    2014-03-01

    An organic single crystal of Urea Adipic acid (UAA) was successfully grown in methanol solvent by slow solvent evaporation technique at room temperature (30 °C). The structure of grown crystal was elucidated from the X-ray diffraction study and it belongs to monoclinic system with centrosymmetric space group P21/c. The optical transmission spectrum of UAA has been recorded and its theoretical calculations were carried out to determine the linear optical constants such as linear absorption coefficient, extinction coefficient, refractive index and reflectance etc. The third-order nonlinearities of UAA crystal have been investigated by Z-scan method. The values of nonlinear refractive index (n2), the absorption coefficient (β) and third-order nonlinear susceptibility (χ(3)) are found to be the order of 0.96 × 10-10 cm2/W, 1.248 × 10-4 cm/W and 6.44 × 10-8 esu respectively. Fourier Transform Infra Red and Raman spectroscopy studies reveal the intermolecular interactions present in the UAA sample. The dielectric and mechanical measurements of the title compound are also reported.

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

    NASA Astrophysics Data System (ADS)

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

    2013-08-01

    Two different phase pure materials (Bi2S3 and Bi2P4O13) have been prepared under different conditions using the same single source precursors. Solvothermal decomposition of the complexes, Bi{S2P(OR)2}3 [where, R=Methyl (Me) (1), Ethyl (Et) (2), n-Propyl (Prn) (3) and iso-Propyl (Pri) (4)] in ethylene glycol gave orthorhombic bismuth sulfide nanorods, whereas aerosol assisted chemical vapor deposition (AACVD) of the same precursors deposited monoclinic bismuth tetraphosphate (Bi2P4O13) 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 Bi2P4O13 thin films were also carried out.

  18. Growth and characterization of Bis(L-threonine) copper (II) monohydrate single crystals: A semiorganic second order nonlinear optical material

    NASA Astrophysics Data System (ADS)

    Subhashini, R.; Sathya, D.; Sivashankar, V.; Latha Mageshwari, P. S.; Arjunan, S.

    2016-12-01

    Highly transparent solitary nonlinear semiorganic optical material Bis(L-threonine) copper (II) monohydrate [BLTCM], was synthesized by a conventional slow evaporation solution growth technique. The grown crystals were subjected to structural, optical, electrical, thermal, mechanical, SHG and Laser damage threshold studies. Single crystal XRD shows that the material crystallizes in monoclinic system with noncentrosymmetric space group P21. FT-IR and FT-RAMAN analyses confirm the various functional groups present in the grown crystal. The transparency range of BLTCM was determined by UV-vis-NIR studies and various optical constants such as extinction coefficient (K), refractive index, optical conductivity and electric susceptibility with real and imaginary parts of dielectric constant were calculated using the transmittance data which have applications in optoelectronic devices. Dielectric studies of the crystal were carried out at different frequencies and temperatures to analyze the electrical properties. TGA and DSC analyses were performed to study the thermal behaviour of the sample. The hardness stability of the grown specimen was investigated by Vickers microhardness test. The output intensity of second harmonic generation was confirmed using the Kurtz and Perry powder method. The laser induced surface damage threshold of the crystal was measured using Nd:YAG laser.

  19. Self-Phase-Matched Second-Harmonic and White-Light Generation in a Biaxial Zinc Tungstate Single Crystal

    PubMed Central

    Osewski, Pawel; Belardini, Alessandro; Petronijevic, Emilija; Centini, Marco; Leahu, Grigore; Diduszko, Ryszard; Pawlak, Dorota A.; Sibilia, Concita

    2017-01-01

    Second-order nonlinear optical materials are used to generate new frequencies by exploiting second-harmonic generation (SHG), a phenomenon where a nonlinear material generates light at double the optical frequency of the input beam. Maximum SHG is achieved when the pump and the generated waves are in phase, for example through birefringence in uniaxial crystals. However, applying these materials usually requires a complicated cutting procedure to yield a crystal with a particular orientation. Here we demonstrate the first example of phase matching under the normal incidence of SHG in a biaxial monoclinic single crystal of zinc tungstate. The crystal was grown by the micro-pulling-down method with the (102) plane perpendicular to the growth direction. Additionally, at the same time white light was generated as a result of stimulated Raman scattering and multiphoton luminescence induced by higher-order effects such as three-photon luminescence enhanced by cascaded third-harmonic generation. The annealed crystal offers SHG intensities approximately four times larger than the as grown one; optimized growth and annealing conditions may lead to much higher SHG intensities. PMID:28338074

  20. Composition and temperature-dependent phase transition in miscible Mo1‑xWxTe2 single crystals

    NASA Astrophysics Data System (ADS)

    Lv, Yang-Yang; Cao, Lin; Li, Xiao; Zhang, Bin-Bin; Wang, Kang; Bin Pang; Ma, Ligang; Lin, Dajun; Yao, Shu-Hua; Zhou, Jian; Chen, Y. B.; Dong, Song-Tao; Liu, Wenchao; Lu, Ming-Hui; Chen, Yulin; Chen, Yan-Feng

    2017-03-01

    Transition metal dichalcogenides (TMDs) WTe2 and MoTe2 with orthorhombic Td phase, being potential candidates as type-II Weyl semimetals, are attracted much attention recently. Here we synthesized a series of miscible Mo1‑xWxTe2 single crystals by bromine vapor transport method. Composition-dependent X-ray diffraction and Raman spectroscopy, as well as composition and temperature-dependent resistivity prove that the tunable crystal structure (from hexagonal (2H), monoclinic (β) to orthorhombic (Td) phase) can be realized by increasing W content in Mo1‑xWxTe2. Simultaneously the electrical property gradually evolves from semiconductor to semimetal behavior. Temperature-dependent Raman spectroscopy proves that temperature also can induce the structural phase transition from β to Td phase in Mo1‑xWxTe2 crystals. Based on aforementioned characterizations, we map out the temperature and composition dependent phase diagram of Mo1‑xWxTe2 system. In addition, a series of electrical parameters, such as carrier type, carrier concentration and mobility, have also been presented. This work offers a scheme to accurately control structural phase in Mo1‑xWxTe2 system, which can be used to explore type-II Weyl semimetal, as well as temperature/composition controlled topological phase transition therein.

  1. Self-Phase-Matched Second-Harmonic and White-Light Generation in a Biaxial Zinc Tungstate Single Crystal

    NASA Astrophysics Data System (ADS)

    Osewski, Pawel; Belardini, Alessandro; Petronijevic, Emilija; Centini, Marco; Leahu, Grigore; Diduszko, Ryszard; Pawlak, Dorota A.; Sibilia, Concita

    2017-03-01

    Second-order nonlinear optical materials are used to generate new frequencies by exploiting second-harmonic generation (SHG), a phenomenon where a nonlinear material generates light at double the optical frequency of the input beam. Maximum SHG is achieved when the pump and the generated waves are in phase, for example through birefringence in uniaxial crystals. However, applying these materials usually requires a complicated cutting procedure to yield a crystal with a particular orientation. Here we demonstrate the first example of phase matching under the normal incidence of SHG in a biaxial monoclinic single crystal of zinc tungstate. The crystal was grown by the micro-pulling-down method with the (102) plane perpendicular to the growth direction. Additionally, at the same time white light was generated as a result of stimulated Raman scattering and multiphoton luminescence induced by higher-order effects such as three-photon luminescence enhanced by cascaded third-harmonic generation. The annealed crystal offers SHG intensities approximately four times larger than the as grown one; optimized growth and annealing conditions may lead to much higher SHG intensities.

  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. 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.

  4. Formation of a dinuclear copper(II) complex through the cleavage of CN bond of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole

    NASA Astrophysics Data System (ADS)

    Shardin, Rosidah; Pui, Law Kung; Yamin, Bohari M.; Kassim, Mohammad B.

    2014-09-01

    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 CbenzoylN 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 (ɛ = 116 dm3 mol-1 cm-1) supports the presence of Cu(II) centres.

  5. Single element magnetic suspension actuator

    NASA Technical Reports Server (NTRS)

    Groom, Nelson J. (Inventor)

    1991-01-01

    The invention, a single element magnetic suspension actuator with bidirectional force capability along a single axis, includes an electromagnet and a nonmagnetic suspended element. A permanent magnet mounted on the suspended element interacts with a magnetic field established by the electromagnet to produce bidirectional forces in response to a variable force command voltage V (sub FC) applied to the electromagnet. A sensor measures the position of the suspended element on the single axis which is a function of force command voltage V (sub FC).

  6. Single-interface Casimir torque

    NASA Astrophysics Data System (ADS)

    Morgado, Tiago A.; Silveirinha, Mário G.

    2016-10-01

    A different type of Casimir-type interaction is theoretically predicted: a single-interface torque at a junction of an anisotropic material and a vacuum or another material system. The torque acts to reorient the polarizable microscopic units of the involved materials near the interface, and thus to change the internal structure of the materials. The single-interface torque depends on the zero-point energy of the interface localized and extended modes. Our theory demonstrates that the single-interface torque is essential to understand the Casimir physics of material systems with anisotropic elements and may influence the orientation of the director of nematic liquid crystals.

  7. 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

  8. Drawing with a Single Line.

    ERIC Educational Resources Information Center

    Johnson, Carole Austen; Anderson, Lorraine

    1979-01-01

    Described is a method of tapping students' creative potential in art: the Spontaneous Response Drawing. SRD consists of drawing with a single line, usually with crayons or colored felt tip pens on a large sheet of paper. (KC)

  9. 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.

  10. Growth, spectral, thermal, laser damage threshold, microhardness, dielectric, linear and nonlinear optical properties of an organic single crystal: L-phenylalanine DL-mandelic acid

    NASA Astrophysics Data System (ADS)

    Jayaprakash, P.; Peer Mohamed, M.; Krishnan, P.; Nageshwari, M.; Mani, G.; Lydia Caroline, M.

    2016-12-01

    Single crystals of L-phenylalanine dl-mandelic acid [C9H11NO2. C8H8O3], have been grown by the slow evaporation technique at room temperature using aqueous solution. The single crystal XRD study confirms monoclinic system for the grown crystal. The functional groups present in the grown crystal have been identified by FTIR and FT-Raman analyses. The optical absorption studies show that the crystal is transparent in the visible region with a lower cut-off wavelength of 257 nm and the optical band gap energy Eg is determined to be 4.62 eV. The Kurtz powder second harmonic generation was confirmed using Nd:YAG laser with fundamental wavelength of 1064 nm. Further, the thermal studies confirmed no weight loss up to 150°C for the as-grown crystal. The photoluminescence spectrum exhibited three peaks (414 nm, 519 nm, 568 nm) due to the donation of protons from carboxylic acid to amino group. Laser damage threshold value was found to be 4.98 GW/cm2. The Vickers microhardness test was carried out on the grown crystals and there by Vickers hardness number (Hv), work hardening coefficient (n), yield strength (σy), stiffness constant C11 were evaluated. The dielectric behavior of the crystal has been determined in the frequency range 50 Hz-5 MHz at various temperatures.

  11. 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

  12. Self-assembled supramolecular structure of 1-methyl piperazinium 4-nitrophenolate 4-nitrophenol monohydrate single crystal: Synthesis, growth, thermal and photo physical properties

    NASA Astrophysics Data System (ADS)

    Nagapandiselvi, P.; Baby, C.; Gopalakrishnan, R.

    2015-08-01

    A new photoactive organic crystal, 1-methyl piperazinium 4-nitrophenolate-4-nitrophenol monohydrate (MP4NPM) has been synthesised at 35 °C. Good quality single crystals of MP4NPM have successfully been grown by slow evaporation solution growth technique. Single crystal X-ray diffraction analysis shows that MP4NPM belongs to monoclinic crystal system with space group P21/n. The molecular structure was further confirmed by modern spectroscopic techniques like FT-NMR (both 1D and 2D), FT-IR, UV-Vis-NIR and fluorescence. The UV-Vis-NIR spectrum was performed to understand the range of optical transparency and the results showed its suitability for nonlinear optical applications. Fluorescence emission revealed that MP4NPM can serve as a photo active material. Thermal properties of MP4NPM were investigated using simultaneous TG-DSC analysis. Frequency and temperature dependent dielectric properties were studied in the frequency range 500 Hz-5 MHz and 40-50 °C, respectively. Vicker's microhardness measurements revealed that MP4NPM belongs to the category of soft material. Kurtz and Perry powder technique shows that MP4NPM has SHG efficiency 0.89 times that of potassium dihydrogen phosphate (KDP).

  13. Self-assembled supramolecular structure of 1-methyl piperazinium 4-nitrophenolate 4-nitrophenol monohydrate single crystal: Synthesis, growth, thermal and photo physical properties.

    PubMed

    Nagapandiselvi, P; Baby, C; Gopalakrishnan, R

    2015-08-05

    A new photoactive organic crystal, 1-methyl piperazinium 4-nitrophenolate-4-nitrophenol monohydrate (MP4NPM) has been synthesised at 35 °C. Good quality single crystals of MP4NPM have successfully been grown by slow evaporation solution growth technique. Single crystal X-ray diffraction analysis shows that MP4NPM belongs to monoclinic crystal system with space group P2₁/n. The molecular structure was further confirmed by modern spectroscopic techniques like FT-NMR (both 1D and 2D), FT-IR, UV-Vis-NIR and fluorescence. The UV-Vis-NIR spectrum was performed to understand the range of optical transparency and the results showed its suitability for nonlinear optical applications. Fluorescence emission revealed that MP4NPM can serve as a photo active material. Thermal properties of MP4NPM were investigated using simultaneous TG-DSC analysis. Frequency and temperature dependent dielectric properties were studied in the frequency range 500 Hz-5 MHz and 40-50 °C, respectively. Vicker's microhardness measurements revealed that MP4NPM belongs to the category of soft material. Kurtz and Perry powder technique shows that MP4NPM has SHG efficiency 0.89 times that of potassium dihydrogen phosphate (KDP).

  14. Growth, optical, thermal, mechanical and dielectric studies of sodium succinate hexahydrate (β phase) single crystal: A promising third order NLO material

    NASA Astrophysics Data System (ADS)

    Mageshwari, P. S. Latha; Priya, R.; Krishnan, S.; Joseph, V.; Das, S. Jerome

    2016-11-01

    A third order nonlinear optical (NLO)single crystals of sodium succinate hexahydrate (SSH) (β phase) has been grown by a slow evaporation growth technique using aqueous solution at ambient temperature. The lattice parameters and morphology of SSH were determined by single crystal X-ray diffraction analysis. SSH crystallizes in centrosymmetric monoclinic system with space group P 21 / c and the crystalline purity was analyzed by powder X-ray diffraction analysis. The UV-vis-NIR spectrum reveals that the crystal is transparent in the entire visible region. The recorded FT-IR spectrum verified the presence of various functional groups in the material. NMR analysis of the grown crystal confirms the structural elucidation and detects the major and minor functional groups present in the title compound. ICP-OES analysis proved the presence of sodium in SSH. TG-DTA/DSCanalysis was used to investigate the thermal stability of the material. The dielectric permittivity and dielectric loss of SSH were carried out as a function of frequency for different temperatures and the results were discussed. The mechanical stability was evaluated from Vicker's microhardness test. The third order nonlinear optical properties of SSH has been investigated employing Z-scan technique with He-Ne laser operating at 632.8 nm wavelength.

  15. 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.

  16. 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.

  17. 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.

  18. Creep of Oxide Single Crystals

    DTIC Science & Technology

    1990-08-01

    literature data on Gd 3Ga5O1 2 (8) indicate that garnets may be highly deformation resistant at temperatures very close to their melting points...Data for Yttrium Aluminum Garnet Single Crystals Temperature Stress Creep Rate (sec 1 ) for Given Stress Direction (0C) (MPa) [111] [110] [100] 1650...Gadolinium Gallium Garnet Single Crystals," J.Mat.Sci., 17, 878-884 (1982). 9. B.M. Wanklyn, Clarendon Laboratory, personal communicaticn. 10. S.B. Austerman

  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 atom impurity in a single molecular transistor

    NASA Astrophysics Data System (ADS)

    Ray, S. J.

    2014-10-01

    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.

  1. Force spectroscopy on single passive biomolecules and single biomolecular bonds

    NASA Astrophysics Data System (ADS)

    Merkel, Rudolf

    2001-06-01

    This article describes the recent development of the rapidly expanding field of single molecule force spectroscopy. As the advancement of this field was dictated by technical progress, a large part of this review is focussed on methodological aspects. Moreover, several instructive experiments will be presented. However, it is already impossible to cover the whole field in one review article. Experiments on stretching of single polymers, on force induced dissociation of single bonds, and on unfolding of multidomain proteins are covered whereas active molecules (molecular motors) will be excluded. The physical interpretation of the selected experiments is addressed. The connection between the experimental results and the underlying microscopic properties of the molecules and their respective bonds will be discussed. Especially kinetic effects are of high importance for the interpretation of these experiments.

  2. 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.

  3. Plant single-cell and single-cell-type metabolomics.

    PubMed

    Misra, Biswapriya B; Assmann, Sarah M; Chen, Sixue

    2014-10-01

    In conjunction with genomics, transcriptomics, and proteomics, plant metabolomics is providing large data sets that are paving the way towards a comprehensive and holistic understanding of plant growth, development, defense, and productivity. However, dilution effects from organ- and tissue-based sampling of metabolomes have limited our understanding of the intricate regulation of metabolic pathways and networks at the cellular level. Recent advances in metabolomics methodologies, along with the post-genomic expansion of bioinformatics knowledge and functional genomics tools, have allowed the gathering of enriched information on individual cells and single cell types. Here we review progress, current status, opportunities, and challenges presented by single cell-based metabolomics research in plants.

  4. 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

  5. Synthesis, characterization and phase transitions of single-crystalline vanadium(IV) oxide nanostructures

    NASA Astrophysics Data System (ADS)

    Whittaker, Luisa

    The influence of finite size in altering the phase stabilities of strongly correlated materials gives rise to the interesting prospect of achieving additional tunability of solid-solid phase transitions such as those involved in metal-insulator switching, ferroelectricity, and superconductivity. The peculiarities in the electronic structure of the seemingly simple binary vanadium oxide VO 2, as manifested in a pronounced metal-insulator phase transition in proximity to room temperature, have made it the subject of extensive theoretical and experimental investigations over the last several decades. VO2 exhibits a first-order metal-insulator phase transition near room temperature at 68 °C in the bulk. Associated with the phase transition are dramatic changes in the electrical conductivity, optical properties of VO2 at all wavelengths, and a structural transition from an insulating, low-temperature monoclinic phase to a metallic, high-temperature tetragonal phase. Such properties make VO2 a suitable material for Mott field-effect transistors, optical switching devices, thermochromic coatings, and electronic devices exhibiting sharp thresholdlike variation of electrical and optical properties in response to external stimuli such as temperature and voltage. Scaling VO2 to nanoscale dimensions has recently been possible and has allowed well-defined VO2 nanostructures to serve as model systems for measurements of intrinsic properties without obscuration from grain boundary connectivities and domain dynamics. Geometric confinement, substrate interactions, and varying defect densities of VO2 nanostructures gives rise to an electronic and structural phase diagram that is substantially altered from the bulk. In my talk, I will outline two distinct hydrothermal approaches for the synthesis of 1D single-crystalline VO2 nanostructures exhibiting a substantial diminution in the metal-insulator phase transition temperature based on (a) the hydrothermal hydration, exfoliation, and

  6. 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.

  7. Structural, optical, thermal and mechanical characterization of an organic nonlinear optical material: 4-methyl-3-nitrobenzoic acid single crystal

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

    Organic single crystals of 4-methyl-3-nitrobenzoic acid (4M3N) have been grown by slow evaporation solution growth technique at room temperature. The single crystal X-ray diffraction study reveals that 4M3N crystallizes in monoclinic system with space group P21/n. The crystalline perfection of the crystal was analyzed by high resolution X-ray diffraction (HRXRD) measurements. The functional groups present in 4M3N have been identified from FT-IR and FT-Raman spectra. The lower cut-off wavelength of 4M3N is found to be 404 nm and the optical band gap is calculated as 2.91 eV. The refractive index shows normal behavior with wavelength. The physio chemical changes, decomposition and stability of the 4M3N compound were established by TG-DTA studies. Vickers microhardness measurement concludes that 4M3N belongs to soft material (n=2.5) category. The LDT value is found to be higher than that of KDP and some of the important organic NLO materials. The third order nonlinear refractive index and nonlinear absorption coefficient of the 4M3N have been measured by Z-scan studies. The imaginary and real parts of the third-order susceptibility values were determined as Im χ3=9.129×10-11 esu and Re χ3=1.4034×10-9 esu respectively. The dislocation density was calculated to be 3.0448×106 cm-2 which indicates the quality of the crystal.

  8. Allographic Agraphia for Single letters

    PubMed Central

    Menichelli, Alina; Machetta, Francesca; Zadini, Antonella; Semenza, Carlo

    2012-01-01

    The case is reported of a patient (PS) who, following acute encephalitis with residual occipito-temporal damage, showed a selective deficit in writing cursive letters in isolation, but no difficulty to write cursive-case words and non-words. Notably, he was able to recognize the same allographs he could not write and to produce both single letters and words in print. In addition to this selective single letter writing difficulty, the patient demonstrated an inability to correctly perform a series of imagery tasks for cursive letters. PS’s performance may indicate that single letter production requires explicit imagery. Explicit imagery may not be required, instead, when letters have to be produced in the context of a word: letter production in this case may rely on implicit retrieval of well learned scripts in a procedural way. PMID:22713390

  9. 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.

  10. Single-photon decision maker.

    PubMed

    Naruse, Makoto; Berthel, Martin; Drezet, Aurélien; Huant, Serge; Aono, Masashi; Hori, Hirokazu; Kim, Song-Ju

    2015-08-17

    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.

  11. Introduction: why analyze single cells?

    PubMed

    Di Carlo, Dino; Tse, Henry Tat Kwong; Gossett, Daniel R

    2012-01-01

    Powerful methods in molecular biology are abundant; however, in many fields including hematology, stem cell biology, tissue engineering, and cancer biology, data from tools and assays that analyze the average signals from many cells may not yield the desired result because the cells of interest may be in the minority-their behavior masked by the majority-or because the dynamics of the populations of interest are offset in time. Accurate characterization of samples with high cellular heterogeneity may only be achieved by analyzing single cells. In this chapter, we discuss the rationale for performing analyses on individual cells in more depth, cover the fields of study in which single-cell behavior is yielding new insights into biological and clinical questions, and speculate on how single-cell analysis will be critical in the future.

  12. Single Cell Isolation and Analysis

    PubMed Central

    Hu, Ping; Zhang, Wenhua; Xin, Hongbo; Deng, Glenn

    2016-01-01

    Individual cell heterogeneity within a population can be critical to its peculiar function and fate. Subpopulations studies with mixed mutants and wild types may not be as informative regarding which cell responds to which drugs or clinical treatments. Cell to cell differences in RNA transcripts and protein expression can be key to answering questions in cancer, neurobiology, stem cell biology, immunology, and developmental biology. Conventional cell-based assays mainly analyze the average responses from a population of cells, without regarding individual cell phenotypes. To better understand the variations from cell to cell, scientists need to use single cell analyses to provide more detailed information for therapeutic decision making in precision medicine. In this review, we focus on the recent developments in single cell isolation and analysis, which include technologies, analyses and main applications. Here, we summarize the historical background, limitations, applications, and potential of single cell isolation technologies. PMID:27826548

  13. Ramsey Interference with Single Photons

    NASA Astrophysics Data System (ADS)

    Clemmen, Stéphane; Farsi, Alessandro; Ramelow, Sven; Gaeta, Alexander L.

    2016-11-01

    Interferometry using discrete energy levels of nuclear, atomic, or molecular systems is the foundation for a wide range of physical phenomena and enables powerful techniques such as nuclear magnetic resonance, electron spin resonance, Ramsey-based spectroscopy, and laser or maser technology. It also plays a unique role in quantum information processing as qubits may be implemented as energy superposition states of simple quantum systems. Here, we demonstrate quantum interference involving energy states of single quanta of light. In full analogy to the energy levels of atoms or nuclear spins, we implement a Ramsey interferometer with single photons. We experimentally generate energy superposition states of a single photon and manipulate them with unitary transformations to realize arbitrary projective measurements. Our approach opens the path for frequency-encoded photonic qubits in quantum information processing and quantum communication.

  14. A single supply biopotential amplifier.

    PubMed

    Spinelli, E M; Martinez, N H; Mayosky, M A

    2001-04-01

    A biopotential amplifier for single supply operation is presented. It uses a Driven Right Leg Circuit (DRL) to drive the patient's body to a DC common mode voltage, centering biopotential signals with respect to the amplifier's input voltage range. This scheme ensures proper range operation when a single power supply is used. The circuit described is especially suited for low consumption, battery-powered applications, requiring a single battery and avoiding switching voltage inverters to achieve dual supplies. The generic circuit is described and, as an example, a biopotential amplifier with a gain of 60 dB and a DC input range of +/-200 mV was implemented using low power operational amplifiers. A Common Mode Rejection Ratio (CMRR) of 126 dB at 50 Hz was achieved without trimming.

  15. 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

  16. 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.

  17. Direct observation of single flexible polymers using single stranded DNA†

    PubMed Central

    Brockman, Christopher; Kim, Sun Ju

    2012-01-01

    Over the last 15 years, double stranded DNA (dsDNA) has been used as a model polymeric system for nearly all single polymer dynamics studies. However, dsDNA is a semiflexible polymer with markedly different molecular properties compared to flexible chains, including synthetic organic polymers. In this work, we report a new system for single polymer studies of flexible chains based on single stranded DNA (ssDNA). We developed a method to synthesize ssDNA for fluorescence microscopy based on rolling circle replication, which generates long strands (>65 kb) of ssDNA containing “designer” sequences, thereby preventing intramolecular base pair interactions. Polymers are synthesized to contain amine-modified bases randomly distributed along the backbone, which enables uniform labelling of polymer chains with a fluorescent dye to facilitate fluorescence microscopy and imaging. Using this approach, we synthesized ssDNA chains with long contour lengths (>30 μm) and relatively low dye loading ratios (~1 dye per 100 bases). In addition, we used epifluorescence microscopy to image single ssDNA polymer molecules stretching in flow in a microfluidic device. Overall, we anticipate that ssDNA will serve as a useful model system to probe the dynamics of polymeric materials at the molecular level. PMID:22956981

  18. 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.

  19. Single crystalline mesoporous silicon nanowires.

    PubMed

    Hochbaum, Allon I; Gargas, Daniel; Hwang, Yun Jeong; Yang, Peidong

    2009-10-01

    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.

  20. 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.

  1. 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.

  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. Turbine endwall single cylinder program

    NASA Technical Reports Server (NTRS)

    Langston, L. S.; Eckerle, W. A.

    1983-01-01

    Measurements of the flow field in front of a large-scale single cylinder, mounted in a wind tunnel are discussed. Static pressures on the endwall and cylinder surfaces, extensive five-hole probe pressures in front of and around the cylinder, and velocity fluctuations using a hot-wire probe where the flow is steady enough to yield meaningful results are included.

  4. 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…

  5. 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.

  6. 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.

  7. 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.

  8. Single file diffusion in microtubules

    NASA Astrophysics Data System (ADS)

    Rutenberg, Andrew; Farrell, Spencer; Brown, Aidan

    2015-03-01

    We investigate the single file diffusion (SFD) of large particles entering a confined tubular geometry, such as luminal diffusion of proteins inside microtubules or flagella. While single-file effects have no effect on particle density, we report significant single-file effects for individually-tracked tracer particle motion. Both exact and approximate ordering statistics of particles entering semi-infinite tubes agree well with our stochastic simulations. Considering initially empty semi-infinite tubes, with particles entering at one end starting from an initial time t = 0 , tracked particles display super-diffusive effective exponents just after they enter the system and trends towards diffusive exponents at later times. Equivalently, if diffusive exponents are assumed the effective diffusivity is reduced at early times and enhanced at later times through a logarithmic factor logN , where N is the number of particles in the tube. When we number each particle from the first (n = 1) to the most recent (n = N), we find good scaling collapse of the effective diffusivity for all n. Techniques that track individual particles, or local groups of particles, such as photo-activation or photobleaching, will exhibit single-file effects.

  9. Single Mothers: Issues of Stigma.

    ERIC Educational Resources Information Center

    Worell, Judith

    This paper examines psychological and social issues for single mothers in the context of therapeutic strategies for effective intervention. Never married, previously married, and Lesbian mothers are considered in terms of sociocultural myths and sources of stigma; research findings related to these myths; and interventions targeting the…

  10. 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.

  11. 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.

  12. 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.

  13. 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…

  14. Sample Targeting During Single-Particle Single-Cell Irradiation

    NASA Astrophysics Data System (ADS)

    Bigelow, A. W.; Randers-Pehrson, G.; Michel, K. A.; Brenner, D. J.; Dymnikov, A. D.

    2003-08-01

    An apertured microbeam is used for single-particle single-cell irradiation to study radiobiological effects at the Radiological Research Accelerator Facility (RARAF), Center for Radiological Research, Columbia University. The present sample targeting system involves imaging techniques and a stepping motor stage to sequentially position a cell nucleus above a vertical ion beam. An interest expressed by the biology research community in targeting subnuclear components has spurred the development of microbeam II, a next-generation facility to include a focused ion beam and a more precise sample manipulator, a voice coil stage. Sample positioning precision will rely on a feedback circuit incorporating linear variable differential transformer (LVDT) position measurements. In addition, post-lens electrostatic deflection is a contender for a point-and-shoot system that could speed up the cell irradiation process for cells within an image frame. Crucial to this development is that ion beam blow up must be minimal during deflection.

  15. Single crystalline superstructured stable single domain magnetite nanoparticles

    PubMed Central

    Reichel, Victoria; Kovács, András; Kumari, Monika; Bereczk-Tompa, Éva; Schneck, Emanuel; Diehle, Patrick; Pósfai, Mihály; Hirt, Ann M.; Duchamp, Martial; Dunin-Borkowski, Rafal E.; Faivre, Damien

    2017-01-01

    Magnetite nanoparticles exhibit magnetic properties that are size and organization dependent and, for applications that rely on their magnetic state, they usually have to be monodisperse. Forming such particles, however, has remained a challenge. Here, we synthesize 40 nm particles of magnetite in the presence of polyarginine and show that they are composed of 10 nm building blocks, yet diffract like single crystals. We use both bulk magnetic measurements and magnetic induction maps recorded from individual particles using off-axis electron holography to show that each 40 nm particle typically contains a single magnetic domain. The magnetic state is therefore determined primarily by the size of the superstructure and not by the sizes of the constituent sub-units. Our results fundamentally demonstrate the structure – property relationship in a magnetic mesoparticle. PMID:28358051

  16. A single-molecule approach to ZnO defect studies: Single photons and single defects

    NASA Astrophysics Data System (ADS)

    Jungwirth, N. R.; Pai, Y. Y.; Chang, H. S.; MacQuarrie, E. R.; Nguyen, K. X.; Fuchs, G. D.

    2014-07-01

    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.

  17. 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.

  18. Single event phenomena: A summary

    NASA Astrophysics Data System (ADS)

    Price, W. E.; Coss, J. R.

    1989-04-01

    Single event phenomena (SEP) are effects resulting from a single particle inducing a significant response in an integrated circuit. SEP are of greatest concern to spacecraft designers but are becoming of concern to avionics and large earth-bound electronic systems due to the continual reduction in size (which increases SEP sensitivity) of circuit elements. The phenomena include soft error and multiple errors in memory cells or logic latches, latchup, MOSFET power device burnout, MNOS punch-through and transients. Cyclotron and Van de Graaff accelerators are used to produce heavy ions, protons and neutrons which induce SEP effects. Methods of testing are described. Solutions to SEP are varied, but include parts substitutions or redesign and software solutions which will be described.

  19. Progress toward single cell metabolomics

    PubMed Central

    Rubakhin, Stanislav S.; Lanni, Eric J.; Sweedler, Jonathan V.

    2012-01-01

    The metabolome refers to the entire set of small molecules, or metabolites, within a biological sample. These molecules are involved in many fundamental intracellular functions and reflect the cell’s physiological condition. The ability to detect and identify metabolites and determine and monitor their amounts at the single cell level enables an exciting range of studies of biological variation and functional heterogeneity between cells, even within a presumably homogenous cell population. Significant progress has been made in the development and application of bioanalytical tools for single cell metabolomics based on mass spectrometry, microfluidics, and capillary separations. Remarkable improvements in the sensitivity, specificity, and throughput of these approaches enable investigation of multiple metabolites simultaneously in a range of individual cell samples. PMID:23246232

  20. Magnetic anisotropy in single clusters

    NASA Astrophysics Data System (ADS)

    Jamet, Matthieu; Wernsdorfer, Wolfgang; Thirion, Christophe; Dupuis, Véronique; Mélinon, Patrice; Pérez, Alain; Mailly, Dominique

    2004-01-01

    The magnetic measurements on single cobalt and iron nanoclusters containing almost 1000 atoms are presented. Particles are directly buried within the superconducting film of a micro-SQUID (superconducting quantum interference device) which leads to the required sensitivity. The angular dependence of the switching field in three dimensions turns out to be in good agreement with a uniform rotation of cluster magnetization. The Stoner and Wohlfarth model yields therefore an estimation of magnetic anisotropy in a single cluster. In particular, uniaxial, biaxial, and cubic contributions can be separated. Results are interpreted on the basis of a simple atomic model in which clusters are assimilated to “giant spins.” We present an extension of the Néel model to clusters in order to estimate surface anisotropy. In the case of cobalt, this last contribution dominates and numerical simulations allow us to get the morphology of the investigated clusters.

  1. 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.

  2. 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

  3. Single wire drift chamber design

    SciTech Connect

    Krider, J.

    1987-03-30

    This report summarizes the design and prototype tests of single wire drift chambers to be used in Fermilab test beam lines. The goal is to build simple, reliable detectors which require a minimum of electronics. Spatial resolution should match the 300 ..mu..m rms resolution of the 1 mm proportional chambers that they will replace. The detectors will be used in beams with particle rates up to 20 KHz. Single track efficiency should be at least 99%. The first application will be in the MT beamline, which has been designed for calibration of CDF detectors. A set of four x-y modules will be used to track and measure the momentum of beam particles.

  4. Detecting itinerant single microwave photons

    NASA Astrophysics Data System (ADS)

    Sathyamoorthy, Sankar Raman; Stace, Thomas M.; Johansson, Göran

    2016-08-01

    Single-photon detectors are fundamental tools of investigation in quantum optics and play a central role in measurement theory and quantum informatics. Photodetectors based on different technologies exist at optical frequencies and much effort is currently being spent on pushing their efficiencies to meet the demands coming from the quantum computing and quantum communication proposals. In the microwave regime, however, a single-photon detector has remained elusive, although several theoretical proposals have been put forth. In this article, we review these recent proposals, especially focusing on non-destructive detectors of propagating microwave photons. These detection schemes using superconducting artificial atoms can reach detection efficiencies of 90% with the existing technologies and are ripe for experimental investigations.

  5. Single-pixel hyperspectral imaging

    NASA Astrophysics Data System (ADS)

    Suo, Jinli; Wang, Yuwang; Bian, Liheng; Dai, Qionghai

    2016-10-01

    Conventional multispectral imaging methods detect photons of a 3D hyperspectral data cube separately either in the spatial or spectral dimension using array detectors, and are thus photon inefficient and spectrum range limited. Besides, they are usually bulky and highly expensive. To address these issues, this paper presents single-pixel multispectral imaging techniques, which are of high sensitivity, wide spectrum range, low cost and light weight. Two mechanisms are proposed, and experimental validation are also reported.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. SINGLE DRUG THERAPY IN NETRAROGA

    PubMed Central

    Gayathri, M.B.; Kareem, M. Abdul; Sarneswar; Unnikrishnan, P.M.

    1996-01-01

    The non-availability of reliable and standardized drugs, their high cost, and ambiguity in the identity of the ingredients used are a few of the major problems encountered today in the utilization of compound drugs in Ayurveda. There is thus an urgent need to reemphasize the use of single plant drug formulations recorded in the classical texts. The present study is an attempt to list out all the single plant drugs mentioned in the treatment of various Netrarogas from the classical texts of Ayurveda and to fix their proper botanical identity. The study of 7 classical texts has revealed that there are 41 single plant drugs in 80 preparations for treating 9 lakshanas and 29 rogas. They have been correlated with their botanical identities based on nomenclature correlation studies published over the last century. The drugs are arranged alphabetically with their botanical names, habit, indications, parts used, method of preparation, mode of administration and the reference, A primary analysis has also been made on the nomenclature, qualities and applications of the drugs. PMID:22556780

  13. Spatiotemporally controlled single cell sonoporation

    PubMed Central

    Fan, Zhenzhen; Liu, Haiyan; Mayer, Michael; Deng, Cheri X.

    2012-01-01

    This paper presents unique approaches to enable control and quantification of ultrasound-mediated cell membrane disruption, or sonoporation, at the single-cell level. Ultrasound excitation of microbubbles that were targeted to the plasma membrane of HEK-293 cells generated spatially and temporally controlled membrane disruption with high repeatability. Using whole-cell patch clamp recording combined with fluorescence microscopy, we obtained time-resolved measurements of single-cell sonoporation and quantified the size and resealing rate of pores. We measured the intracellular diffusion coefficient of cytoplasmic RNA/DNA from sonoporation-induced transport of an intercalating fluorescent dye into and within single cells. We achieved spatiotemporally controlled delivery with subcellular precision and calcium signaling in targeted cells by selective excitation of microbubbles. Finally, we utilized sonoporation to deliver calcein, a membrane-impermeant substrate of multidrug resistance protein-1 (MRP1), into HEK-MRP1 cells, which overexpress MRP1, and monitored the calcein efflux by MRP1. This approach made it possible to measure the efflux rate in individual cells and to compare it directly to the efflux rate in parental control cells that do not express MRP1. PMID:23012425

  14. Single ionization of molecular iodine

    NASA Astrophysics Data System (ADS)

    Smith, Dale L.; Tagliamonti, Vincent; Dragan, James; Gibson, George N.

    2017-01-01

    We performed a study of the single ionization of iodine, I2 over a range of wavelengths. Single ionization of I2 is unexpectedly found to have a contribution from inner molecular orbitals involving the 5 s electrons. The I+I+ dissociation channel was recorded through velocity map imaging, and the kinetic-energy release of each channel was determined with two-dimensional fitting of the images. Most of the measured kinetic-energy data were inconsistent with ionization to the X , A , and B states of I2 + , implying ionization from deeper orbitals. A pump-probe Fourier transform technique was used to look for modulation at the X - and A -state vibrational frequencies to see if they were intermediate states in a two-step process. X - and A -state modulation was seen only for kinetic-energy releases below 0.2 eV, consistent with dissociation through the B state. From these results and intensity-, polarization-, and wavelength-dependent experiments we found no evidence of bond softening, electron rescattering, or photon mediation through the X or A states to higher-energy single-ionization channels.

  15. Single electron relativistic clock interferometer

    NASA Astrophysics Data System (ADS)

    Bushev, P. A.; Cole, J. H.; Sholokhov, D.; Kukharchyk, N.; Zych, M.

    2016-09-01

    Although time is one of the fundamental notions in physics, it does not have a unique description. In quantum theory time is a parameter ordering the succession of the probability amplitudes of a quantum system, while according to relativity theory each system experiences in general a different proper time, depending on the system's world line, due to time dilation. It is therefore of fundamental interest to test the notion of time in the regime where both quantum and relativistic effects play a role, for example, when different amplitudes of a single quantum clock experience different magnitudes of time dilation. Here we propose a realization of such an experiment with a single electron in a Penning trap. The clock can be implemented in the electronic spin precession and its time dilation then depends on the radial (cyclotron) state of the electron. We show that coherent manipulation and detection of the electron can be achieved already with present day technology. A single electron in a Penning trap is a technologically ready platform where the notion of time can be probed in a hitherto untested regime, where it requires a relativistic as well as quantum description.

  16. 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)

  17. 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.

  18. 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.

  19. 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.

  20. The Interplay of Fe and Ce Magnetism in Ca0.71 Ce0.29(Fe1-xCox)As2 single crystals

    NASA Astrophysics Data System (ADS)

    Jiang, Shan; Liu, Lian; Cao, Huibo; Tian, Wei; Emmanuelidu, Eve; Shi, Aoshuang; Uemura, Yasutomo; Ni, Ni

    In this talk, we will present the synthesis and characterization of the Ca0.71 Ce0.29(Fe1-xCox)As2 single crystals. Elastic neutron scattering complemented by resistivity, susceptibility and heat capacity measurements has revealed a paramagnetic-to-antiferromagnetic phase transition of the Fe sublattice at 69K and a monoclinic-to-triclinic structural phase transition at 73 K in Ca0.71 Ce0.29FeAs2. In addition, Fe spin reorientation and Ce ordering at lower temperatures, reminiscent of the one in REFeAsO (RE=Ce, Pr, Nd) materials, exist. The Co substitution on the Fe sites completely suppresses the ordering of Fe sublattice at x=0.032. However, it only slightly affects the Ce ordering, which prevents the formation of superconductivity in Ca0.71 Ce0.29(Fe1-xCox)As2. Work at UCLA was supported by the NSF DMREF DMR-1435672. Work at Columbia and TRIUMF was supported by the NSF DMREF DMR- 1436095, PIRE project IIA 0968226 and DMR-1105961. Work at ORNL's High Flux Isotope Reactor was sponsored by DOE.

  1. Two successive single crystal phase transitions involving the coordination sphere of antimony in PhSb(dmit), the first organo-antimony(III) dithiolene complex.

    PubMed

    Avarvari, N; Faulques, E; Fourmigué, M

    2001-05-21

    PhSb(dmit) (dmit(2)(-), 4,5-dithiolato-1,3-dithiole-2-thione), the first neutral organo-antimony dithiolene complex, has been synthesized by addition of PhSbCl(2) on a suspension of Na(2)(dmit). The complex was characterized by spectroscopic ((1)H and (13)C NMR and IR) methods and elemental analysis. Its crystal structure was determined by X-ray diffraction at room temperature in the monoclinic P2(1)/c space group, with a = 12.580(3), b = 8.9756(18), c = 15.905(3) A, beta = 109.06(3) degrees, V = 1697.5(6) A(3), Z = 4. A coordinating THF molecule was found in the structure and the coordination geometry around the antimony atom is of distorted pseudopentagonal bipyramid type, if taking into account the Sb.O and secondary Sb.S interactions, as well as the stereochemically active 5s(2) lone pair. The intermolecular Sb.S and S.S contacts, shorter than the sum of van der Waals radii of corresponding atoms, lead to the formation of a three-dimensional polymeric network in the solid state. A second X-ray diffraction experiment, performed at 85 K, revealed a very similar monoclinic unit cell with the noncentrosymmetrical space group P2(1) with a = 12.613(3), b = 8.9876(18), c = 15.109(3) A, beta = 107.01(3) degrees, V = 1637.8(6), Z = 4. The structural differences with the first one are basically due to the rotation of the THF ligand in the coordination sphere of the antimony center, leading to the loss of every inversion center found at room temperature. A temperature variable X-ray diffraction study on a PhSb(dmit) single-crystal allowed the detection, with a remarkable accuracy, of two successive first-order phase transitions, the first occurring at T = 162.5 K, while the second was observed at T = 182.5 K. Subsequently, a third set of X-ray data was collected at 180 K and the resulting structure (monoclinic, P2(1)/c, a = 16.736(3), b = 8.9653(18), c = 33.132(7) A, beta = 91.98(3) degrees, V = 4968.2(17), Z = 12) derives from the two others by a common b axis, a 3-fold

  2. Identification of single-input-single-output quantum linear systems

    NASA Astrophysics Data System (ADS)

    Levitt, Matthew; GuÅ£ǎ, Mǎdǎlin

    2017-03-01

    The purpose of this paper is to investigate system identification for single-input-single-output general (active or passive) quantum linear systems. For a given input we address the following questions: (1) Which parameters can be identified by measuring the output? (2) How can we construct a system realization from sufficient input-output data? We show that for time-dependent inputs, the systems which cannot be distinguished are related by symplectic transformations acting on the space of system modes. This complements a previous result of Guţă and Yamamoto [IEEE Trans. Autom. Control 61, 921 (2016), 10.1109/TAC.2015.2448491] for passive linear systems. In the regime of stationary quantum noise input, the output is completely determined by the power spectrum. We define the notion of global minimality for a given power spectrum, and characterize globally minimal systems as those with a fully mixed stationary state. We show that in the case of systems with a cascade realization, the power spectrum completely fixes the transfer function, so the system can be identified up to a symplectic transformation. We give a method for constructing a globally minimal subsystem direct from the power spectrum. Restricting to passive systems the analysis simplifies so that identifiability may be completely understood from the eigenvalues of a particular system matrix.

  3. Single-edition quadrangle maps

    USGS Publications Warehouse

    ,

    1998-01-01

    In August 1993, the U.S. Geological Survey's (USGS) National Mapping Division and the U.S. Department of Agriculture's Forest Service signed an Interagency Agreement to begin a single-edition joint mapping program. This agreement established the coordination for producing and maintaining single-edition primary series topographic maps for quadrangles containing National Forest System lands. The joint mapping program saves money by eliminating duplication of effort by the agencies and results in a more frequent revision cycle for quadrangles containing national forests. Maps are revised on the basis of jointly developed standards and contain normal features mapped by the USGS, as well as additional features required for efficient management of National Forest System lands. Single-edition maps look slightly different but meet the content, accuracy, and quality criteria of other USGS products. The Forest Service is responsible for the land management of more than 191 million acres of land throughout the continental United States, Alaska, and Puerto Rico, including 155 national forests and 20 national grasslands. These areas make up the National Forest System lands and comprise more than 10,600 of the 56,000 primary series 7.5-minute quadrangle maps (15-minute in Alaska) covering the United States. The Forest Service has assumed responsibility for maintaining these maps, and the USGS remains responsible for printing and distributing them. Before the agreement, both agencies published similar maps of the same areas. The maps were used for different purposes, but had comparable types of features that were revised at different times. Now, the two products have been combined into one so that the revision cycle is stabilized and only one agency revises the maps, thus increasing the number of current maps available for National Forest System lands. This agreement has improved service to the public by requiring that the agencies share the same maps and that the maps meet a

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. 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.

  12. 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.

  13. Single molecular force across single integrins dictates cell spreading

    PubMed Central

    Chowdhury, Farhan; Doğanay, Sultan; Singh, Rishi; Wang, Xuefeng; Seong, Jihye; Lee, Sang-Hak; Park, Seongjin; Wang, Ning; Ha, Taekjip

    2015-01-01

    Cells’ ability to sense and interpret mechanical signals from the extracellular milieu modulates the degree of cell spreading. Yet how cells detect such signals and activate downstream signaling at the molecular level remain elusive. Herein, we utilize tension gauge tether (TGT) platform to investigate underlying molecular mechanism of cell spreading. Our data from both differentiated cells of cancerous and non-cancerous origin show that for the same stiff underlying glass substrates and for same ligand density it is the molecular forces across single integrins that ultimately determine cell spreading responses. Furthermore, by decoupling molecular stiffness and molecular tension we demonstrate that molecular stiffness has little influence on cell spreading. Our data provide strong evidence that links molecular forces at the cell-substrate interface to the degree of cell spreading. PMID:26143887

  14. 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.

  15. Single daily dosing of aminoglycosides.

    PubMed

    Preston, S L; Briceland, L L

    1995-01-01

    To evaluate the rationale behind dosing aminoglycosides as a single daily dose versus traditional dosing approaches, we conducted a MEDLINE search to identify all pertinent articles, and also reviewed the references of all articles. Single daily dosing of aminoglycosides is not a new concept, having been examined since 1974. The advantages of this regimen include optimum concentration-dependent bactericidal activity, longer dosing intervals due to the postantibiotic effect (PAE), and prevention of bacterial adaptive resistance. Because of longer dosing intervals, toxicity may also be delayed or reduced. Costs may be reduced due to decreased monitoring and administration. Clinically, the regimen has been implemented in various patient populations with reported success. Questions remain, however, about optimum dose, peak and trough serum concentrations, and dose adjustment in patients with renal impairment or neutropenia. More clinical experience with this method in large numbers of patients has to be published. Pharmacists can be instrumental in monitoring patients receiving once-daily therapy and by educating health care professionals as to the rationale behind the therapy.

  16. 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.

  17. 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

  18. Magnetotransport of single crystalline YSb

    SciTech Connect

    Ghimire, N. J.; Botana, A. S.; Phelan, D.; Zheng, H.; Mitchell, J. F.

    2016-05-10

    Here, 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 $6.5\\times {{10}^{20}}$ cm–3 and $6.2\\times {{10}^{4}}$ 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. Magnetotransport of single crystalline YSb

    DOE PAGES

    Ghimire, N. J.; Botana, A. S.; Phelan, D.; ...

    2016-05-10

    Here, 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, aremore » $$6.5\\times {{10}^{20}}$$ cm–3 and $$6.2\\times {{10}^{4}}$$ 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.« less

  20. 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.

  1. 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. PMID:27642645

  2. 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.

  3. Chemical diffusion in the Bi, Sr, Ca, Cu/O system: The kinetics and mechanism of the solid-state synthesis of a single-phase {open_quotes}2212{close_quotes} material

    SciTech Connect

    Flor, G.; Ghigna, P.; Anselmi-Tamburini, U.

    1995-05-01

    Monodimensional (chemical) diffusion measurements have been used to find a clean solid-state path to a pure Bi-Sr-Ca-Cu-O superconductor with two-layer structure, i.e., suitable sequence of solid-state reactions such that each step gives a single-phase product. When starting from carbonate precursors of CaO and SrO plus Bi{sub 2}O{sub 3} and CuO, the critical point of a reaction path of this kind is an appropriate choice of the external conditions of temperature, oxygen partial pressure, and cation molecularities, which must be different from the ideal {open_quotes}2212{close_quotes} values. The results show that a clean solid-state synthesis of a single-phase two-layer material is achieved by reacting at 750{degrees}C under P(O{sub 2}) = 10{sup -3} atm the Sr{sub 14}Cu{sub 24}O{sub 41} phase and the ternary solid solution with monoclinic symmetry and cation molecularity near 0.376:0.082:0.543 (Ca:Sr:Bi).

  4. 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.

  5. 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.

  6. 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).

  7. Thermophoresis of single stranded DNA.

    PubMed

    Reineck, Philipp; Wienken, Christoph J; Braun, Dieter

    2010-01-01

    The manipulation and analysis of biomolecules in native bulk solution is highly desired; however, few methods are available. In thermophoresis, the thermal analog to electrophoresis, molecules are moved along a microscopic temperature gradient. Its theoretical foundation is still under debate, but practical applications for analytics in biology show considerable potential. Here we measured the thermophoresis of highly diluted single stranded DNA using an all-optical capillary approach. Temperature gradients were created locally by an infrared laser. The thermal depletion of oligonucleotides of between 5 and 50 bases in length were investigated by fluorescence at various salt concentrations. To a good approximation, the previously tested capacitor model describes thermophoresis: the Soret coefficient linearly depends on the Debye length and is proportional to the DNA length to the power of 0.35, dictated by the conformation-based size scaling of the diffusion coefficient. The results form the basis for quantitative DNA analytics using thermophoresis.

  8. 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.

  9. Single crystal structures of thallium (I) thorium fluorides and crystal chemistry of monovalent tetravalent cation pentafluorides

    NASA Astrophysics Data System (ADS)

    Oudahmane, Abdelghani; El-Ghozzi, Malika; Jouffret, Laurent; Avignant, Daniel

    2015-12-01

    Two thallium (I) thorium (IV) fluorides, TlTh3F13 and TlThF5 were obtained by solid state synthesis and their crystal structures determined from single crystal X-ray diffraction data recorded at room temperature with an APEX-II CCD diffractometer. TlTh3F13 is orthorhombic, space group Pmc21, with a=8.1801(2) Å, b=7.4479(2) Å, c=8.6375(2) Å, V=526.24(2) Å3, Z=2 and TlThF5 is monoclinic, space group P21/n, with a=8.1128(5) Å, b=7.2250(4) Å, c=8.8493(6) Å, β=116.683(3)°, V=463.46(5) Å3, Z=4. The structure of TlTh3F13 comprises layers of corner and edge-sharing ThF9 polyhedra further linked by chains of trans connected tricapped trigonal prisms ThF9 through corners and edges. The three dimensional thorium frameworks delimits channels parallel to [0 0 1] where the 11-coordinated Tl+ ions are arranged into double columns located in mirror planes of the structure. TlTh3F13 is isotypic with RbTh3F13, RbU3F13 and with one of the two polymorphs of CsTh3F13. The structure of TlThF5 may be regarded as a layer structure built up from the regular succession of 2∞[ M ‧F5 ] - corrugated layers further held by the Tl+ ions along the [1 0 1 ̅] direction. The layers are built up from edge and corner-sharing thorium polyhedra where each (ThF9)5- monocapped square antiprism is connected to five others by sharing three edges and two corners. TlThF5 is isostructural with β-NH4UF5 and with one of the polymorphs of CsThF5. A comparison of the different structural types of MM‧F5 pentafluorides is presented and a diagram of repartition of their structures is given. From the comparison of the Tl structures with their Rb or Cs homologs, where very similar monovalent cation environments are observed it should be concluded to a stereochemically inactivity of the 6s2 lone pair of Tl(I) in both TlTh3F13 and TlThF5, contrary to what is observed in richer Tl(I) content Tl3ThF7 fluorothorate.

  10. 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.

  11. 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.

  12. GALLIUM ARSENIDE DENDRITE SINGLE CRYSTAL PROGRAM

    DTIC Science & Technology

    ARSENIDES, *GALLIUM COMPOUNDS, *LABORATORY FURNACES, * SOLAR CELLS , CRUCIBLES, DESIGN, DIFFUSION, EXPLOSIONS, INTERMETALLIC COMPOUNDS, MATERIALS, PHOSPHORUS, SINGLE CRYSTALS, TEMPERATURE CONTROL, ZINC

  13. 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.

  14. 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.…

  15. 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…

  16. 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…

  17. 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.

  18. Generalization of Findings From Single Case Studies.

    ERIC Educational Resources Information Center

    Kennedy, Mary M.

    Although single case studies might be useful to evaluators for a variety of purposes, there are no generally accepted ways for drawing inferences about the generality of findings from a case study. Single case studies are defined in this paper as either studies of single events, or disaggregated studies of multiple events. The data may be…

  19. Can the Single Parent Parent As Well?

    ERIC Educational Resources Information Center

    Flanzer, Jerry P.

    The question of whether single parents are able to parent as well as those in two-parent families, as well as the differences between attitudes and practices of single mothers and fathers toward child rearing, were investigated. Members (N=179) of the Southeastern Wisconsin Parents Without Partners group completed the Single Parent Questionnaire,…

  20. 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).

  1. Single electron effects in silicon quantum devices

    NASA Astrophysics Data System (ADS)

    Prati, Enrico

    2013-05-01

    The integration of atomic physics with quantum device technology contributed to the exploration of the field of single electron nanoelectronics originally developed in single electron quantum dots. Here the basic concepts of single electron nanoelectronics, including key aspects of architectures, quantum transport in silicon devices, single electron transistors, few atom devices, single charge/spin dynamics, and the role of valleys and bands are reviewed. Future applications in fundamental physics and classical and quantum information technologies are discussed, by highlighting the critical aspects which currently impose limits to the most advanced developments at the 10-nm node.

  2. Single-incision total laparoscopic hysterectomy.

    PubMed

    Sinha, Rakesh; Sundaram, Meenakshi; Mahajan, Chaitali; Raje, Shweta; Kadam, Pratima; Rao, Gayatri; Shitut, Prachi

    2011-01-01

    Single-incision laparoscopic surgery is an alternative to conventional multiport laparoscopy. Single-access laparoscopy using a transumbilical port affords maximum cosmetic benefits because the surgical incision is hidden in the umbilicus. The advantages of single-access laparoscopic surgery may include less bleeding, infection, and hernia formation and better cosmetic outcome and less pain. The disadvantages and limitations include longer surgery time, difficulty in learning the technique, and the need for specialized instruments. Ongoing refinement of the surgical technique and instrumentation is likely to expand its role in gynecologic surgery in the future. We perform single-incision total laparoscopic hysterectomy using three ports in the single transumbilical incision.

  3. Single-incision total laparoscopic hysterectomy

    PubMed Central

    Sinha, Rakesh; Sundaram, Meenakshi; Mahajan, Chaitali; Raje, Shweta; Kadam, Pratima; Rao, Gayatri; Shitut, Prachi

    2011-01-01

    Single-incision laparoscopic surgery is an alternative to conventional multiport laparoscopy. Single-access laparoscopy using a transumbilical port affords maximum cosmetic benefits because the surgical incision is hidden in the umbilicus. The advantages of single-access laparoscopic surgery may include less bleeding, infection, and hernia formation and better cosmetic outcome and less pain. The disadvantages and limitations include longer surgery time, difficulty in learning the technique, and the need for specialized instruments. Ongoing refinement of the surgical technique and instrumentation is likely to expand its role in gynecologic surgery in the future. We perform single-incision total laparoscopic hysterectomy using three ports in the single transumbilical incision. PMID:21197248

  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. Optomechanics of Single Aluminum Nanodisks.

    PubMed

    Su, Man-Nung; Dongare, Pratiksha D; Chakraborty, Debadi; Zhang, Yue; Yi, Chongyue; Wen, Fangfang; Chang, Wei-Shun; Nordlander, Peter; Sader, John E; Halas, Naomi J; Link, Stephan

    2017-04-12

    Aluminum nanostructures support tunable surface plasmon resonances and have become an alternative to gold nanoparticles. Whereas gold is the most-studied plasmonic material, aluminum has the advantage of high earth abundance and hence low cost. In addition to understanding the size and shape tunability of the plasmon resonance, the fundamental relaxation processes in aluminum nanostructures after photoexcitation must be understood to take full advantage of applications such as photocatalysis and photodetection. In this work, we investigate the relaxation following ultrafast pulsed excitation and the launching of acoustic vibrations in individual aluminum nanodisks, using single-particle transient extinction spectroscopy. We find that the transient extinction signal can be assigned to a thermal relaxation of the photoexcited electrons and phonons. The ultrafast heating-induced launching of in-plane acoustic vibrations reveals moderate binding to the glass substrate and is affected by the native aluminum oxide layer. Finally, we compare the behavior of aluminum nanodisks to that of similarly prepared and sized gold nanodisks.

  6. Plasma Formation Around Single Wires

    NASA Astrophysics Data System (ADS)

    Duselis, Peter U.; Kusse, Bruce R.

    2002-12-01

    At Cornell's Laboratory of Plasma Studies, single wires of various metals were exploded using a ˜250 ns pulser with a rise time of ˜20 A/ns. It was found that the wires first experience a resistive heating phase that lasts 50-80 ns before a rapid collapse of voltage. From that point on, the voltage across the wire was negligible while the current through the wire continued to increase. We attribute this voltage collapse to the formation of plasma about the wire. Further confirmation of this explanation will be presented along with new experimental data describing preliminary spectroscopy results, the expansion rate of the plasma, and current flow along the wire as a function of radius. The resistance of the wire-electrode connection will be shown to significantly affect the energy deposition. Various diagnostics were used to obtain these experiments. Ultraviolet sensitive vacuum photodiodes and a framing camera with an 8 ns shutter were used to detect and measure the width of the visible light emitted by the plasma. A special wire holder was constructed that allowed the transfer of current from the wire to the surrounding plasma to be observed.

  7. Single-Cell Semiconductor Sequencing

    PubMed Central

    Kohn, Andrea B.; Moroz, Tatiana P.; Barnes, Jeffrey P.; Netherton, Mandy; Moroz, Leonid L.

    2014-01-01

    RNA-seq or transcriptome analysis of individual cells and small-cell populations is essential for virtually any biomedical field. It is especially critical for developmental, aging, and cancer biology as well as neuroscience where the enormous heterogeneity of cells present a significant methodological and conceptual challenge. Here we present two methods that allow for fast and cost-efficient transcriptome sequencing from ultra-small amounts of tissue or even from individual cells using semiconductor sequencing technology (Ion Torrent, Life Technologies). The first method is a reduced representation sequencing which maximizes capture of RNAs and preserves transcripts’ directionality. The second, a template-switch protocol, is designed for small mammalian neurons. Both protocols, from cell/tissue isolation to final sequence data, take up to 4 days. The efficiency of these protocols has been validated with single hippocampal neurons and various invertebrate tissues including individually identified neurons within a simpler memory-forming circuit of Aplysia californica and early (1-, 2-, 4-, 8-cells) embryonic and developmental stages from basal metazoans. PMID:23929110

  8. Single scatter electron Monte Carlo

    SciTech Connect

    Svatos, M.M.

    1997-03-01

    A single scatter electron Monte Carlo code (SSMC), CREEP, has been written which bridges the gap between existing transport methods and modeling real physical processes. CREEP simulates ionization, elastic and bremsstrahlung events individually. Excitation events are treated with an excitation-only stopping power. The detailed nature of these simulations allows for calculation of backscatter and transmission coefficients, backscattered energy spectra, stopping powers, energy deposits, depth dose, and a variety of other associated quantities. Although computationally intense, the code relies on relatively few mathematical assumptions, unlike other charged particle Monte Carlo methods such as the commonly-used condensed history method. CREEP relies on sampling the Lawrence Livermore Evaluated Electron Data Library (EEDL) which has data for all elements with an atomic number between 1 and 100, over an energy range from approximately several eV (or the binding energy of the material) to 100 GeV. Compounds and mixtures may also be used by combining the appropriate element data via Bragg additivity.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. Crystal ball single event display

    SciTech Connect

    Grosnick, D.; Gibson, A.; Allgower, C.; Alyea, J. |

    1997-10-15

    The Single Event Display (SED) is a routine that is designed to provide information graphically about a triggered event within the Crystal Ball. The SED is written entirely in FORTRAN and uses the CERN-based HICZ graphing package. The primary display shows the amount of energy deposited in each of the NaI crystals on a Mercator-like projection of the crystals. Ten different shades and colors correspond to varying amounts of energy deposited within a crystal. Information about energy clusters is displayed on the crystal map by outlining in red the thirteen (or twelve) crystals contained within a cluster and assigning each cluster a number. Additional information about energy clusters is provided in a series of boxes containing useful data about the energy distribution among the crystals within the cluster. Other information shown on the event display include the event trigger type and data about {pi}{sup o}`s and {eta}`s formed from pairs of clusters as found by the analyzer. A description of the major features is given, along with some information on how to install the SED into the analyzer.

  14. Single SCA-plume dynamics

    NASA Astrophysics Data System (ADS)

    Yano, J.-I.; Baizig, Hichem

    2012-11-01

    A fully prognostic prototype of bulk mass-flux convection parameterization is presented. The bulk mass-flux parameterization is formulated by assuming a subgrid-scale system consisting only of a convective plume and environment. Both subcomponents (segments) are assumed to be homogeneous horizontally. This assumption is called the segmentally constant approximation (SCA). The present study introduces this purely geometrical constraint (SCA) into the full nonhydrostatic anelastic system. A continuous-space description of the full system is, thus, replaced by a discretization consisting only of two segments (plume and environment) in the horizontal direction. The resulting discretized system is mathematically equivalent to a 0th order finite volume formulation with the only two finite volumes. The model is presented under a two-dimensional configuration. Interfaces between the plume and the environment segments may either be fixed in time or Lagrangianly advected as two limiting cases. Under this framework, the single-plume dynamics is systematically investigated in a wide phase space of Richardson number, the aspect ratio, and a displacement rate of the plume interfaces relative to the Lagrangian displacement. Advantage of the present model is in evaluating the lateral mixing processes of the plume without invoking an entrainment-detrainment hypothesis. The fractional entrainment-detrainment rate diagnosed from the present model simulations highly varies both over space and time, suggesting a limitation of applying an entrainment-detrainment hypothesis to unsteady plumes, as in the present case, in which circulations of the plume scale dominates over the turbulent mixing process. Furthermore, when the entrainment-plume hypothesis of Morton et al. is adopted for defining the plume-interface displacement rate, the plume continuously expands with time without reaching equilibrium.

  15. {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.

  16. 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.

  17. 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

    SciTech Connect

    Wang, Ruixue; Xu, Han; Yang, Bin; Luo, Zhenlin; Sun, Enwei; Zhao, Jiangtao; Zheng, Limei; Dong, Yongqi; Zhou, Hua; Ren, Yang; Gao, Chen; Cao, Wenwu

    2016-04-11

    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 synchrotronbased 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.

  18. Chemical vapour deposition of tungsten oxide thin films from single-source precursors

    NASA Astrophysics Data System (ADS)

    Cross, Warren Bradley

    This thesis describes the chemical vapour deposition (CVD) of tungsten oxide thin films on glass from a wide range of single-source precursors. Chapter 1 describes previous work that has motivated this research. Chapter 2 discusses the synthesis of conventional style candidates for single-source precursors. Reactions of WOCl4 with 3-methyl salicylic acid (MesaliH2) and 3,5-di-iso-propyl salicylic acid (di-i-PrsaliH2) yielded the ditungsten complexes [WO(Mesali)(MesaliH)2(mu-O)], 1, and [WO(di-i-Prsali)(di-i-PrsaliH)2(mu-O)], 2, and the monotungsten complex [WO(di-i-Pr sali)(di-i-PrsaliH)Cl], 3. Tungsten(VI) dioxo complexes were prepared by ligand exchange reactions of [WO2(acac)2], 4, yielding [WO2(catH)2], 5, and [WO2(malt)2], 6, (catH2 = 3,5-di-tert-butyl-catechol; maltH = maltol). Chapter 3 describes thermal analyses of the complexes 1 - 6 and tungsten hexaphenoxide, and consequently their suitability for CVD. The use of [W(OPh)6] and 2 - 6 in aerosol assisted CVD is reported in Chapter 4. Brown tungsten oxide was deposited from 2 and 3 at 600 °C; blue partially-reduced WO3-x thin films were deposited from [W(OPh)6] from 300 to 500 °C, from 4 at 600 °C and 6 at 620 °C. Sintering all of the coatings in air at 550 °C afforded yellow films of stoichiometric WO3. Raman spectroscopy and glancing angle XRD showed that coatings deposited from [W(OPh)6] at 300 °C were amorphous, whereas all the other films were the monoclinic phase gamma-tungsten oxide. Taking full advantage of the aerosol vaporisation technique led to the CVD of tungsten oxide films from polyoxometalate single-source precursors, as described in Chapter 5. The isopolyanion [nBu4N]2[W6O19], 7, afforded WO3 at 410 °C; the heteropolyanions [nBu4N]4H3[PW11O39], 8, and [nBu4N]4[PNbW11O40], 9, were used to deposit doped WO3 thin films in a highly-controlled manner at 480 °C. Thus, the unprecedented use of large, charged clusters for CVD was demonstrated. Chapter 6 describes investigations of the

  19. 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

  20. Single-lung ventilation in pediatric anesthesia.

    PubMed

    Choudhry, Dinesh K

    2005-12-01

    Single-lung ventilation is requested for an increasing spectrum of surgical procedures in infants and children. A clear understanding of the physiology of single-lung ventilation, the techniques of lung separation, and the technical skill necessary to apply these techniques are essential for an anesthesiologist practicing thoracic anesthesia. This article focuses on various devices available for single-lung ventilation in the pediatric age group, the relevant respiratory physiology, and the strategies that optimize oxygenation during one-lung anesthesia.

  1. Highly efficient heralding of entangled single photons.

    PubMed

    Ramelow, Sven; Mech, Alexandra; Giustina, Marissa; Gröblacher, Simon; Wieczorek, Witlef; Beyer, Jörn; Lita, Adriana; Calkins, Brice; Gerrits, Thomas; Nam, Sae Woo; Zeilinger, Anton; Ursin, Rupert

    2013-03-25

    Single photons are an important prerequisite for a broad spectrum of quantum optical applications. We experimentally demonstrate a heralded single-photon source based on spontaneous parametric down-conversion in collinear bulk optics, and fiber-coupled bolometric transition-edge sensors. Without correcting for background, losses, or detection inefficiencies, we measure an overall heralding efficiency of 83%. By violating a Bell inequality, we confirm the single-photon character and high-quality entanglement of our heralded single photons which, in combination with the high heralding efficiency, are a necessary ingredient for advanced quantum communication protocols such as one-sided device-independent quantum key distribution.

  2. SPAWAR Single Training Integrator. SPAWAR Discussions

    DTIC Science & Technology

    2012-02-01

    Information Dominance training must improve. Systems are more interdependent/integrated now more than ever and require holistic approach. Single system based training solutions are untenable to Fleet.

  3. 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

  4. Phase Transition Mechanisms in the Mineral Titanite CaTiOSiO4 Under High Pressure - a X-ray Single Crystal Study Between 7 GPa and 10 GPa

    NASA Astrophysics Data System (ADS)

    Rath, S.; Kunz, M.; Miletich, R.

    2001-12-01

    The monoclinic mineral titanite is a common accessory in many acid and intermediate igneous rock, gneises, mica shists and amphiboles. The structure of titanite is characterized by corner-linked chains of TiO6 -octahedra parallel to [100] connected via isolated SiO4 -tetrahedra. CaO7 polyhedra build chains along [101]. The octahedral Ti atoms show typical out-of-center distortions. Its behavior under high pressure can give information about the driving forces of the phase transition in ABOCO4 silicates. The behavior of titanite under high pressure has been studied up to 7 GPa and 850oK with powder diffraction, respectively [1], [2], [3] and several phase transitions were found. The structure remains monoclinic but changes from P21/a to A2/a at 3.6 GPa. Here we present evidence for a new A2/a P-1 phase transition at 10.5 GPa. At this pressure the cell metric decreased to the following values: a= 6.829(4) Å , b= 8.594(2) Å , c= 6.352(1) Å, α = 90.18(2)° , β = 112.78(2)° , γ = 89.70(2)° and V= 343.7(2) Å3. Structure refinement results of high-pressure X-ray single crystal studies at pressures from 7 to 10 GPa will be presented. In addition, we compare the titanite results to the phase transition in the topological identical malayaite CaSnSiO_4 at 5 GPa, where a similar phase transition has previously been observed [4]. [1] Angel, R.J.; Kunz, M.; Miletich, R.; Woodland, A.B.; Koch, M. and Xirouchakis, D. (1999); High-pressure phase transition in CaTiOSiO_4 titanite; Phase Transitions, 68, 533 - 543 [2] Bismayer, U.; Zhang, M.; Groat, L.A.; Salje, E.K.H and Meyer, H.-W. (1999); The \\beta - \\gamma Phase Transition in Titanite and the Isosymmetric Analogue in Malayaite; Phase Transitions, 68, 545 - 556 [3] Kunz, M., Arlt, T. and Stolz, J. (2000): In situ powder diffraction of titanite (CaTiSiO_4) at high pressure and high temperature, American Mineralogist, 85, 1465 - 1473 [4] Rath, St, Kunz, M. and Miletich, R. (2001) Pressure induced phase transition in

  5. Single-molecule magnet behavior in heterometallic M(II)-Mn(III)(2)-M(II) tetramers (M(II) = Cu, Ni) containing Mn(III) salen-type dinuclear core.

    PubMed

    Kachi-Terajima, Chihiro; Miyasaka, Hitoshi; Saitoh, Ayumi; Shirakawa, Naoki; Yamashita, Masahiro; Clérac, Rodolphe

    2007-07-23

    The linear-type heterometallic tetramers, [Mn(III)(2)(5-MeOsaltmen)(2)M(II)(2)(L)(2)](CF(3)SO(3))(2) x 2H(2)O (MII = Cu, 1a; Ni, 2a), where 5-MeOsaltmen(2-) = N,N'-(1,1,2,2-tetramethylethylene) bis(5-methoxysalicylideneiminate), and H(2)L = 3-{2-[(2-hydroxy-benzylidene)-amino]-2-methyl-propylimino}-butan-2-one oxime, have been synthesized and characterized from structural and magnetic points of view. These two compounds are isostructural and crystallize in the same monoclinic P2(1)/n space group. The structure has a [M(II)-NO-Mn(III)-(O)(2)-Mn(III)-ON-M(II)] skeleton, where -NO- is a linking oximato group derived from the non-symmetrical Schiff-base complex [M(II)(L)] and -(O)(2)- is a biphenolato bridge in the out-of-plane [Mn(2)(5-MeOsaltmen)(2)](2+) dimer. The solvent-free compounds, 1b and 2b, have also been prepared by drying of the parent compounds, 1a and 2a, respectively, at 100 degrees C under dried nitrogen. After this treatment, the crystallinity is preserved, and 1b and 2b crystallize in a monoclinic P2(1)/c space group without significant changes in their structures in comparison to 1a and 2a. Magnetic measurements on 1a and 1b revealed antiferromagnetic Mn(III)---Cu(II) interactions via the oximato group and weak ferromagnetic Mn(III)---Mn(III) interactions via the biphenolato bridge leading to an S(T) = 3 ground state. On the other hand, the diamagnetic nature of the square planar Ni(II) center generates an S(T) = 4 ground state for 2a and 2b. At low temperature, these solvated (a) and desolvated (b) compounds display single-molecule magnet behavior modulated by their spin ground state.

  6. Denial of pregnancy in single women.

    PubMed

    Berns, J

    1982-11-01

    Despite the increase in single mothers having and raising children, a small group of single women successfully conceal pregnancy, obtain no prenatal care, and request adoption immediately after delivery. The author discusses the role of the hospital social worker with such patients and the need to improve access to planning and prenatal care.

  7. Ames Lab 101: Single Crystal Growth

    SciTech Connect

    Schlagel, Deborah

    2013-09-27

    Ames Laboratory scientist Deborah Schlagel talks about the Lab's research in growing single crystals of various metals and alloys. The single crystal samples are vital to researchers' understanding of the characteristics of a materials and what gives these materials their particular properties.

  8. 10 CFR 603.1115 - Single audits.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 4 2013-01-01 2013-01-01 false Single audits. 603.1115 Section 603.1115 Energy DEPARTMENT... Administration § 603.1115 Single audits. For audits of for-profit participant's systems, under §§ 603.640 through 603.660, the contracting officer is the focal point for ensuring that participants submit...

  9. Single Parent/Homemaker Project Reports.

    ERIC Educational Resources Information Center

    Kentucky State Dept. of Education, Frankfort. Office of Vocational Education.

    Annual reports, project descriptions, and various other materials are provided for 35 projects. Most of the projects focus on homemaking; some are on sex equity. Project titles include: Single Parent/Adult Homemaker Reentry Program (Ashland Community College); Career Awareness Class for the Single Parent and/or Homemaker (Cumberland Valley Health…

  10. Single Parent Families: Diversity, Myths and Realities.

    ERIC Educational Resources Information Center

    Hanson, Shirley M. H., Ed.; And Others

    Major changes are taking place in western families which affect the way professionals interact with families. Drawing on a multidisciplinary team of scholars, this book presents a synthesis of the demographic, theoretical, and research data on the various permutations of the single parent family. Topics include economics, single custodial or…

  11. Confinement stabilises single crystal vaterite rods.

    PubMed

    Schenk, Anna S; Albarracin, Eduardo J; Kim, Yi-Yeoun; Ihli, Johannes; Meldrum, Fiona C

    2014-05-11

    Single-crystals of vaterite, the least-stable anhydrous polymorph of CaCO3, are rare in biogenic and synthetic systems. We here describe the synthesis of high aspect ratio single crystal vaterite rods under additive-free conditions by precipitating CaCO3 within the cylindrical pores of track-etch membranes.

  12. Single Mother Parenting and Adolescent Psychopathology.

    PubMed

    Daryanani, Issar; Hamilton, Jessica L; Abramson, Lyn Y; Alloy, Lauren B

    2016-10-01

    Children raised in single-mother families are at increased risk for psychopathology, but the mechanisms that help explain this relationship are understudied. In a community sample of diverse adolescents (N = 385, 52 % female, 48 % Caucasian) and their mothers, we hypothesized that single mothers would be more likely than cohabitating mothers to engage in negative parenting behaviors, which would predict adolescent psychopathology prospectively. Single mothers were more likely to engage in psychologically controlling behaviors, which predicted to their adolescent offspring experiencing higher rates of depressive symptoms and externalizing disorders. Girls were more susceptible to depressive symptoms via psychologically controlling parenting than boys in single-mother families. Further, single mothers were more likely to engage in rejecting parenting behaviors, which predicted to a higher prevalence of adolescent externalizing disorders. Surprisingly, rejection in single-mother families predicted to less severe anxiety symptoms in adolescents relative to two-parent families. It is likely that single mothers are not inherently inferior parents relative to cohabitating mothers; rather, their parenting practices are often compromised by a myriad of demands and stressors. Consistent with this postulate, low socioeconomic status was associated with single motherhood and negative parenting behaviors. Clinical implications and study limitations are discussed.

  13. Ultratough single crystal boron-doped diamond

    DOEpatents

    Hemley, Russell J [Carnegie Inst. for Science, Washington, DC ; Mao, Ho-Kwang [Carnegie Inst. for Science, Washington, DC ; Yan, Chih-Shiue [Carnegie Inst. for Science, Washington, DC ; Liang, Qi [Carnegie Inst. for Science, Washington, DC

    2015-05-05

    The invention relates to a single crystal boron doped CVD diamond that has a toughness of at least about 22 MPa m.sup.1/2. The invention further relates to a method of manufacturing single crystal boron doped CVD diamond. The growth rate of the diamond can be from about 20-100 .mu.m/h.

  14. 10 CFR 603.1115 - Single audits.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Single audits. 603.1115 Section 603.1115 Energy DEPARTMENT... Administration § 603.1115 Single audits. For audits of for-profit participant's systems, under §§ 603.640 through 603.660, the contracting officer is the focal point for ensuring that participants submit...

  15. Ames Lab 101: Single Crystal Growth

    ScienceCinema

    Schlagel, Deborah

    2016-07-12

    Ames Laboratory scientist Deborah Schlagel talks about the Lab's research in growing single crystals of various metals and alloys. The single crystal samples are vital to researchers' understanding of the characteristics of a materials and what gives these materials their particular properties.

  16. Undergraduate Single Mothers' Experiences in Postsecondary Education

    ERIC Educational Resources Information Center

    Beeler, Sydney

    2016-01-01

    Using Astin's (1993) College Impact Model, this chapter explores the current literature as it relates to single mothers in undergraduate postsecondary education. The chapter looks at the ways that undergraduates who are single mothers are counter to the "ideal-student" norms. Policy and best-practice recommendations conclude the chapter.

  17. Saha equation, single and two particle states

    NASA Technical Reports Server (NTRS)

    Kraeft, W. D.; Girardeau, M. D.; Strege, B.

    1990-01-01

    Single- and two-particle properties in a dense plasma are discussed in connection with their role in the mass action law for a partially ionized plasma. The two-particle-bound states are nearly density independent, while the continuum is essentially shifted. The single-particle states are damped, and their energy has a negative shift and a parabolic behavior for small momenta.

  18. Single-Level and Multilevel Mediation Analysis

    ERIC Educational Resources Information Center

    Tofighi, Davood; Thoemmes, Felix

    2014-01-01

    Mediation analysis is a statistical approach used to examine how the effect of an independent variable on an outcome is transmitted through an intervening variable (mediator). In this article, we provide a gentle introduction to single-level and multilevel mediation analyses. Using single-level data, we demonstrate an application of structural…

  19. Single-Sex Classes. Research Brief

    ERIC Educational Resources Information Center

    Walker, Karen

    2004-01-01

    The research that has been conducted on single-sex schools and classes, has for the most part, been done in the private school and college realm, primarily because very few public schools established single-sex programs. One of the consistent findings has been that with so much emphasis having been placed on the development of girls, that boys are…

  20. Low-temperature phase transitions in [Cd(DMSO)6](BF4)2 studied by differential scanning calorimetry, X-ray single crystal diffraction and infrared absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Szostak, Elżbieta; Migdał-Mikuli, Anna; Bernard, Paweł

    2015-07-01

    The differential scanning calorimetry (DSC) measurements made for [Cd(DMSO)6](BF4)2, in the temperature range of 113-298 K revealed existence of two low-temperature solid-solid phase transitions: phase Cr 3 ↔ phase Cr 2 at Tc2 c = 218 K and phase Cr 2 ↔ phase Cr 1 at Tc1 c = 246 K. X-ray single crystal diffraction studies of [Cd(DMSO)6](BF4)2 have shown that these transitions are related to a crystal symmetry reduction from an orthorhombic crystallographic system (Fdd2, No. 43) to a monoclinic one (Cc, No. 9). The [Cd(DMSO)6](BF4)2 compound undergoes also series of reversible high temperature phase transitions but they are not a subject of this work and will be presented in our next paper. The characteristic changes of the FT-FIR, FT-MIR and FT-RS spectra of [Cd(DMSO)6](BF4)2 at the phase transitions' temperatures confirmed that phase transitions phase Cr 3 ↔ phase Cr 2 ↔ phase Cr 1 are related to the crystal structure change. It was also found that the reorientation of the BF4- anions and DMSO ligands freezes below 218 K.

  1. Investigation of the structure and properties of K{sub 9}H{sub 7}(SO{sub 4}){sub 8} {center_dot} H{sub 2}O single crystals

    SciTech Connect

    Makarova, I. P. Chernaya, T. S.; Grebenev, V. V.; Dolbinina, V. V.; Verin, I. A.; Simonov, A. A.

    2011-11-15

    The features of the conductivity of K{sub 9}H{sub 7}(SO{sub 4}){sub 8} {center_dot} H{sub 2}O single-crystal samples in the temperature range of superprotonic phase transition have been investigated. The K{sub 9}H{sub 7}(SO{sub 4}){sub 8} {center_dot} H{sub 2}O crystal structure is determined and refined taking into account hydrogen atoms by X-ray diffraction analysis at a temperature of 295 K: monoclinic symmetry, sp. gr. P2{sub 1}/c, Z = 4, a = 7.059(1), b = 19.773(1), c = 23.449(1) Angstrom-Sign , {beta} = 95.33(1) Degree-Sign , R{sub 1}/wR{sub 2} = 2.71/1.71. The structural data obtained suggest that the occurrence of high conductivity in K{sub 9}H{sub 7}(SO{sub 4}){sub 8} {center_dot} H{sub 2}O crystals with an increase in temperature is related to the diffusion of crystallization water and motion of K ions, as well as to the transformation of the system of hydrogen bonds and protonic motion. The stabilization of the high-temperature superprotonic phase and its supercooling to low temperatures are due to the presence of channels for the motion of K ions and slow backward diffusion of water in the crystal.

  2. Crystal structures of Ca-free Pb[sub 2]Sr[sub 2]RCu[sub 3]O[sub 8] (R = La, Pr, Nd, Eu, Tb, and Dy) single crystals

    SciTech Connect

    Xue, J.S.; Greedan, J.E.; Maric, M. )

    1993-02-01

    Structures of Pb[sub 2]Sr[sub 2]RCu[sub 3]O[sub 8] have been determined by single crystal X-ray diffraction. A monoclinic symmetry (C2/m, Z = 2) was found for those crystals with R = Pr, Nd, and Tb, orthorhombic (Cmmm, Z = 2) for R = La, and tetragonal (P4/mmm, Z = 1) for R = Eu and Dy. The relationship among different crystal symmetries can be understood in terms of different oxygen orderings in the PbO layers driven by the Pb[sup 2+] lone pair orientation. There is evidence for a [approximately]9% deficiency in electron density at the R = Eu and Dy sites (and [approximately]4.5% for R = Tb) which has been confirmed by mass spectroscopy as being due to cation vacancies at these sites. Bond valence sum calculations have been performed to evaluate the strains existing in the crystal structures of Pb[sub 2]Sr[sub 2]RCu[sub 3]O[sub 8]. 28 refs., 8 figs., 5 tabs.

  3. Magnetoelasticity of Fe-Si single crystals

    SciTech Connect

    Xing, Q; Wu, D.; Lograsso, T. A.

    2010-04-20

    The tetragonal magnetostriction constant, (3/2){lambda}{sub 100}, of Fe-Si single crystals was measured and was found to be structure dependent. Similar to that of Fe-Ge single crystals, (3/2){lambda}{sub 100} is positive in the single phase A2 regime, becomes negative in the single phase D0{sub 3} regime, and changes from positive to negative between the two regimes. Short-range order in the A2 regime decreases the magnetostriction prior to the onset of long range order. In the single phase regions of both A2 and D0{sub 3}, thermal history does not show any obvious effect on the magnetostriction, contrary to that found for Fe-Ga alloys. However, in the regions of phase mixture involving A2, B2, and D0{sub 3} phases, quenching pushes the change in magnetostriction from positive to negative to higher Si contents.

  4. Chemical principles of single-molecule electronics

    NASA Astrophysics Data System (ADS)

    Su, Timothy A.; Neupane, Madhav; Steigerwald, Michael L.; Venkataraman, Latha; Nuckolls, Colin

    2016-03-01

    The field of single-molecule electronics harnesses expertise from engineering, physics and chemistry to realize circuit elements at the limit of miniaturization; it is a subfield of nanoelectronics in which the electronic components are single molecules. In this Review, we survey the field from a chemical perspective and discuss the structure-property relationships of the three components that form a single-molecule junction: the anchor, the electrode and the molecular bridge. The spatial orientation and electronic coupling between each component profoundly affect the conductance properties and functions of the single-molecule device. We describe the design principles of the anchor group, the influence of the electronic configuration of the electrode and the effect of manipulating the structure of the molecular backbone and of its substituent groups. We discuss single-molecule conductance switches as well as the phenomenon of quantum interference and then trace their fundamental roots back to chemical principles.

  5. Method of making single crystal fibers

    NASA Technical Reports Server (NTRS)

    Westfall, Leonard J. (Inventor)

    1990-01-01

    Single crystal fibers are made from miniature extruded ceramic feed rods. A decomposable binder is mixed with powders to inform a slurry which is extruded into a small rod which may be sintered, either in air or in vacuum, or it may be used in the extruded and dried condition. A pair of laser beams focuses onto the tip of the rod to melt it thereby forming a liquid portion. A single crystal seed fiber of the same material as the feed rod contacts this liquid portion to establish a zone of liquid material between the feed rod and the single crystal seed fiber. The feed rod and the single crystal feed fiber are moved at a predetermined speed to solidify the molten zone onto the seed fiber while simultaneously melting additional feed rod. In this manner a single crystal fiber is formed from the liquid portion.

  6. Microfluidics for single-cell genetic analysis.

    PubMed

    Thompson, A M; Paguirigan, A L; Kreutz, J E; Radich, J P; Chiu, D T

    2014-09-07

    The ability to correlate single-cell genetic information to cellular phenotypes will provide the kind of detailed insight into human physiology and disease pathways that is not possible to infer from bulk cell analysis. Microfluidic technologies are attractive for single-cell manipulation due to precise handling and low risk of contamination. Additionally, microfluidic single-cell techniques can allow for high-throughput and detailed genetic analyses that increase accuracy and decrease reagent cost compared to bulk techniques. Incorporating these microfluidic platforms into research and clinical laboratory workflows can fill an unmet need in biology, delivering the highly accurate, highly informative data necessary to develop new therapies and monitor patient outcomes. In this perspective, we describe the current and potential future uses of microfluidics at all stages of single-cell genetic analysis, including cell enrichment and capture, single-cell compartmentalization and manipulation, and detection and analyses.

  7. Extracting Models in Single Molecule Experiments

    NASA Astrophysics Data System (ADS)

    Presse, Steve

    2013-03-01

    Single molecule experiments can now monitor the journey of a protein from its assembly near a ribosome to its proteolytic demise. Ideally all single molecule data should be self-explanatory. However data originating from single molecule experiments is particularly challenging to interpret on account of fluctuations and noise at such small scales. Realistically, basic understanding comes from models carefully extracted from the noisy data. Statistical mechanics, and maximum entropy in particular, provide a powerful framework for accomplishing this task in a principled fashion. Here I will discuss our work in extracting conformational memory from single molecule force spectroscopy experiments on large biomolecules. One clear advantage of this method is that we let the data tend towards the correct model, we do not fit the data. I will show that the dynamical model of the single molecule dynamics which emerges from this analysis is often more textured and complex than could otherwise come from fitting the data to a pre-conceived model.

  8. Single gold nanowire electrodes and single Pt@Au nanowire electrodes: electrochemistry and applications.

    PubMed

    Zhang, Yaoyao; Xu, Shen; Xiao, Xiaoqing; Liu, Yong; Qian, Yuanyuan; Li, Yongxin

    2017-03-02

    Single Au nanowire electrodes and single Pt@Au nanowire electrodes showed steady-state voltammetric responses and a fast electron-transfer rate, which have been used to fabricate an E-DNA sensor and investigate the oxygen reduction reaction at the single nanowire level.

  9. A Single Father's Shopping Bag: Purchasing Decisions in Single-Father Families

    ERIC Educational Resources Information Center

    Ziol-Guest, Kathleen M.

    2009-01-01

    Using data from the 1980 to 2003 panels of the Consumer Expenditure Survey, this article examines purchasing decisions in father-headed single-parent families. Single-father expenditures are compared to both married-parent expenditures and single-mother expenditures on 17 broad categories of household-level goods and services. Multivariate…

  10. Synthesis and structural characterization of a single-crystal to single-crystal transformable coordination polymer.

    PubMed

    Tian, Yuyang; Allan, Phoebe K; Renouf, Catherine L; He, Xiang; McCormick, Laura J; Morris, Russell E

    2014-01-28

    A single-crystal to single-crystal transformable coordination polymer compound was hydrothermally synthesized. The structural rearrangement is induced by selecting a ligand that contains both strong and weaker coordinating groups. Both hydrated and dehydrated structures were determined by single crystal X-ray analysis.

  11. Stroing single-photons in microcavities arrays

    NASA Astrophysics Data System (ADS)

    Mirza, Imran M.; Enk, S. J. Van; Kimble, H. J.

    2014-03-01

    Coupling light to arrays of microcavities is one of the most promising avenues to store/delay classical light pulses [F. Krauss, Nat. Phot. 2, 448-450 (2008)]. However, from the perspective of benefiting quantum communication protocols, the same ideas in principle can be extended down to the single-photon (quantum) level as well. Particularly, for the purposes of entanglement purification and quantum repeaters a reliable storage of single photons is needed. We consider in our work [I. M. Mirza, S. Van Enk, H. Kimble JOSA B, 30,10 (2013)] cavities that are coupled through an optical fiber which is assumed to be forming a Markovian bath. For this study two powerful open quantum system techniques, Input-Output theory for cascaded quantum systems and the Quantum Trajectory approach are used in combination. For the confirmation of photon delays the Time-Dependent Spectrum of such a single photon is obtained. Interestingly this leads to a hole-burning effect showing that only certain frequency components in the single photon wavepackets are stored inside the cavities and hence are delayed in time. Since on-demand production of single photons is not an easy task we include in our description the actual generation of the single photon by assuming a single emitter in one the resonators.

  12. Methods and applications in single molecule electronics

    NASA Astrophysics Data System (ADS)

    Hihath, Joshua

    In recent years it has become possible to measure charge transport in a single molecule contacted to two metal electrodes. However, a thorough understanding of how a molecule behaves while contacted to two electrodes and how it interacts with its environment is still lacking. This thesis demonstrates various experimental methods for understanding and controlling charge transport in a single molecule junction and the application of these methods to various molecular systems to help elucidate the conduction mechanisms invoked. First, the conductance of DNA is examined in a controlled environment while varying the length, sequence, base-pair matching, bias, temperature, and electrochemical gate of the molecule. These studies show that the conductance of DNA is extremely sensitive to changes in length, sequence, and base-matching, but not as sensitive to temperature and electrochemical gate. Despite the variety of experimental methods applied, the subtleties of the conduction mechanism remain uncertain, and as such necessitate the development of additional tools for understanding the behavior of a single molecule junction. Next, the Conductance Screening Tool for Molecules (CSTM) is described. This is a new tool capable of creating 1000's of single molecules junctions in a matter of minutes. This tool has been used to study the conductance of alkanedithiols, molecules in an array, and single amino acid residues. This system allows for greater speed and flexibility in determining the conductance of a single molecule junction, and provides a capability for performing large-scale systematic studies of molecular systems to determine the conduction mechanism. Finally, an additional experimental method capable of extracting information about the interaction between a molecule and its environment is developed. Here, electron-phonon interactions in a single molecule contacted to two electrodes are studied. This method allows one to obtain a specific, chemical signature of a

  13. Precise Magnetic Structures of Hard Ferromagnets of ND2FE14B Type as Determined at Low Temperature from Single Crystal Neutron Diffraction

    NASA Astrophysics Data System (ADS)

    Wolfers, P.; Bacmann, M.; Fruchart, D.

    2000-09-01

    The main constituent of the hard magnet materials Nd-Fe-B is the prototype of a new ferromagnet series, the Nd2Fe14B type (Space Group P42/nmm). Such compounds are characterised by high magnetocrystalline anisotropy parameters, those of rare earth origin being several times higher than the contribution of the iron subblattices. In many cases, these two contributions exhibit markedly different thermal behaviours, resulting in spin rotation phenomena or (and) lowering of the crystalline and the magnetic symmetry from the tetragonal high temperature state. Low temperature very precise studies on selected compounds of the series R2Fe14B with R = Nd, Ho, Er and Y, were undertaken by using neutron four circle diffractometry on single crystals. When temperature is lowered, the two first compounds exhibit a continuous spin reorientation within the [110] plane from the c-axis at high temperature towards an intermediate direction. The Er compound presents a first order transition around 350K where the resulting magnetisation first order rotates from the c-axis a high temperature to the a basal plane direction at low temperature. The last one compound remains c-easy axis in the whole temperature range. From our neutron diffraction experiments, lowering of the crystal symmetry to monoclinic (orthorhombic) space groups was precisely measured for the two first (third) samples. Besides marked deviations to collinearity affect the different sublattice magnetisations. Yet, these well marked phenomena have not been accounted for in the hundert experimental and theoretical analysis dedicated to the series. However, our results are in good agreement with a detailed 57Fe Mössbauer spectroscopy analysis of the Ho ternary hydrides.

  14. Topology and temperature dependence of the diffuse X-ray scattering in Na0.5Bi0.5TiO3 ferroelectric single crystals.

    PubMed

    Gorfman, Semën; Keeble, Dean S; Bombardi, Alessandro; Thomas, Pam A

    2015-10-01

    The results of high-resolution measurements of the diffuse X-ray scattering produced by a perovskite-based Na0.5Bi0.5TiO3 ferroelectric single crystal between 40 and 620 K are reported. The study was designed as an attempt to resolve numerous controversies regarding the average structure of Na0.5Bi0.5TiO3, such as the mechanism of the phase transitions between the tetragonal, P4bm, and rhombohedral | monoclinic, R3c | Cc, space groups and the correlation between structural changes and macroscopic physical properties. The starting point was to search for any transformations of structural disorder in the temperature range of thermal depoling (420-480 K), where the average structure is known to remain unchanged. The intensity distribution around the {032} pseudocubic reflection was collected using a PILATUS 100K detector at the I16 beamline of the Diamond Light Source (UK). The data revealed previously unknown features of the diffuse scattering, including a system of dual asymmetric L-shaped diffuse scattering streaks. The topology, temperature dependence, and relationship between Bragg and diffuse intensities suggest the presence of complex microstructure in the low-temperature R3c | Cc phase. This microstructure may be formed by the persistence of the higher-temperature P4bm phase, built into a lower-temperature R3c | Cc matrix, accompanied by the related long-range strain fields. Finally, it is shown that a correlation between the temperature dependence of the X-ray scattering features and the temperature regime of thermal depoling is present.

  15. Spectroscopic, single crystal X-ray, Hirshfeld, in vitro and in silico biological evaluation of a new series of potent thiazole nucleus integrated with pyrazoline scaffolds

    NASA Astrophysics Data System (ADS)

    Salian, Vinutha V.; Narayana, Badiadka; Sarojini, Balladka K.; Kumar, Madan S.; Nagananda, Govinahalli S.; Byrappa, Kullaiah; Kudva, Avinash K.

    2017-03-01

    In the present study, the spectroscopic characterization of a new series of substituted thiazole linked pyrazoline scaffolds 4a-l was performed. The formation of 4a-l from the intermediate 3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide 2 and substituted 2-bromo-1-phenylethanone 3a-l was evidenced through the changes in FTIR, 1H NMR, 13C NMR, LCMS data. The X-ray diffraction studies revealed that compound 2 and 4g crystallized in monoclinic crystal system with P21/n space group. Compound 4j crystallized in triclinic system, P1¯ space group with Z = 4. The percentage of intermolecular contacts and distribution of electrostatic potential of molecular crystal structures was resolved by Hirshfeld surface analysis with 2D finger plots and electrostatic potential map. The newly synthesized derivatives were screened for their in vitro antioxidant and antimicrobial activity. The single crystal studies revealed that, for compounds 2, 4g and 4j the isopropyl phenyl ring is positioned at near right angle with the other rings. Due to the lack of planarity of bulkier group substituted to phenyl ring (ring B), all the synthesized molecules showed weak to moderate radical scavenging capacity owing to the destabilization of the radical formed during oxidation. Also, on performing molecular docking studies to explore the interactions of ligand with the target pyrimidine nucleoside hydrolase YbeK with bound ribose complex (PNH, PDB ID-3GHW), disclosed that active compounds emerged for in vitro studies also bound to PNH more efficiently. The compounds with polar group substitution interacted through hydrogen bonding while other molecules with non-covalent interactions.

  16. Single mode lasing in coupled nanowires

    NASA Astrophysics Data System (ADS)

    Xiao, Yao; Meng, Chao; Wu, Xiaoqin; Tong, Limin

    2011-07-01

    We demonstrate single mode lasing in coupled CdSe nanowires. By coupling two 420 nm diameter CdSe nanowires to form an X-structure cavity, single-mode lasing emission around 734.3 nm is obtained with line width of 0.11 nm and lasing threshold of about 120 μJ/cm2. Mode selection in the lasing nanowire is realized via Vernier effect in the coupled cavities. Our results suggest a simple approach to single-mode nanowire lasers.

  17. Single molecule study of silicon quantum dots

    NASA Astrophysics Data System (ADS)

    So, Woong Young; Li, Qi; Jin, Rongchao; Peteanu, Linda

    2016-09-01

    Recently, fluorescent Silicon (Si) Quantum Dots (QDs) have attracted much interest due to their high quantum yield, use of non-toxic and environmentally-benign chemicals, and water-solubility. However, more research is necessary to understand the energy level characteristics and single molecule behavior to enable their development for imaging applications. Therefore, single molecule time-resolved fluorescence spectroscopy of fluorescent Si QDs (cyan, green, and yellow) is needed. A rigorous analysis of time-resolved photon correlation spectroscopy and fluorescence lifetime data on single Si QDs at room temperature is presented.

  18. Automated Single Cell Data Decontamination Pipeline

    SciTech Connect

    Tennessen, Kristin; Pati, Amrita

    2014-03-21

    Recent technological advancements in single-cell genomics have encouraged the classification and functional assessment of microorganisms from a wide span of the biospheres phylogeny.1,2 Environmental processes of interest to the DOE, such as bioremediation and carbon cycling, can be elucidated through the genomic lens of these unculturable microbes. However, contamination can occur at various stages of the single-cell sequencing process. Contaminated data can lead to wasted time and effort on meaningless analyses, inaccurate or erroneous conclusions, and pollution of public databases. A fully automated decontamination tool is necessary to prevent these instances and increase the throughput of the single-cell sequencing process

  19. Single Top Quark Measurements at the Tevatron

    SciTech Connect

    Ronzani, Manfredi

    2014-12-01

    This paper reports the most recent measurements of single top quark production performed by CDF and D0 collaborations in proton-antiproton collisions at Tevatron. Events are selected in the lepton+jets final state by CDF and D0 and in the missing transverse energy plus jets final state by CDF. The small single top signal in s-channel, t-channel and inclusive s+t channel is separated from the large background by using different multivariate techniques. We also present the most recent results on extraction of the CKM matrix element $|V_{tb}|$ from the single top quark cross section.

  20. Comparing single and serial homicide offenses.

    PubMed

    Kraemer, Gretchen W; Lord, Wayne D; Heilbrun, Kirk

    2004-01-01

    Serial homicide has attracted much attention, but little empirical scientific investigation. This exploratory study reports demographic information on a large sample of serial homicide offenders (157 offenders, 608 victims), and compares a subsample of serial homicide offenses with a control group of single homicide offenses. Results show that serial homicide offenders target more women than men, and kill more strangers than family or friends. Single homicide offenders kill men and women in equal frequency, but kill family and friends more often than strangers. Serial homicide offenders kill for apparent sexual motivation more often than for any other reason, while single homicide offenders kill most often out of anger.