WorldWideScience

Sample records for crystal sc materials

  1. The new single crystal diffractometer SC3

    International Nuclear Information System (INIS)

    Schefer, J.; Koch, M.; Keller, P.; Fischer, S.; Thut, R.

    1996-01-01

    Single crystal diffraction is a powerful method for the determination of precise structure parameters, superlattices, stress. Neutron single crystal diffraction gives additionally to X-rays information on magnetic structures, both commensurate and incommensurate, hydrogen positions, hydrogen bonding behavior and accurate bondlengths, e.g. important in cuprates. The method is therefore especially powerful if combined with X-ray diffraction results. The new instrument at SINQ has been designed for inorganic materials and is positioned at a thermal beam tube, pointing on a water scatterer. This scatterer is presently operating with H 2 O at ambient temperature, but a change to another medium at different temperature is possible. The instrument will be equipped with three area detectors, moving at fixed difference in 2Θ. each detector may be individually moved around a vertical circle (tilting angle γ), allowing to use not only 4-circle geometry in the temperature range from 1.5 to 380 K, but also any equipment from a dilution refrigerator (7 mK) to a heavy magnet. A high temperature furnace for 4-circle geometry is foreseen as a future option. (author) 6 figs., 1 tab., 7 refs

  2. The new single crystal diffractometer SC3

    Energy Technology Data Exchange (ETDEWEB)

    Schefer, J; Koch, M; Keller, P; Fischer, S; Thut, R [Lab. for Neutron Scattering ETH Zurich, Zurich (Switzerland) and Paul Scherrer Institute, Villigen (Switzerland)

    1996-11-01

    Single crystal diffraction is a powerful method for the determination of precise structure parameters, superlattices, stress. Neutron single crystal diffraction gives additionally to X-rays information on magnetic structures, both commensurate and incommensurate, hydrogen positions, hydrogen bonding behavior and accurate bondlengths, e.g. important in cuprates. The method is therefore especially powerful if combined with X-ray diffraction results. The new instrument at SINQ has been designed for inorganic materials and is positioned at a thermal beam tube, pointing on a water scatterer. This scatterer is presently operating with H{sub 2}O at ambient temperature, but a change to another medium at different temperature is possible. The instrument will be equipped with three area detectors, moving at fixed difference in 2{Theta}. each detector may be individually moved around a vertical circle (tilting angle {gamma}), allowing to use not only 4-circle geometry in the temperature range from 1.5 to 380 K, but also any equipment from a dilution refrigerator (7 mK) to a heavy magnet. A high temperature furnace for 4-circle geometry is foreseen as a future option. (author) 6 figs., 1 tab., 7 refs.

  3. Lanthanide-doped NaScF4 nanoprobes: crystal structure, optical spectroscopy and biodetection.

    Science.gov (United States)

    Ai, Yu; Tu, Datao; Zheng, Wei; Liu, Yongsheng; Kong, Jintao; Hu, Ping; Chen, Zhuo; Huang, Mingdong; Chen, Xueyuan

    2013-07-21

    Trivalent lanthanide ions (Ln(3+))-doped inorganic nanoparticles (NPs) as potential luminescent bioprobes have been attracting tremendous interest because of their unique upconversion (UC) and downconversion (DC) luminescence properties. NaScF4, as an important host material, has been rarely reported and its crystal structure remains unclear. Herein, based on the single crystal X-ray diffraction, the space group of NaScF4 crystals was determined to be P31 containing multiple sites of Sc(3+) with crystallographic site symmetry of C1, which was verified by high-resolution photoluminescence spectroscopy of Eu(3+) at low temperature (10 K). Furthermore, monodisperse and size-controllable NaScF4:Ln(3+) NPs were synthesized via a facile thermal decomposition method. The biotinylated NaScF4:Er(3+)/Yb(3+) NPs were demonstrated for their applications as a heterogeneous UC luminescence bioprobe to detect avidin with a detection limit of 180 pM. After bioconjugation with amino-terminal fragment (ATF) of urokinase plasminogen activator (uPA), NaScF4:Ln(3+) NPs also exhibited specific recognition of cancer cells overexpressed with uPA receptor (uPAR, an important marker of tumor biology and metastasis), showing great potentials in tumor-targeted bioimaging.

  4. Synthesis and crystal structure of the first Sc-Nb-O-N phases

    Energy Technology Data Exchange (ETDEWEB)

    Orthmann, Steven; Lerch, Martin [Institut fuer Chemie, Technische Universitaet Berlin (Germany)

    2017-11-17

    Synthesis of phase-pure materials in the system Sc-Nb-O-N is challenging. In this contribution we report on the preparation of the first scandium niobium oxide nitrides via reaction of water-saturated gaseous ammonia or an ammonia-oxygen mixture with amorphous scandium niobium oxides. Two new phases were obtained: rutile-type ScNb{sub 4}O{sub 7}N{sub 3}, which crystallizes in space group P4{sub 2}/mnm, and an anion-deficient fluorite-type Sc{sub 2}Nb(O,N,⬜){sub 6} phase crystallizing in space group Fm anti 3m. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Crystal, magnetic, calorimetric and electronic structure investigation of GdScGe1-x Sb x compounds

    Science.gov (United States)

    Guillou, F.; Pathak, A. K.; Hackett, T. A.; Paudyal, D.; Mudryk, Y.; Pecharsky, V. K.

    2017-12-01

    Experimental investigations of crystal structure, magnetism and heat capacity of compounds in the pseudoternary GdScGe-GdScSb system combined with density functional theory projections have been employed to clarify the interplay between the crystal structure and magnetism in this series of RTX materials (R  =  rare-earth, T   =  transition metal and X  =  p-block element). We demonstrate that the CeScSi-type structure adopted by GdScGe and CeFeSi-type structure adopted by GdScSb coexist over a limited range of compositions 0.65 ≤slant x ≤slant 0.9 . Antimony for Ge substitutions in GdScGe result in an anisotropic expansion of the unit cell of the parent that is most pronounced along the c axis. We believe that such expansion acts as the driving force for the instability of the double layer CeScSi-type structure of the parent germanide. Extensive, yet limited Sb substitutions 0 ≤slant x disappearance of the induced magnetic moments on Sc. For the parent antimonide, heat capacity measurements indicate an additional transition below the main antiferromagnetic transition.

  6. Reduction of the thermal conductivity of the thermoelectric material ScN by Nb alloying

    DEFF Research Database (Denmark)

    Tureson, Nina; Van Nong, Ngo; Fournier, Daniele

    2017-01-01

    ) orientation. The crystal structure, morphology, thermal conductivity, and thermoelectric and electrical properties were investigated. The ScN reference film exhibited a Seebeck coefficient of −45 μV/K and a power factor of 6 × 10−4 W/m K2 at 750 K. Estimated from room temperature Hall measurements, all...... samples exhibit a high carrier density of the order of 1021 cm−3. Inclusion of heavy transition metals into ScN enables the reduction in thermal conductivity by an increase in phonon scattering. The Nb inserted ScN thin films exhibited a thermal conductivity lower than the value of the ScN reference (10.......5 W m−1 K−1) down to a minimum value of 2.2 Wm−1 K−1. Insertion of Nb into ScN thus resulted in a reduction in thermal conductivity by a factor of ∼5 due to the mass contrast in ScN, which increases the phonon scattering in the material....

  7. Optical properties and radiation response of Ce3+-doped GdScO3 crystals

    International Nuclear Information System (INIS)

    Yamaji, Akihiro; Fujimoto, Yutaka; Futami, Yoshisuke; Yokota, Yuui; Kurosawa, Shunsuke; Kochurikhin, Vladimir; Yanagida, Takayuki; Yoshikawa, Akira

    2012-01-01

    10%-Ce doped GdScO 3 perovskite type single crystal was grown by the Czochralski process. The Ce concentration in the crystal was measured. No impurity phases were observed by powder X-ray diffraction analysis. We evaluated the optical and radiation properties of the grown crystal. Ce:GdScO 3 crystal showed photo- and radio-luminescence peaks due to Ce 3+ of 5d-4f transition and colour centre. The photoluminescence decay time was sub-ns order. The relative light yield under 5.5 MeV alpha-ray excitation was calculated to be approximately 9% of BGO. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. Method for fitting crystal field parameters and the energy level fitting for Yb3+ in crystal SC2O3

    International Nuclear Information System (INIS)

    Qing-Li, Zhang; Kai-Jie, Ning; Jin, Xiao; Li-Hua, Ding; Wen-Long, Zhou; Wen-Peng, Liu; Shao-Tang, Yin; Hai-He, Jiang

    2010-01-01

    A method to compute the numerical derivative of eigenvalues of parameterized crystal field Hamiltonian matrix is given, based on the numerical derivatives the general iteration methods such as Levenberg–Marquardt, Newton method, and so on, can be used to solve crystal field parameters by fitting to experimental energy levels. With the numerical eigenvalue derivative, a detailed iteration algorithm to compute crystal field parameters by fitting experimental energy levels has also been described. This method is used to compute the crystal parameters of Yb 3+ in Sc 2 O 3 crystal, which is prepared by a co-precipitation method and whose structure was refined by Rietveld method. By fitting on the parameters of a simple overlap model of crystal field, the results show that the new method can fit the crystal field energy splitting with fast convergence and good stability. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  9. Crystal growth and piezoelectric properties of Ca3Ta(Ga0.9Sc0.1)3Si2O14 bulk single crystal

    Science.gov (United States)

    Igarashi, Yu; Yokota, Yuui; Ohashi, Yuji; Inoue, Kenji; Yamaji, Akihiro; Shoji, Yasuhiro; Kamada, Kei; Kurosawa, Shunsuke; Yoshikawa, Akira

    2018-03-01

    Ca3Ta(Ga0.9Sc0.1)3Si2O14 langasite-type single crystal with a diameter of 1 in. was grown by Czochralski (Cz) method. Obtained crystal had good crystallinity and its lattice constants exceeded those of Ca3TaGa3Si2O14 (CTGS) according to the X-ray analysis. A crack-free specimen cut from the grown crystal was used for the measurements of dielectric constant ε11T/ε0, electromechanical coupling factor k12, and piezoelectric constant d11. The accuracies of these measurements were better than those for the crystal grown by micro-pulling-down (μ-PD) method. Substitution of Ga with Sc resulted modification of these constants in the directions opposite to those observed after partial substitution of Ga (of CTGS) with Al. This suggests that increase of |d14| was most probably associated with enlargement of average size of the Ga sites. The crystal reported here had greater dimensions as compared to analogous crystals grown by the μ-PD method. As a result, accuracy of determination of acoustic constants of this material may be improved.

  10. Crystal structure and phase stability of AlSc in the near-equiatomic Al–Sc alloy

    Energy Technology Data Exchange (ETDEWEB)

    Li, Juan; Huang, Li; Liang, Yongfeng [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, 30 Xueyuan Road, Beijing 100083 (China); Ye, Feng, E-mail: yefeng@skl.ustb.edu.cn [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, 30 Xueyuan Road, Beijing 100083 (China); Lin, Junpin [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, 30 Xueyuan Road, Beijing 100083 (China); Shang, Shunli; Liu, Zikui [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802 (United States)

    2015-01-05

    Highlights: • Two lattice structures of equiatomic Al–Sc compounds are confirmed. • Al–Sc phase at Sc 50 at.% has a space group of Pbam. • Al–Sc phase at Sc 55 at.% has a space group of B2. • B2 AlSc is a metastable phase with Sc 50 at.%. • Lattice transition between two compounds is proposed under local thermal stress. - Abstract: Intermetallic compound AlSc is found in the equiatomic Al–Sc binary alloy. The present work indicates that the orthorhombic AlSc with the Au{sub 2}CuZn-type structure can be formed at 50 at.% Sc, while the CsCl-type (B2) AlSc will be formed at 55 at.% Sc. After annealing at 1100 °C, some orthorhombic AlSc grains transit to the B2 structure, and the annealing at lower temperatures leads to the disappearance of B2 phase, indicating that the B2 AlSc is also a metastable phase in the alloy at lower Sc content (<50 at.%). First-principle calculations at 0 K reveal that the orthorhombic AlSc is more stable than the B2 AlSc with the energy difference between them being 5.4 meV/atom. The fast transition between these two phases, which cannot be interpreted by the mechanism of atomic diffusion, was tentatively analyzed by the volume change based on the calculated atomic positions of these two phases.

  11. Lightweight hydrogen-storage material Mg0.65Sc0.35D2 studied with 2H and 2H–{45Sc} MAS NMR exchange spectroscopy

    NARCIS (Netherlands)

    Srinivasan, S.; Magusin, P.C.M.M.

    2011-01-01

    Using double-quantum 2H MAS NMR with 45Sc recoupling and Bloch–Siegert compensated 2H–{45Sc} TRAPDOR we have identified the overlapping NMR signals of deuterium with and without scandium neighbors in Mg0.65Sc0.35D2, a candidate lightweight material for hydrogen storage. At room temperature we also

  12. Crystal structure and magnetic properties of the solid-solution phase Ca3Co2-v Sc v O6

    International Nuclear Information System (INIS)

    Hervoches, Charles H.; Fredenborg, Vivian Miksch; Kjekshus, Arne; Fjellvag, Helmer; Hauback, Bjorn C.

    2007-01-01

    The two crystallographically non-equivalent Co atoms of the quasi-one-dimensional crystal structure of Ca 3 Co 2 O 6 form chains with alternating, face-sharing polyhedra of Co2O 6 trigonal prisms and Co1O 6 octahedra. This compound forms a substitutional solid-solution phase with Sc, in which the Sc atoms enter the Co2 sublattice exclusively. The homogeneity range of Ca 3 Co 2- v Sc v O 6 (more specifically Ca 3 Co1Co2 1- v Sc v O 6 ) extends up to v∼0.55. The crystal structure belongs to space group R3-barc with lattice parameters (in hexagonal setting): 9.0846(3)≤a≤9.1300(2) A and 10.3885(4)≤c≤10.4677(4) A. The magnetic moment decreases rapidly with increasing amount of the non-magnetic Sc solute in the lattice. - Graphical abstract: The quasi-one-dimensional Ca 3 Co 2 O 6 phase forms a substitutional solid-solution system with Sc, in which the Sc atoms enter the Co2 sublattice exclusively. The homogeneity range of Ca 3 Co 2- v Sc v O 6 extends up to v∼0.55. The magnetic moment decreases rapidly with increasing amount of the non-magnetic Sc solute in the lattice

  13. Development of Field-Controlled Smart Optic Materials (ScN, AlN) with Rare Earth Dopants

    Science.gov (United States)

    Kim, Hyun-Jung; Park, Yeonjoon; King, Glen C.; Choi, Sang H.

    2012-01-01

    The purpose of this investigation is to develop the fundamental materials and fabrication technology for field-controlled spectrally active optics that are essential for industry, NASA, and DOD applications such as: membrane optics, filters for LIDARs, windows for sensors, telescopes, spectroscopes, cameras, flat-panel displays, etc. ScN and AlN thin films were fabricated on c-axis Sapphire (0001) or quartz substrate with the RF and DC magnetron sputtering. The crystal structure of AlN in fcc (rocksalt) and hcp (wurtzite) were controlled. Advanced electrical characterizations were performed, including I-V and Hall Effect Measurement. ScN film has a free carrier density of 5.8 x 10(exp 20)/per cubic centimeter and a conductivity of 1.1 x 10(exp 3) per centimeter. The background ntype conductivity of as-grown ScN has enough free electrons that can readily interact with the photons. The high density of free electrons and relatively low mobility indicate that these films contain a high level of shallow donors as well as deep levels. Also, the UV-Vis spectrum of ScN and AlN thin films with rare earth elements (Er or Ho) were measured at room temperature. Their optical band gaps were estimated to be about 2.33eV and 2.24eV, respectively, which are obviously smaller than that of undoped thin film ScN (2.4eV). The red-shifted absorption onset gives direct evidence for the decrease of band gap (Eg) and the energy broadening of valence band states are attributable to the doping. As the doped elements enter the ScN crystal lattices, the localized band edge states form at the doped sites with a reduction of Eg. Using a variable angle spectroscopic ellipsometer, the decrease in refractive index with applied field is observed with a smaller shift in absorption coefficient.

  14. Biogenic Crystal and New Materials

    International Nuclear Information System (INIS)

    Bigi, A.; Falini, G.; Gazzano, M.; Roveri, N.; Ripamonti, A.; CNR, Bologna

    1998-01-01

    Organism use inorganic compounds to form inorganic-organic structured composites, with remarkable properties and functions. The target of many laboratory experiments is the natural processes simulation, in order to understand the molecular recognition process between the nucleation sites on the macromolecular matrix and the ions on the growing crystal nuclei. The understanding of biological phenomena opens new routes to the design of new materials or to the improvement of ceramics, polymers, semiconductors and composites [it

  15. Ionic Liquid Crystals: Versatile Materials.

    Science.gov (United States)

    Goossens, Karel; Lava, Kathleen; Bielawski, Christopher W; Binnemans, Koen

    2016-04-27

    This Review covers the recent developments (2005-2015) in the design, synthesis, characterization, and application of thermotropic ionic liquid crystals. It was designed to give a comprehensive overview of the "state-of-the-art" in the field. The discussion is focused on low molar mass and dendrimeric thermotropic ionic mesogens, as well as selected metal-containing compounds (metallomesogens), but some references to polymeric and/or lyotropic ionic liquid crystals and particularly to ionic liquids will also be provided. Although zwitterionic and mesoionic mesogens are also treated to some extent, emphasis will be directed toward liquid-crystalline materials consisting of organic cations and organic/inorganic anions that are not covalently bound but interact via electrostatic and other noncovalent interactions.

  16. Optical properties and radiation response of Ce{sup 3+}-doped GdScO{sub 3} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yamaji, Akihiro; Fujimoto, Yutaka; Futami, Yoshisuke; Yokota, Yuui; Kurosawa, Shunsuke [Institute of Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Kochurikhin, Vladimir [General Physics Institute, 38 Vavilov Str., 119991 Moscow (Russian Federation); Yanagida, Takayuki [New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aramaki, Aoba-ku, Sendai 980-8579 (Japan); Yoshikawa, Akira [Institute of Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aramaki, Aoba-ku, Sendai 980-8579 (Japan)

    2012-12-15

    10%-Ce doped GdScO{sub 3} perovskite type single crystal was grown by the Czochralski process. The Ce concentration in the crystal was measured. No impurity phases were observed by powder X-ray diffraction analysis. We evaluated the optical and radiation properties of the grown crystal. Ce:GdScO{sub 3} crystal showed photo- and radio-luminescence peaks due to Ce{sup 3+} of 5d-4f transition and colour centre. The photoluminescence decay time was sub-ns order. The relative light yield under 5.5 MeV alpha-ray excitation was calculated to be approximately 9% of BGO. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Luminescence and scintillation properties of XPO4:Nd3+ (X = Y, Lu, Sc, La) crystals

    Science.gov (United States)

    Makowski, Michał; Witkowski, Marcin E.; Drozdowski, Winicjusz; Wojtowicz, Andrzej J.; Wisniewski, Krzysztof; Boatner, Lynn A.

    2018-05-01

    Due to their very fast short-wavelength emission, neodymium-doped materials are a subject of current interest as potential scintillators. Although the initial reports regarding neodymium-doped orthophosphates (in crystalline form) and their scintillation properties appeared almost twenty years ago, they remain an interesting class of materials since there is no in-depth understanding of their fundamental scintillation mechanism. In the present research, we focus on the crystalline systems: XPO4:Nd3+, where X = Y, Lu, La, Sc. The pulse height, optical absorption, radioluminescence and photoluminescence spectra were investigated and are reported here for various temperatures from 10 to 350 K. Additionally, results of both low and high temperature thermoluminescence measurements are reported in this communication.

  18. Crystallization and structural approaches of rare earths aluminosilicate glasses (Ln = La, Y, Sc)

    International Nuclear Information System (INIS)

    Sadiki, N.; Coutures, J.P.; Hennet, L.; Florian, P.; Vaills, Y.; Massiot, D.

    2010-01-01

    The crystallization behaviour of aluminosilicate glasses of lanthanum, yttrium and scandium has been studied by DTA, XRD, SEM-EDX and EPMA analysis. Young modulus E and hardness H have been measured by using nano-indentation and elastic modulus C 11 and C 44 by Brillouin scattering. The Young modulus measured by nano-indentation agree to those determined by Brillouin scattering and those calculated using Makishima-Mackenzie and Rocherulle model's. The results of DTA analysis indicate that (a) the glass transition temperatures T g are higher for yttrium and scandium containing glasses than their lanthanum counterparts, the melting observed in the yttrium glasses and recently in the scandium glasses correspond to the ternary eutectic Ln 2 O 3 -Al 2 O 3 -SiO 2 (Ln = Y, Sc) (b) the thermal stability is strongly related to the ionic radii of the rare earth. The last results obtained on scandium containing glasses confirm this hypothesis. The XRD results show that the nature of the observed crystallized phases is consistent with the phase diagrams. We also have investigated by NMR-MAS of 27 Al (high field- 17.6 T) these glasses. The results indicate that Al(V) species are correlated to the ionic radii of the rare earth. X-rays and neutron scattering experiments have been respectively performed on the high energy diffraction beam lines ID11 and ID15 at ESRF. The interatomic distances and first-shell coordination numbers were determined. The results are consistent with those performed by NMR-MAS. (authors)

  19. Comparison of Spectral and Scintillation Properties of LuAP:Ce and LuAP:Ce,Sc Single Crystals

    Science.gov (United States)

    Petrosyan, Ashot G.; Derdzyan, Marina; Ovanesyan, Karine; Shirinyan, Grigori; Lecoq, Paul; Auffray, Etiennette; Kronberger, Matthias; Frisch, Benjamin; Pedrini, Christian; Dujardin, Christophe

    2009-10-01

    Scintillation properties of LuAP:Ce and LuAP:Ce,Sc crystal series were studied under excitation by gamma-rays from a 137Cs source. Both series demonstrated comparable optical quality in terms of underlying absorption at 260 nm, slope of the optical edge and transmission in the range of emission. The light yield of LuAP:Ce crystals measured in 0.2 cm times 0.2 cm times 0.8 cm pixels increases linearly with the Ce concentration reaching at 0.58 at. % 6448 plusmn 322 ph/MeV and 9911 plusmn 496 ph/MeV in the long and in the short directions respectively (the light yield ratio is 65%) and shows no sign of light saturation. The energy resolution is found to depend, among other factors, on the uniformity of Ce concentration within the pixels and is improved to 7.1 plusmn 0.4% (I = 0.2 cm), 9.5 plusmn 0.5% (I = 0.8 cm). Intentional co-doping with Sc + ions was tested and resulted in increase of the Ce distribution coefficient to about 0.3. This enabled to increase the concentration of Ce in LuAP:Ce,Sc crystals up to 0.7 at. %, while conserving high optical quality. In contrast to LuAP:Ce, the light yield in LuAP:Ce,Sc crystals does not increase with Ce concentration, the photo peak being gradually suppressed. The involved mechanisms are discussed basing on measurements of the unit cell volumes, Ce concentration uniformity, x-ray rocking spectra, absorption spectra of pure and variously doped LuAP crystals, and emission spectra under different excitations.

  20. Crystal structure of Na3Sc2(PO4)3 at 60 deg C

    International Nuclear Information System (INIS)

    Lazoryak, B.I.; Kalinin, V.B.; Stefanovich, S.Yu.; Efremov, V.A.

    1980-01-01

    The structure of the ferroelectric phase of Na 3 Sc 2 (PO 4 ) 3 compound was studied. Na 3 Sc 2 (PO 4 ) 3 monocrystal heated by a jet of warm N 2 was investigated at 60 deg C. The rhombohedron modification was determined: a=8.927(3), c=22.34(4) A, Z=6, space group R anti 3c. Interatomic distances and inner angles of polyhedrons in Na 3 Sc 2 (PO 4 ) 3 structure were determined

  1. Crystal growth and computational materials science

    International Nuclear Information System (INIS)

    Jayakumar, S.; Ravindran, P.; Arun Kumar, R.; Sudarshan, C.

    2012-01-01

    The proceedings of the international conference on advanced materials discusses the advances being made in the area of single crystals, their preparation and device development from these crystals and details of the progress that is taking place in the computational field relating to materials science. Computational materials science makes use of advanced simulation tools and computer interfaces to develop a virtual platform which can provide a model for real-time experiments. This book includes selected papers in topics of crystal growth and computational materials science. We are confident that the new concepts and results presented will stimulate and enhance progress of research on crystal growth and computational materials science. Papers relevant to INIS are indexed separately

  2. Effects of Zr4+ codoping on the Lu0.8Sc0.2BO3:Ce scintillation materials

    International Nuclear Information System (INIS)

    Wu, Yuntao; Ren, Guohao; Ding, Dongzhou; Shang, Shanshan; Sun, Dandan; Zhang, Guoqing; Wang, Jiayu; Pan, Shangke; Yang, Fan

    2013-01-01

    Both Zr-codoped Lu 0.8 Sc 0.2 BO 3 :Ce polycrystalline powders and single crystals were obtained by solid-state reaction and Czochralski method, respectively. The effects of Zr codoping on the optical absorption, Ce 3+ /Ce 4+ ratio, scintillation efficiency, decay time and point defect in Lu 0.8 Sc 0.2 BO 3 :Ce materials were examined systematically. Our results show that there is no positive contribution of Zr 4+ ion codoping to the scintillation efficiency. And the reasons for the deterioration of scintillation efficiency by codoping Zr 4+ were revealed. - Highlights: ► No positive contribution of the Zr 4+ ions on the scintillation efficiency was found. ► New optical absorption band was in the region from 200 to 225 nm. ► Continuously accelerated decay time indicated that Zr 4+ codoping induced new point defects. ► The induced hole trap located at 1.91 eV below the conduction band.

  3. Cloning, purification, crystallization and preliminary X-ray diffraction analysis of nitrile hydratase from the themophilic Bacillus smithii SC-J05-1

    International Nuclear Information System (INIS)

    Hourai, Shinji; Ishii, Takeshi; Miki, Misao; Takashima, Yoshiki; Mitsuda, Satoshi; Yanagi, Kazunori

    2005-01-01

    The nitrile hydratase from the themophilic B. smithii SC-J05-1 (Bs NHase) has been purified, cloned and crystallized. Nitrile hydratase (NHase) converts nitriles to the corresponding amides and is recognized as having important industrial applications. Purification, cloning, crystallization and initial crystallographic studies of the NHase from Bacillus smithii SC-J05-1 (Bs NHase) were conducted to analyze the activity, specificity and thermal stability of this hydrolytic enzyme. Bs NHase was purified to homogeneity from microbial cells of B. smithii SC-J05-1 and the nucleotide sequences of both the α- and β-subunits were determined. Purified Bs NHase was used for crystallization and several crystal forms were obtained by the vapour-diffusion method. Microseeding and the addition of magnesium ions were essential components to obtain crystals suitable for X-ray diffraction analysis

  4. Gallium Nitride Crystals: Novel Supercapacitor Electrode Materials.

    Science.gov (United States)

    Wang, Shouzhi; Zhang, Lei; Sun, Changlong; Shao, Yongliang; Wu, Yongzhong; Lv, Jiaxin; Hao, Xiaopeng

    2016-05-01

    A type of single-crystal gallium nitride mesoporous membrane is fabricated and its supercapacitor properties are demonstrated for the first time. The supercapacitors exhibit high-rate capability, stable cycling life at high rates, and ultrahigh power density. This study may expand the range of crystals as high-performance electrode materials in the field of energy storage. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Diode-pumped laser performance of Tm:Sc2SiO5 crystal at 1971 nm

    International Nuclear Information System (INIS)

    Liu Bin; Wang Qing-Guo; Tang Hui-Li; Wu Feng; Luo Ping; Zhao Heng-Yu; Shi Jiao-Jiao; He Nuo-Tian; Li Na; Li Qiu; Guo Chao; Wang Zhan-Shan; Xu Jun; Zheng Li-He; Su Liang-Bi; Liu Jun-Fang; Liu Jie; Fan Xiu-Wei; Xu Xiao-Dong

    2017-01-01

    The 4-at.% Tm:Sc 2 SiO 5 (Tm:SSO) crystal is successfully obtained by the Czochralski method. The optical properties and thermal conductivity of the crystal are investigated. The broad continuous wave (CW) laser output of (100)-cut Tm:SSO with the dimensions of 3 mm× 3 mm× 3 mm under laser diode (LD)-pumping is realized. The full width at half maximum (FWHM) of the laser emitting reaches up to 21 nm. The laser threshold of Tm:SSO is measured to be 0.43 W. Efficient diode-pumped CW laser performance of Tm:SSO is demonstrated with a slope efficiency of 25.9% and maximum output power of 934 mW. (paper)

  6. Photonic crystals, amorphous materials, and quasicrystals.

    Science.gov (United States)

    Edagawa, Keiichi

    2014-06-01

    Photonic crystals consist of artificial periodic structures of dielectrics, which have attracted much attention because of their wide range of potential applications in the field of optics. We may also fabricate artificial amorphous or quasicrystalline structures of dielectrics, i.e. photonic amorphous materials or photonic quasicrystals. So far, both theoretical and experimental studies have been conducted to reveal the characteristic features of their optical properties, as compared with those of conventional photonic crystals. In this article, we review these studies and discuss various aspects of photonic amorphous materials and photonic quasicrystals, including photonic band gap formation, light propagation properties, and characteristic photonic states.

  7. Crystallization kinetics of phase change materials

    Energy Technology Data Exchange (ETDEWEB)

    Klein, Michael; Sontheimer, Tobias; Wuttig, Matthias [I. Physikalisches Institut (1A), RWTH Aachen (Germany)

    2008-07-01

    Phase change materials are fascinating materials. They can be rapidly switched between two metastable states, the amorphous and crystalline phase, which show pronounced contrast in their optical and electrical properties. They are already widely used as the active layer in rewritable optical media and are expected to be used in the upcoming phase change random access memory (PRAM). Here we show measurements of the crystallization kinetics of chalcogenide materials that lead to a deeper understanding of these processes. This work focuses mainly on the Ge-Sb-Te system but also includes Ag-In-Te materials. The crystallization behaviour of these materials was investigated with an ex-situ annealing method employing the precise oven of a differential scanning calorimeter and imaging techniques employing atomic force microscopy and optical microscopy.

  8. Materials science: Crystals aligned through graphene

    Science.gov (United States)

    Lee, Minjoo Larry

    2017-04-01

    Graphene has been used as a 'transparent' layer that allows single crystals of a material to be grown on a substrate, and then lifted off -- in much the same way that baking paper lets cakes be removed easily from tins. See Letter p.340

  9. Protein Crystals as Novel Catalytic Materials.

    Science.gov (United States)

    Margolin, Alexey L.; Navia, Manuel A.

    2001-06-18

    In this era of molecular biology, protein crystallization is often considered to be a necessary first step in obtaining structural information through X-ray diffraction analysis. In a different light, protein crystals can also be thought of as materials, whose chemical and physical properties make them broadly attractive and useful across a larger spectrum of disciplines. The full potential of these protein crystalline materials has been severely restricted in practice, however, both by their inherent fragility, and by strongly held skepticism concerning their routine and predictable growth, formulation, and practical application. Fortunately, these problems have turned out to be solvable. A systematic exploration of the biophysics and biochemistry of protein crystallization has shown that one can dependably create new protein crystalline materials more or less at will. In turn, these crystals can be readily strengthened, both chemically and mechanically, to make them suitable for practical commercialization. Today, these novel materials are used as industrial catalysts on a commercial scale, in bioremediation and "green chemistry" applications, and in enantioselective chromatography of pharmaceuticals and fine chemicals. In the near future, their utility will expand, to include the purification of protein drugs, formulation of direct protein therapeutics, and development of adjuvant-less vaccines.

  10. Materials of construction for silicon crystal growth

    Science.gov (United States)

    Leipold, M. H.; Odonnell, T. P.; Hagan, M. A.

    1980-01-01

    The performance of materials for construction and in contact with molten silicon for crystal growth is presented. The basis for selection considers physical compatibility, such as thermal expansion and strength, as well as chemical compatibility as indicated by contamination of the silicon. A number of new high technology materials are included as well as data on those previously used. Emphasis is placed on the sources and processing of such materials in that results are frequently dependent on the way a material is prepared as well as its intrinsic constituents.

  11. Crystal fields in Sc, Y, and the heavy-rare-earth metals Tb, Dy, Ho, Er, Tm, and Lu

    International Nuclear Information System (INIS)

    Touborg, P.

    1977-01-01

    Experimental investigations of the magnetic poperties of dilute alloys of the rare-earth solutes Tb, Dy, Ho, Er, and Tm in the nonmagnetic hosts Lu, Y, and Sc have been performed. These measurements, which include and supplement earlier published results, have been analyzed and crystal-field parameters for all these 15 alloy systems deduced. The consistency of the parameters was confirmed by a variety of magnetic measurements, including neutron spectroscopy. Crystal-field parameters have also been derived for the ions in pure magnetic rare-earth metals and their alloys using the results for the dilute alloys supplemented with paramagnetic measurements up to high temperatures on the concentrated systems. Mean values and standard deviations of the higher-order crystal-field parameters for all Y and Lu alloys are B 40 /β = 6.8 +- 0.9 K, B 60 /γ = 13.6 +- 0.7 K, and B 66 /γ = (9.7 +- 1.1) B 60 /γ. These values: with the inaccuracies somewhat increased: are expected to be representative also for the magnetic rare-earth metals. For rare-earth ions in the Sc host the values B 40 /β = 9.9 +- 1.9 K, B 60 /γ = 19.8 +- 1.5 K, and B 66 /γ = (9.4 +- 0.9) B 60 /γ were deduced. B 20 /α is a host-sensitive parameter which has the average values of -102.7, -53.4, and 29.5 K for rare-earth ions in Y, Lu, and Sc, respectively. There is also evidence that this parameter varies with the solute. B 20 /α for ions in the pure magnetic rare-earth metals and their alloys shows a linear variation with c/a ratio characteristic of each ion. The results indicate a contribution from anisotropic exchange to the high-temperature paramagnetic anisotropy of approximately 20% for Tb, Dy, Ho, and Er, and approximately 10% for Tm

  12. Landau-Devonshire Parameters for the Tunable Paraelectric Material BaTi.9(Sc,Ta).05O3

    National Research Council Canada - National Science Library

    Miller, Virginia; Crowne, Frank

    2008-01-01

    ...).05O3 are used to deduce the thermodynamic Landau-Devonshire parameters of the material, which are found to differ strongly from those of the parent material BaTiO3, despite the small amount of added Sc and Ta...

  13. A materials informatics approach for crystal chemistry

    Science.gov (United States)

    Kong, Chang Sun

    This thesis addresses one of the fundamental questions in materials crystal chemistry, namely why do atoms arrange themselves in the way they do? The ability to broadly design and predict new phases [i.e. crystal structures] can be partly met using concepts that employ phase homologies. Homologous series of compounds are those that seem chemically diverse but can be expressed in terms of a mathematical formula that is capable of producing each chemical member in that crystal structure. A well-established strategy to help discover new compounds -- or at least to try to develop chemical design strategies for discovery -- is to search, organize and classify homologous compounds from known data. These classification schemes are developed with the hope that they can provide sufficient insight to help us forecast with some certainty, specific new phases or compounds. Yet, while the classification schemes (over a dozen have been reported in the last 50 years) have proved to be instructive, mostly in hindsight, but they have had limited impact, if at all, on the a priori design of materials chemistry. The aim of this research project is to develop a totally new approach to the study of chemical complexity in materials science using the tools of information theory and data science, which link diverse and high dimensional data derived from physical modeling and experiments. A very large scale binary AB2 crystallographic database is used as a data platform to develop a new data mining/informatics protocol based on high dimensional recursive partitioning schemes coupled to information theoretic measures to: (1) Identify which type of structure prototype is preferred over another for a given chemistry of compound; (2) discover new classification schemes of structure/chemistry/property relationships that classical homologies do not detect and finally we; (3) Extract and organize the underlying design rules for the formation of a given structure by quantitatively assessing the

  14. New indides Sc{sub 6}Co{sub 2.18}In{sub 0.82}, Sc{sub 10}Ni{sub 9}In{sub 19.44} and ScCu{sub 4}In-synthesis, structure, and crystal chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Zaremba, R.I.; Rodewald, U. Ch.; Poettgen, R. [Inst. fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Univ. Muenster (Germany); Kalychak, Y.M.; Zaremba, V.I. [Inorganic Chemistry Dept., Ivan Franko National Univ. of Lviv, Lviv (Ukraine)

    2006-08-15

    New indides Sc{sub 6}Co{sub 2.18}In{sub 0.82}, Sc{sub 10}Ni{sub 9}In{sub 19.44} and ScCu{sub 4}In have been synthesized from the elements by arc-melting. Single crystals were grown by special annealing modes. The thee indides were investigated via X-ray powder and single crystal diffraction: Ho{sub 6}Co{sub 2}Ga type, Immm, a = 886.7(3), b = 878.0(2), c = 932.1(3) pm, wR2 = 0.0517, 711 F{sup 2} values, 35 variables for Sc{sub 6}Co{sub 2.18}In{sub 0.82}, Ho{sub 10}Ni{sub 9}In{sub 20} type, P4/nmm, a = 1287.5(2), c = 884.7(1) pm, wR2 = 0.0642, 1221 F{sup 2} values, 63 variables for Sc{sub 10}Ni{sub 9}In{sub 19.44}, and MgCu{sub 4}Sn type, anti F 43m, a = 704.03(7) pm, wR2 = 0.0267, 101 F{sup 2} values, and 7 variables for ScCu{sub 4}In. The scandium rich indide Sc{sub 6}Co{sub 2.18}In{sub 0.82} contains two Co{sub 2} dumb-bells at Co-Co distances of 221 and 230 pm. Each cobalt atom within these dumb-bells has a tricapped trigonal prismatic coordination. The In1 site has a distorted cube-like coordination by scandium and shows a mixed occupancy (36%) with cobalt. The In2 atoms have distorted icosahedral scandium coordination. As a consequence of the small size of the scandium atoms, the In4 site in Sc{sub 10}Ni{sub 9}In{sub 19.44} shows defects and was furthermore refined with a split model leading to a new distorted variant within the family of Ho{sub 10}Ni{sub 9}In{sub 20} compounds. ScCu{sub 4}In is an ordered version of the cubic Laves phase with scandium and indium atoms in the CN16 voids of the copper substructure. The Cu-Cu distances within the three-dimensional network of corner-sharing tetrahedra are 248.6 and 249.2 pm. The crystal chemical peculiarities of these three indide structures are briefly discussed. (orig.)

  15. Novel fluorescence adjustable photonic crystal materials

    Science.gov (United States)

    Zhu, Cheng; Liu, Xiaoxia; Ni, Yaru; Fang, Jiaojiao; Fang, Liang; Lu, Chunhua; Xu, Zhongzi

    2017-11-01

    Novel photonic crystal materials (PCMs) with adjustable fluorescence were fabricated by distributing organic fluorescent powders of Yb0.2Er0.4Tm0.4(TTA)3Phen into the opal structures of self-assembled silica photonic crystals (PCs). Via removing the silica solution in a constant speed, PCs with controllable thicknesses and different periodic sizes were obtained on glass slides. Yb0.2Er0.4Tm0.4(TTA)3Phen powders were subsequently distributed into the opal structures. The structures and optical properties of the prepared PCMs were investigated. Finite-difference-time-domain (FDTD) calculation was used to further analyze the electric field distributions in PCs with different periodic sizes while the relation between periodic sizes and fluorescent spectra of PCMs was discussed. The results showed that the emission color of the PCMs under irradiation of 980 nm laser can be easily adjusted from green to blue by increasing the periodic size from 250 to 450 nm.

  16. Automating the application of smart materials for protein crystallization.

    Science.gov (United States)

    Khurshid, Sahir; Govada, Lata; El-Sharif, Hazim F; Reddy, Subrayal M; Chayen, Naomi E

    2015-03-01

    The fabrication and validation of the first semi-liquid nonprotein nucleating agent to be administered automatically to crystallization trials is reported. This research builds upon prior demonstration of the suitability of molecularly imprinted polymers (MIPs; known as `smart materials') for inducing protein crystal growth. Modified MIPs of altered texture suitable for high-throughput trials are demonstrated to improve crystal quality and to increase the probability of success when screening for suitable crystallization conditions. The application of these materials is simple, time-efficient and will provide a potent tool for structural biologists embarking on crystallization trials.

  17. Lanthanide-doped Na xScF 3+ x nanocrystals: Crystal structure evolution and multicolor tuning

    KAUST Repository

    Teng, Xue; Zhu, Yihan; Wei, Wei; Wang, Shuchao; Huang, Jingfeng; Naccache, Rafik; Hu, Wenbo; Tok, Alfred Iing Yoong; Han, Yu; Zhang, Qichun; Fan, Quli; Huang, Wei; Capobianco, John A.; Huang, Ling

    2012-01-01

    Rare-earth-based nanomaterials have recently drawn considerable attention because of their unique energy upconversion (UC) capabilities. However, studies of Sc 3+-based nanomaterials are still absent. Herein we report the synthesis and fine control

  18. Lanthanide-doped Na xScF 3+ x nanocrystals: Crystal structure evolution and multicolor tuning

    KAUST Repository

    Teng, Xue

    2012-05-23

    Rare-earth-based nanomaterials have recently drawn considerable attention because of their unique energy upconversion (UC) capabilities. However, studies of Sc 3+-based nanomaterials are still absent. Herein we report the synthesis and fine control of Na xScF 3+x nanocrystals by tuning of the ratio of oleic acid (OA, polar surfactant) to 1-octadecene (OD, nonpolar solvent). When the OA:OD ratio was increased from low (3:17) to high (3:7), the nanocrystals changed from pure monoclinic phase (Na 3ScF 6) to pure hexagonal phase (NaScF 4) via a transition stage at an intermediate OA:OD ratio (3:9) where a mixture of nanocrystals in monoclinic and hexagonal phases was obtained and the coexistence of the two phases inside individual nanocrystals was also observed. More significantly, because of the small radius of Sc 3+, Na xScF 3+x:Yb/Er nanocrystals show different UC emission from that of NaYF 4:Yb/Er nanocrystals, which broadens the applications of rare-earth-based nanomaterials ranging from optical communications to disease diagnosis. © 2012 American Chemical Society.

  19. Charleston Harbor, SC, Regional Sediment Management Study: Beneficial Use of Dredged Material through Nearshore Placement

    Science.gov (United States)

    2017-05-01

    Modeling System (CMS) that were developed and applied previously for the Charleston Harbor numerical modeling study (Kashlan 2013) were used in...Particle Tracking Model; Report 1: Model theory, implementation, and example applications. ERDC/CHL TR-6-20. Vicksburg, MS: U.S. Army Engineer Research ...ER D C/ CH L TR -1 7- 7 Regional Sediment Management (RSM) Program Charleston Harbor, SC, Regional Sediment Management Study

  20. Charleston Harbor, SC, Regional Sediment Management Study; Beneficial Use of Dredged Material through Nearshore Placement

    Science.gov (United States)

    2017-05-01

    Modeling System (CMS) that were developed and applied previously for the Charleston Harbor numerical modeling study (Kashlan 2013) were used in...Particle Tracking Model; Report 1: Model theory, implementation, and example applications. ERDC/CHL TR-6-20. Vicksburg, MS: U.S. Army Engineer Research ...ER D C/ CH L TR -1 7- 7 Regional Sediment Management (RSM) Program Charleston Harbor, SC, Regional Sediment Management Study

  1. Solar cell structure incorporating a novel single crystal silicon material

    Science.gov (United States)

    Pankove, Jacques I.; Wu, Chung P.

    1983-01-01

    A novel hydrogen rich single crystal silicon material having a band gap energy greater than 1.1 eV can be fabricated by forming an amorphous region of graded crystallinity in a body of single crystalline silicon and thereafter contacting the region with atomic hydrogen followed by pulsed laser annealing at a sufficient power and for a sufficient duration to recrystallize the region into single crystal silicon without out-gassing the hydrogen. The new material can be used to fabricate semiconductor devices such as single crystal silicon solar cells with surface window regions having a greater band gap energy than that of single crystal silicon without hydrogen.

  2. Automating the application of smart materials for protein crystallization

    International Nuclear Information System (INIS)

    Khurshid, Sahir; Govada, Lata; EL-Sharif, Hazim F.; Reddy, Subrayal M.; Chayen, Naomi E.

    2015-01-01

    The first semi-liquid, non-protein nucleating agent for automated protein crystallization trials is described. This ‘smart material’ is demonstrated to induce crystal growth and will provide a simple, cost-effective tool for scientists in academia and industry. The fabrication and validation of the first semi-liquid nonprotein nucleating agent to be administered automatically to crystallization trials is reported. This research builds upon prior demonstration of the suitability of molecularly imprinted polymers (MIPs; known as ‘smart materials’) for inducing protein crystal growth. Modified MIPs of altered texture suitable for high-throughput trials are demonstrated to improve crystal quality and to increase the probability of success when screening for suitable crystallization conditions. The application of these materials is simple, time-efficient and will provide a potent tool for structural biologists embarking on crystallization trials

  3. Single-crystal growth of ceria-based materials

    International Nuclear Information System (INIS)

    Ulbrich, Gregor

    2015-01-01

    In this work it could be shown that Skull-Melting is a suitable method for growing ceria single crystals. Twenty different ceria-based single crystals could be manufactured. It was possible to dope ceria single crystals with Gd, Sm, Y, Zr, Ti, Ta, and Pr in different concentrations. Also co-doping with the named metals was realized. However, there remain some problems for growing ceria-based single crystals by Skull-Melting. As ignition metal zirconium was used because no ceria-based material works well. For that reason all single crystals show small zirconium contamination. Another problem is the formation of oxygen by the heat-induced reduction of ceria during the melting process. Because of that the skull of sintered material is often destroyed by gas pressure. This problem had to be solved individually for every single crystal. The obtained single crystals were characterized using different methods. To ensure the single crystal character the y were examined by Laue diffraction. All manufactured crystals are single crystals. Also powder diffraction patterns of the milled and oxidized samples were measured. For the determination of symmetry and metric the structural parameters were analyzed by the Rietveld method. All synthesized materials crystallize in space group Fm-3m known from calcium fluoride. The cubic lattice parameter a was determined for all crystals. In the case of series with different cerium and zirconium concentrations a linear correlation between cerium content and cubic lattice parameter was detected. The elemental composition was determined by WDX. All crystals show a homogeneous elemental distribution. The oxygen content was calculated because the WDX method isn't useful for determination.

  4. α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8: new quaternary mixed metal oxides composed of only second-order Jahn-Teller distortive cations.

    Science.gov (United States)

    Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min

    2013-10-07

    Three new quaternary scandium vanadium selenium/tellurium oxides, α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8 have been synthesized through hydrothermal and standard solid-state reactions. Although all three reported materials are stoichiometrically similar, they exhibit different crystal structures: α-ScVSe2O8 has a three-dimensional framework structure consisting of ScO6, VO6, and SeO3 groups. β-ScVSe2O8 reveals another three-dimensional framework composed of ScO7, VO5, and SeO3 polyhedra. ScVTe2O8 shows a layered structure with ScO6, VO4, and TeO4 polyhedra. Interestingly, the constituent cations, that is, Sc(3+), V(5+), Se(4+), and Te(4+) are all in a distorted coordination environment attributable to second-order Jahn-Teller (SOJT) effects. Complete characterizations including infrared spectroscopy, elemental analyses, thermal analyses, dipole moment calculation, and the magnitudes of out-of-center distortions for the compounds are reported. Transformation reactions suggest that α-ScVSe2O8 may change to β-ScVSe2O8, and then to Sc2(SeO3)3·H2O under hydrothermal conditions.

  5. Negative thermal expansion and broad band photoluminescence in a novel material of ZrScMo2VO12.

    Science.gov (United States)

    Ge, Xianghong; Mao, Yanchao; Liu, Xiansheng; Cheng, Yongguang; Yuan, Baohe; Chao, Mingju; Liang, Erjun

    2016-04-21

    In this paper, we present a novel material with the formula of ZrScMo2VO12 for the first time. It was demonstrated that this material exhibits not only excellent negative thermal expansion (NTE) property over a wide temperature range (at least from 150 to 823 K), but also very intense photoluminescence covering the entire visible region. Structure analysis shows that ZrScMo2VO12 has an orthorhombic structure with the space group Pbcn (No. 60) at room temperature. A phase transition from monoclinic to orthorhombic structure between 70 and 90 K is also revealed. The intense white light emission is tentatively attributed to the n- and p-type like co-doping effect which creates not only the donor- and acceptor-like states in the band gap, but also donor-acceptor pairs and even bound exciton complexes. The excellent NTE property integrated with the intense white-light emission implies a potential application of this material in light emitting diode and other photoelectric devices.

  6. Crystallic silver amalgam – a novel electrode material

    Czech Academy of Sciences Publication Activity Database

    Daňhel, A.; Mansfeldová, Věra; Janda, Pavel; Vyskočil, V.; Barek, J.

    2011-01-01

    Roč. 136, č. 118 (2011), s. 36563662 ISSN 0003-2654 Institutional research plan: CEZ:AV0Z40400503 Keywords : crystallic silver amalgam * electrode materials * electrochemistry Subject RIV: CG - Electrochemistry Impact factor: 4.230, year: 2011

  7. Transmission electron microscope studies of phase transitions in single crystals and ceramics of ferroelectric Pb(Sc1/2Ta1/2)O3

    International Nuclear Information System (INIS)

    Baba-Kishi, K.Z.; Barber, D.J.

    1990-01-01

    An account is given of transmission electron microscope investigations of the phase transitions in single crystals and ceramics of the complex perovskite-structured ferroelectric 'relaxor' compound Pb(Sc 1/2 Ta 1/2 )O 3 . The crystal symmetries pertaining to both the non-polar paraelectric (PE) and polar ferroelectric (FE) states have been studied by the technique of convergent-beam electron diffraction. A new phase transition has been discovered in the temperature range for which the FE and PE states coexist. The new phase transition is interpreted as the creation of a modulated antiferroelectric state, and this is viewed as marking a departure from relaxor behaviour towards more 'normal' ferroelectric behaviour. (orig.)

  8. Ternary scandium-rich indides Sc{sub 50}T{sub 13}In{sub 3} and Sc{sub 50}Rh{sub 13}In{sub 3}O{sub y} (T = Rh, Ir; y {approx} 8) - synthesis and crystal structure

    Energy Technology Data Exchange (ETDEWEB)

    Zaremba, R.; Poettgen, R. [Inst. fuer Anorganische und Analytische Chemie, Univ. Muenster (Germany)

    2007-12-15

    New intermetallic compounds Sc{sub 50}Rh{sub 13.3}In{sub 2.7} and Sc{sub 50}Ir{sub 13.6}In{sub 2.4} and the suboxides Sc{sub 49.2}Rh{sub 13}In{sub 3.8}O{sub 8.8} and Sc{sub 49.2}Rh{sub 13.7}In{sub 2.8}O{sub 8.0} were synthesized from the elements or with Sc{sub 2}O{sub 3} as an oxygen source, respectively, in sealed tantalum tubes in a water-cooled sample chamber of an induction furnace. They crystallize with a new cubic structure type, space group F m anti 3, a = 1772.5(6) pm, wR2 = 0.032, 1111 F{sup 2} values, 34 variables for Sc{sub 50}Rh{sub 13.3}In{sub 2.7}, a = 1766.5(6) pm, wR2 = 0.041, 745 F{sup 2} values, 34 variables for Sc{sub 50}Ir{sub 13.6}In{sub 2.4}, a = 1764.4(2) pm, wR2 = 0.044, 640 F{sup 2} values, 41 variables for Sc{sub 49.2}Rh{sub 13}In{sub 3.8}O{sub 8.8}, and a = 1761.5(6) pm, wR2 = 0.054, 740 F{sup 2} values, 42 variables for Sc{sub 49.2}Rh{sub 13.7}In{sub 2.8}O{sub 8.0}. The main structural motifs are rhodium-centered indium cubes in an fcc like arrangement in which the octahedral and tetrahedral voids are filled by In2Sc{sub 12} and In1Sc{sub 12} icosahedra, respectively, resembling a Li{sub 3}Bi-like structure. The Rh1 (Ir1) and Sc4 atoms lie between these polyhedral units. The oxygen atoms partially fill Sc{sub 6} octahedra in Sc{sub 49.2}Rh{sub 13}In{sub 3.8}O{sub 8.8} and Sc{sub 49.2}Rh{sub 13.7}In{sub 2.8}O{sub 8.0} with Sc-O distances of 214 - 230 pm. These octahedra are condensed via common edges and faces, encapsulating the In2Sc{sub 12} icosahedra. Due to the high scandium content one observes strong Sc-Sc bonding with Sc-Sc distances ranging from 303 to 362 pm in Sc{sub 49.2}Rh{sub 13}In{sub 3.8}O{sub 8.8}. The shortest distances occur for Sc-Rh (267 - 295 pm). The crystal chemical relationship with the Li{sub 3}Bi-related suboxide Ti{sub 12}Sn{sub 3}O{sub 10} is discussed. (orig.)

  9. Texture Development and Material Flow Behavior During Refill Friction Stir Spot Welding of AlMgSc

    Science.gov (United States)

    Shen, Junjun; Lage, Sara B. M.; Suhuddin, Uceu F. H.; Bolfarini, Claudemiro; dos Santos, Jorge F.

    2018-01-01

    The microstructural evolution during refill friction stir spot welding of an AlMgSc alloy was studied. The primary texture that developed in all regions, with the exception of the weld center, was determined to be 〈110〉 fibers and interpreted as a simple shear texture with the 〈110〉 direction aligned with the shear direction. The material flow is mainly driven by two components: the simple shear acting on the horizontal plane causing an inward-directed spiral flow and the extrusion acting on the vertical plane causing an upward-directed or downward-directed flow. Under such a complex material flow, the weld center, which is subjected to minimal local strain, is the least recrystallized. In addition to the geometric effects of strain and grain subdivision, thermally activated high-angle grain boundary migration, particularly continuous dynamic recrystallization, drives the formation of refined grains in the stirred zone.

  10. Heterogeneous Monolithic Integration of Single-Crystal Organic Materials.

    Science.gov (United States)

    Park, Kyung Sun; Baek, Jangmi; Park, Yoonkyung; Lee, Lynn; Hyon, Jinho; Koo Lee, Yong-Eun; Shrestha, Nabeen K; Kang, Youngjong; Sung, Myung Mo

    2017-02-01

    Manufacturing high-performance organic electronic circuits requires the effective heterogeneous integration of different nanoscale organic materials with uniform morphology and high crystallinity in a desired arrangement. In particular, the development of high-performance organic electronic and optoelectronic devices relies on high-quality single crystals that show optimal intrinsic charge-transport properties and electrical performance. Moreover, the heterogeneous integration of organic materials on a single substrate in a monolithic way is highly demanded for the production of fundamental organic electronic components as well as complex integrated circuits. Many of the various methods that have been designed to pattern multiple heterogeneous organic materials on a substrate and the heterogeneous integration of organic single crystals with their crystal growth are described here. Critical issues that have been encountered in the development of high-performance organic integrated electronics are also addressed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Crystallic silver amalgam--a novel electrode material.

    Science.gov (United States)

    Danhel, Ales; Mansfeldova, Vera; Janda, Pavel; Vyskocil, Vlastimil; Barek, Jiri

    2011-09-21

    A crystallic silver amalgam was found to be a suitable working electrode material for voltammetric determination of electrochemically reducible organic nitro-compounds. Optimum conditions for crystal growth were found, the crystal surface was investigated by atomic force microscopy in tapping mode and single crystals were used for the preparation of quasi-cylindrical single crystal silver amalgam electrode (CAgAE). An electrochemical behavior of this alternative electrode material was investigated in aqueous media by direct current voltammetry, cyclic voltammetry (CV), differential pulse voltammetry (DPV) and adsorptive stripping voltammetry (AdSV) using 4-nitrophenol as a model compound. Applicable potential windows of the CAgAE were found comparable with those obtained at a hanging mercury drop electrode, providing high hydrogen overpotential, and polished silver solid amalgam electrode. Thanks to the smooth single crystal electrode surface, the effect of the passivation is not too pronounced, direct DPV determination of 100 μmol l(-1) of 4-nitrophenol at CAgAEs in 0.2 mol l(-1) acetate buffer pH 4.8 provides a RSD around 1.5% (n = 15). DPV calibration curves of 4-nitrophenol are linear in the whole concentration range 1-100 μmol l(-1) with a limit of quantification of 1.5 μmol l(-1). The attempt to increase sensitivity by application of AdSV was not successful. The mechanism of 4-nitrophenol reduction at CAgAE was investigated by CV.

  12. Hydrogen bonded columnar liquid crystals for nanostructured functional materials

    NARCIS (Netherlands)

    Fitié, C.F.C.

    2010-01-01

    Many functional materials rely on a well-organized internal structure for their functional properties. The length scale of this organization can vary from the atomic level (e.g., piezoelectric crystals) to a macroscopic length scale exceeding the dimensions of individual molecules (e.g., porous

  13. Room-temperature picosecond high-order stimulated Raman scattering in laser garnet crystal hosts Gd3Ga5O12, Gd3Sc2Ga3O12, and Ca3(Nb,Ga)2Ga3O12

    International Nuclear Information System (INIS)

    Kaminskii, Alexandr A; Eichler, H J; Findeisen, J; Ueda, Ken-ichi; Fernandez, J; Balda, R

    1998-01-01

    High-order Stokes and anti-Stokes generation in the visible and near-infrared in cubic laser crystal hosts Gd 3 Ga 5 O 12 , Gd 3 Sc 2 Ga 3 O 12 , and Ca 3 (Nb,Ga) 2 Ga 3 O 12 was observed for the first time. All scattering-laser components were identified and attributed to the SRS-active vibration modes of these garnet crystals. (letters to the editor)

  14. Liquid crystals: high technology materials for potential applications

    International Nuclear Information System (INIS)

    Saeed, M.A.; Badaruddin; Rizvi, T.Z.

    1993-01-01

    Liquid crystals have very rapidly emerged as a basis of many high technology fields within the last few decades. These materials because of their intriguing physical properties are regarded as the fourth state of matter. At present the applications of liquid crystals are established in digital display devices, electro-optical switches, optical computing, acousto-optics, thermo-indicators, laser thermo-recording, photo-chemical image recording and optical communication networks. More recently due to the concept of molecularly based electronics (MBE): the logical extreme for miniaturization of electronic device, liquid crystals are foreseen to play a vital role in the future optics based technologies. This paper gives a brief introduction to liquid crystals, the types of meso phases found in these materials together with their applications in research and industry. Some technical details of the construction liquid crystal cells for some typical applications in digital displays and other electro optical devices have also been discussed with special emphasis on relevant physical processes occurring at molecular level. (author)

  15. Phononic crystals with one-dimensional defect as sensor materials

    Science.gov (United States)

    Aly, Arafa H.; Mehaney, Ahmed

    2017-09-01

    Recently, sensor technology has attracted great attention in many fields due to its importance in many engineering applications. In the present work, we introduce a study using the innovative properties of phononic crystals in enhancing a new type of sensors based on the intensity of transmitted frequencies inside the phononic band gaps. Based on the transfer matrix method and Bloch theory, the expressions of the reflection coefficient and dispersion relation are presented. Firstly, the influences of filling fraction ratio and the angle of incidence on the band gap width are discussed. Secondly, the localization of waves inside band gaps is discussed by enhancing the properties of the defected phononic crystal. Compared to the periodic structure, localization modes involved within the band structure of phononic crystals with one and two defect layers are presented and compared. Trapped localized modes can be detected easily and provide more information about defected structures. Such method could increase the knowledge of manufacturing defects by measuring the intensity of propagated waves in the resonant cavities and waveguides. Moreover, several factors enhance the role of the defect layer on the transmission properties of defected phononic crystals are presented. The acoustic band gap can be used to detect or sense the type of liquids filling the defect layer. The liquids make specific resonant modes through the phononic band gaps that related to the properties of each liquid. The frequency where the maximum resonant modes occur is correlated to material properties and allows to determine several parameters such as the type of an unknown material.

  16. Investigation of the Thermal Stability of Nd(x)Sc(y)Zr(1-x-y)O(2-δ) Materials Proposed for Inert Matrix Fuel Applications.

    Science.gov (United States)

    Hayes, John R; Grosvenor, Andrew P; Saoudi, Mouna

    2016-02-01

    Inert matrix fuels (IMF) consist of transuranic elements (i.e., Pu, Am, Np, Cm) embedded in a neutron transparent (inert) matrix and can be used to "burn up" (transmute) these elements in current or Generation IV nuclear reactors. Yttria-stabilized zirconia has been extensively studied for IMF applications, but the low thermal conductivity of this material limits its usefulness. Other elements can be used to stabilize the cubic zirconia structure, and the thermal conductivity of the fuel can be increased through the use of a lighter stabilizing element. To this end, a series of Nd(x)Sc(y)Zr(1-x-y)O(2-δ) materials has been synthesized via a co-precipitation reaction and characterized by multiple techniques (Nd was used as a surrogate for Am). The long-range and local structures of these materials were studied using powder X-ray diffraction, scanning electron microscopy, and X-ray absorption spectroscopy. Additionally, the stability of these materials over a range of temperatures has been studied by annealing the materials at 1100 and 1400 °C. It was shown that the Nd(x)Sc(y)Zr(1-x-y)O(2-δ) materials maintained a single cubic phase upon annealing at high temperatures only when both Nd and Sc were present with y ≥ 0.10 and x + y > 0.15.

  17. Energetic materials: crystallization, characterization and insensitive plastic bonded explosives

    Energy Technology Data Exchange (ETDEWEB)

    Heijden, Antoine E.D.M. van der; Creyghton, Yves L.M.; Marino, Emanuela; Bouma, Richard H.B.; Scholtes, Gert J.H.G.; Duvalois, Willem [TNO Defence, Security and Safety, P. O. Box 45, 2280 AA Rijswijk (Netherlands); Roelands, Marc C.P.M. [TNO Science and Industry, P. O. Box 342, 7300 AH Apeldoorn (Netherlands)

    2008-02-15

    The product quality of energetic materials is predominantly determined by the crystallization process applied to produce these materials. It has been demonstrated in the past that the higher the product quality of the solid energetic ingredients, the less sensitive a plastic bonded explosive containing these energetic materials becomes. The application of submicron or nanometric energetic materials is generally considered to further decrease the sensitiveness of explosives. In order to assess the product quality of energetic materials, a range of analytical techniques is available. Recent attempts within the Reduced-sensitivity RDX Round Robin (R4) have provided the EM community a better insight into these analytical techniques and in some cases a correlation between product quality and shock initiation of plastic bonded explosives containing (RS-)RDX was identified, which would provide a possibility to discriminate between conventional and reduced sensitivity grades. (Abstract Copyright [2008], Wiley Periodicals, Inc.)

  18. Crystal Growth and Other Materials Physical Researches in Space Environment

    Science.gov (United States)

    Pan, Mingxiang

    Material science researches in space environment are based on reducing the effects of buoyancy driven transport, the effects of atomic oxygen, radiation, extremes of heat and cold and the ultrahigh vacuum, so as to unveil the underlying fundamental phenomena, lead maybe to new potential materials or new industrial processes and develop space techniques. Currently, research program on materials sciences in Chinese Manned Space Engineering (CMSE) is going on. More than ten projects related to crystal growth and materials processes are selected as candidates to be executed in Shenzhou spacecraft, Tiangong Space Laboratory and Chinese Space Station. In this talk, we will present some examples of the projects, which are being prepared and executed in the near future flight tasks. They are both basic and applied research, from discovery to technology.

  19. Photonic crystal materials and their application in biomedicine.

    Science.gov (United States)

    Chen, Huadong; Lou, Rong; Chen, Yanxiao; Chen, Lili; Lu, Jingya; Dong, Qianqian

    2017-11-01

    Photonic crystal (PC) materials exhibit unique structural colors that originate from their intrinsic photonic band gap. Because of their highly ordered structure and distinct optical characteristics, PC-based biomaterials have advantages in the multiplex detection, biomolecular screening and real-time monitoring of biomolecules. In addition, PCs provide good platforms for drug loading and biomolecule modification, which could be applied to biosensors and biological carriers. A number of methods are now available to fabricate PC materials with variable structure colors, which could be applied in biomedicine. Emphasis is given to the description of various applications of PC materials in biomedicine, including drug delivery, biodetection and tumor screening. We believe that this article will promote greater communication among researchers in the fields of chemistry, material science, biology, medicine and pharmacy.

  20. Growth of crystalline semiconductor materials on crystal surfaces

    CERN Document Server

    Aleksandrov, L

    2013-01-01

    Written for physicists, chemists, and engineers specialising in crystal and film growth, semiconductor electronics, and various applications of thin films, this book reviews promising scientific and engineering trends in thin films and thin-films materials science. The first part discusses the physical characteristics of the processes occurring during the deposition and growth of films, the principal methods of obtaining semiconductor films and of reparing substrate surfaces on which crystalline films are grown, and the main applications of films. The second part contains data on epitaxial i

  1. Band Gap Optimization Design of Photonic Crystals Material

    Science.gov (United States)

    Yu, Y.; Yu, B.; Gao, X.

    2017-12-01

    The photonic crystal has a fundamental characteristic - photonic band gap, which can prevent light to spread in the crystals. This paper studies the width variation of band gaps of two-dimension square lattice photonic crystals by changing the geometrical shape of the unit cells’ inner medium column. Using the finite element method, we conduct numerical experiments on MATLAB 2012a and COMSOL 3.5. By shortening the radius in vertical axis and rotating the medium column, we design a new unit cell, with a 0.3*3.85e-7 vertical radius and a 15 degree deviation to the horizontal axis. The new cell has a gap 1.51 percent wider than the circle medium structure in TE gap and creates a 0.0124 wide TM gap. Besides, the experiment shows the first TM gap is partially overlapped by the second TE gap in gap pictures. This is helpful to format the absolute photonic band gaps and provides favorable theoretical basis for designing photonic communication material.

  2. La/Yb and Th/Sc in settling particles: vertical and horizontal transport of lithogenic material in the western North Pacific

    International Nuclear Information System (INIS)

    Otosaka, Shigeyoshi; Noriki, Shinichiro; Honda, Makio C.

    2004-01-01

    In order to understand the origins and transport processes of lithogenic aluminosilicate in the western North Pacific, time-series traps were deployed at Stn. KNOT at 44degN 155degE (water depth: 5320 m). Annual mean content of aluminum (Al) which is a proxy of lithogenic material in settling particles was 0.38% at 1 km depth, 0.78% at 3 km depth and 1.14% at 5 km depth, respectively. Mass fluxes were corrected by 230 Th and 231 Pa activities in particles and seawater. Annual mean corrected Al fluxes at 1, 3 and 5 km depths were calculated to 0.45, 0.46 and 0.33 g/m 2 /year, respectively. Lanthanum/ytterbium (La/Yb) and thorium/scandium (Th/Sc) ratios were used as proxies for estimating the origin of lithogenic aluminosilicate in settling particles. Both La/Yb and Th/Sc ratios in settling particles increased with depth, and the seasonal variation was the smallest at 5 km depth. It was considered that variations of La/Yb and Th/Sc ratios in settling particles reflected the change of source material of lithogenic aluminosilicates. Origins of lithogenic materials in the settling particles were summarized using two end-members, loess from central Asian continent (AL) and basalts from the Kurile-Kamchatka Islands (KEK). Contributions of end-members in settling particles were estimated from the La/Yb and Th/Sc ratios. The contribution of KK particles in lithogenic materials was calculated to be 84% at 1 km depth, and 61% at 3 and 5 km depths, respectively. Although the KK material was the dominant constituent of the terrigenous component in settling particles at Stn. KNOT, the KK flux decreased with depth. On the other hand, the AL flux increased with depth and the significant increase of the AL flux was presumably due to the lateral import of AL particles to the deep layer at Stn. KNOT. From these results we conclude that the distribution of lithogenic materials recorded in sediments in the western North Pacific are influenced by the northward transport of AL within the

  3. Polymer dispersed liquid crystals. Pt.1 Concept, Preparation and Materials

    International Nuclear Information System (INIS)

    Hakemi, H. A.; Santangelo, M.

    1998-01-01

    It is more than a decade since Polymer Dispersed Liquid Crystal (PDLC) film technology became the subject of a world-wide scientific and industrial research and development for commercial applications as large-area reflective displays and electrooptical windows, for privacy, security and light transmission control. In view of current interest and intensive fundamental and industrial research on PDLC, the authors attempt to provide a review of the state-of-art of this technology, from concept to its industrial production, in a series of articles. In the present introductory part, the authors discuss the basic concept, the principle of operation, the materials and the preparation techniques of a PDLC device by phase separation method [it

  4. Sc-W-Si and Sc-W-Ge ternary systems

    International Nuclear Information System (INIS)

    Kotur, B.Ya.; Voznyak, O.M.; Bodak, O.I.

    1989-01-01

    Phase equilibria in Sc-W-Si and Sc-W-Ge ternary systems are investigated at 1070 K. Sc 2+x W 3-x Si 4 ternary compound (0≤x≤1) is determined, its crystal structure (Ce 2 Sc 3 Si 4 structural type), as well as, change of elementary cell parameters and microhardness within homogeneity range are determined. Regularities of component interaction within Sc-M-Si(Ge) (M-Cr, Mo, W) ternary system are determined. Ternary systems with Mo and W are more closer to each other according to the phase equilibria character, than to ternary systems with Cr

  5. First-principles study of crystal structure, elastic stiffness constants, piezoelectric constants, and spontaneous polarization of orthorhombic Pna21-M2O3 (M = Al, Ga, In, Sc, Y)

    Science.gov (United States)

    Shimada, Kazuhiro

    2018-03-01

    We perform first-principles calculations to investigate the crystal structure, elastic and piezoelectric properties, and spontaneous polarization of orthorhombic M2O3 (M = Al, Ga, In, Sc, Y) with Pna21 space group based on density functional theory. The lattice parameters, full elastic stiffness constants, piezoelectric stress and strain constants, and spontaneous polarization are successfully predicted. Comparison with available experimental and computational results indicates the validity of our computational results. Detailed analysis of the results clarifies the difference in the bonding character and the origin of the strong piezoelectric response and large spontaneous polarization.

  6. Abstracts of 12. Conference on Solid State Crystals Materials Science and Applications

    International Nuclear Information System (INIS)

    1996-01-01

    The solid state crystals are the modern materials being very interesting from the view point of actual and possible applications in microelectronics, optics, laser materials, detectors etc. 12. Conference on Solid State Crystals, Materials Science and Applications, Zakopane'99 created the review forum for broad range of investigations on topics related to; crystal growth and doping, new materials preparation, thin layer structure, physical properties and special methods for electrical, magnetic, optical and mechanical properties measurements of obtained materials. The insulating, semiconducting and superconducting monocrystals, polycrystals and also amorphous glasses have been investigated and their possible applications discussed. 52 oral lectures and 128 posters have been presented in the course of the conference

  7. Graphene as a protein crystal mounting material to reduce background scatter.

    Science.gov (United States)

    Wierman, Jennifer L; Alden, Jonathan S; Kim, Chae Un; McEuen, Paul L; Gruner, Sol M

    2013-10-01

    The overall signal-to-noise ratio per unit dose for X-ray diffraction data from protein crystals can be improved by reducing the mass and density of all material surrounding the crystals. This article demonstrates a path towards the practical ultimate in background reduction by use of atomically thin graphene sheets as a crystal mounting platform for protein crystals. The results show the potential for graphene in protein crystallography and other cases where X-ray scatter from the mounting material must be reduced and specimen dehydration prevented, such as in coherent X-ray diffraction imaging of microscopic objects.

  8. Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties

    Science.gov (United States)

    Xie, Tian; Grossman, Jeffrey C.

    2018-04-01

    The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either constrains the model to certain crystal types or makes it difficult to provide chemical insights. Here, we develop a crystal graph convolutional neural networks framework to directly learn material properties from the connection of atoms in the crystal, providing a universal and interpretable representation of crystalline materials. Our method provides a highly accurate prediction of density functional theory calculated properties for eight different properties of crystals with various structure types and compositions after being trained with 1 04 data points. Further, our framework is interpretable because one can extract the contributions from local chemical environments to global properties. Using an example of perovskites, we show how this information can be utilized to discover empirical rules for materials design.

  9. Growth of rare-earth doped single crystal yttrium aluminum garnet fibers

    Science.gov (United States)

    Bera, Subhabrata; Nie, Craig D.; Harrington, James A.; Cheng, Long; Rand, Stephen C.; Li, Yuan; Johnson, Eric G.

    2018-02-01

    Rare-earth doped single crystal (SC) yttrium aluminum garnet (YAG) fibers have great potential as high-power laser gain media. SC fibers combine the superior material properties of crystals with the advantages of a fiber geometry. Improving processing techniques, growth of low-loss YAG SC fibers have been reported. A low-cost technique that allows for the growth of optical quality Ho:YAG single crystal (SC) fibers with different dopant concentrations have been developed and discussed. This technique is a low-cost sol-gel based method which offers greater flexibility in terms of dopant concentration. Self-segregation of Nd ions in YAG SC fibers have been observed. Such a phenomenon can be utilized to fabricate monolithic SC fibers with graded index.

  10. Tunable multichannel filter in photonic crystal heterostructure containing permeability-negative materials

    International Nuclear Information System (INIS)

    Hu Xiaoyong; Liu Zheng; Gong Qihuang

    2008-01-01

    A tunable multichannel filter is demonstrated theoretically based on a one-dimensional photonic crystal heterostructure containing permeability-negative material. The filtering properties of the photonic crystal filter, including the channel number and frequency, can be tuned by adjusting the structure parameters or by a pump laser. The angular response of the photonic crystal filter and the influences of the losses on the filtering properties are also analyzed

  11. Tunable multichannel filter in photonic crystal heterostructure containing permeability-negative materials

    Energy Technology Data Exchange (ETDEWEB)

    Hu Xiaoyong [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China)], E-mail: xiaoyonghu@pku.edu.cn; Liu Zheng [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China); Gong Qihuang [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China)], E-mail: qhgong@pku.edu.cn

    2008-01-14

    A tunable multichannel filter is demonstrated theoretically based on a one-dimensional photonic crystal heterostructure containing permeability-negative material. The filtering properties of the photonic crystal filter, including the channel number and frequency, can be tuned by adjusting the structure parameters or by a pump laser. The angular response of the photonic crystal filter and the influences of the losses on the filtering properties are also analyzed.

  12. Chiral-nematic liquid crystals as one dimensional photonic materials in optical sensors

    NARCIS (Netherlands)

    Mulder, D.J.; Schenning, A.P.H.J.; Bastiaansen, C.W.M.

    2014-01-01

    Current developments in the field of thermotropic chiral-nematic liquid crystals as sensors are discussed. These one dimensional photonic materials are based on low molecular weight liquid crystals and chiral-nematic polymeric networks. For both low molecular weight LCs and polymer networks,

  13. Crystal morphology variation in inkjet-printed organic materials

    Science.gov (United States)

    Ihnen, Andrew C.; Petrock, Anne M.; Chou, Tsengming; Samuels, Phillip J.; Fuchs, Brian E.; Lee, Woo Y.

    2011-11-01

    The recent commercialization of piezoelectric-based drop-on-demand inkjet printers provides an additive processing platform for producing and micropatterning organic crystal structures. We report an inkjet printing approach where macro- and nano-scale energetic composites composed of cyclotrimethylenetrinitramine (RDX) crystals dispersed in a cellulose acetate butyrate (CAB) matrix are produced by direct phase transformation from organic solvent-based all-liquid inks. The characterization of printed composites illustrates distinct morphological changes dependent on ink deposition parameters. When 10 pL ink droplets rapidly formed a liquid pool, a coffee ring structure containing dendritic RDX crystals was produced. By increasing the substrate temperature, and consequently the evaporation rate of the pooled ink, the coffee ring structure was mitigated and shorter dendrites from up to ∼1 to 0.2 mm with closer arm spacing from ∼15 to 1 μm were produced. When the nucleation and growth of RDX and CAB were confined within the evaporating droplets, a granular structure containing nanoscale RDX crystals was produced. The results suggest that evaporation rate and microfluidic droplet confinement can effectively be used to tailor the morphology of inkjet-printed energetic composites.

  14. Synthesis of novel liquid crystal compounds and their blood compatibility as anticoagulative materials

    International Nuclear Information System (INIS)

    Tu Mei; Cha Zhenhang; Feng Bohua; Zhou Changren

    2006-01-01

    The objective of this study was to synthesize new types of cholesteric liquid crystal compounds and study the anticoagulative properties of their composite membranes. Three kinds of cholesteric liquid crystal compounds were synthesized and characterized by infrared spectroscopy, differential scanning calorimetry and optical polarizing microscope. The polysiloxane, as a substrate, was blended with three liquid crystal compounds and was then used as membranes. The anticoagulative property of different polysiloxane liquid crystal composite membranes was identified by the blood compatibility tests. Three cholesteryl liquid crystals synthesized in this work contained hydrophilic soft chains and presented iridescent texture owned by cholesteric liquid crystals in the range of their liquid crystal state temperature, but only cholesteryl acryloyl oxytetraethylene glycol carbonate was in the liquid crystal state at body temperature. When liquid crystals were blended with polysiloxane to form polysiloxane/liquid crystal composite membranes, the haemocompatibility of these membranes could be improved to some extent. The blood compatibility of composite membranes whose hydrophilic property was the best was more excellent than that of other composite membranes, fewer platelets adhered and spread, and showed little distortion on the surface of materials

  15. Cross-section of single-crystal materials used as thermal neutron filters

    International Nuclear Information System (INIS)

    Adib, M.

    2005-01-01

    Transmission properties of several single crystal materials important for neutron scattering instrumentation are presented. A computer codes are developed which permit the calculation of thermal diffuse and Bragg-scattering cross-sections of silicon., and sapphire as a function of material's constants, temperature and neutron energy, E, in the range 0.1 MeV .A discussion of the use of their single-crystal as a thermal neutron filter in terms of the optimum crystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons is given

  16. Monoolein lipid phases as incorporation and enrichment materials for membrane protein crystallization.

    Directory of Open Access Journals (Sweden)

    Ellen Wallace

    Full Text Available The crystallization of membrane proteins in amphiphile-rich materials such as lipidic cubic phases is an established methodology in many structural biology laboratories. The standard procedure employed with this methodology requires the generation of a highly viscous lipidic material by mixing lipid, for instance monoolein, with a solution of the detergent solubilized membrane protein. This preparation is often carried out with specialized mixing tools that allow handling of the highly viscous materials while minimizing dead volume to save precious membrane protein sample. The processes that occur during the initial mixing of the lipid with the membrane protein are not well understood. Here we show that the formation of the lipidic phases and the incorporation of the membrane protein into such materials can be separated experimentally. Specifically, we have investigated the effect of different initial monoolein-based lipid phase states on the crystallization behavior of the colored photosynthetic reaction center from Rhodobacter sphaeroides. We find that the detergent solubilized photosynthetic reaction center spontaneously inserts into and concentrates in the lipid matrix without any mixing, and that the initial lipid material phase state is irrelevant for productive crystallization. A substantial in-situ enrichment of the membrane protein to concentration levels that are otherwise unobtainable occurs in a thin layer on the surface of the lipidic material. These results have important practical applications and hence we suggest a simplified protocol for membrane protein crystallization within amphiphile rich materials, eliminating any specialized mixing tools to prepare crystallization experiments within lipidic cubic phases. Furthermore, by virtue of sampling a membrane protein concentration gradient within a single crystallization experiment, this crystallization technique is more robust and increases the efficiency of identifying productive

  17. Crystal-field tuning of photoluminescence in two-dimensional materials with embedded lanthanide ions

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Ding; Chen, Weiyin; Zeng, Mengqi; Xue, Haifeng; Chen, Yunxu; Xiao, Yao; Zhang, Tao; Fu, Lei [College of Chemistry and Molecular Sciences, Institute for Advanced Studies, Wuhan University, Wuhan (China); Sang, Xiahan; Unocic, Raymond R.; Xiao, Kai [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN (United States)

    2018-01-15

    Lanthanide (Ln) group elements have been attracting considerable attention owing to the distinct optical properties. The crystal-field surroundings of Ln ions in the host materials can determine their energy level splitting, which is of vital importance to tailor their optical properties. 2D MoS{sub 2} single crystals were utilized as the host material to embed Eu{sup 3+} and energy-level splitting was achieved for tuning its photoluminescence (PL). The high anisotropy of the 2D host materials makes them distort the degenerate orbitals of the Ln ions more efficiently than the symmetrical bulk host materials. A significant red-shift of the PL peak for Eu{sup 3+} was observed. The strategy for tailoring the energy level splitting of Ln ions by the highly designable 2D material crystal field provides a new method to extend their optical properties. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Liquid crystal alignment in electro-responsive nanostructured thermosetting materials based on block copolymer dispersed liquid crystal

    Energy Technology Data Exchange (ETDEWEB)

    Tercjak, A; Garcia, I; Mondragon, I [Materials-Technologies Group, Departamento IngenierIa Quimica y M Ambiente, Escuela Politecnica, Universidad PaIs Vasco/Euskal Herriko Unibertsitatea, Plaza Europa 1, E-20018 Donostia-San Sebastian (Spain)], E-mail: scptesza@sc.ehu.es, E-mail: inaki.mondragon@ehu.es

    2008-07-09

    Novel well-defined nanostructured thermosetting systems were prepared by modification of a diglicydylether of bisphenol-A epoxy resin (DGEBA) with 10 or 15 wt% amphiphilic poly(styrene-b-ethylene oxide) block copolymer (PSEO) and 30 or 40 wt% low molecular weight liquid crystal 4'-(hexyl)-4-biphenyl-carbonitrile (HBC) using m-xylylenediamine (MXDA) as a curing agent. The competition between well-defined nanostructured materials and the ability for alignment of the liquid crystal phase in the materials obtained has been studied by atomic and electrostatic force microscopy, AFM and EFM, respectively. Based on our knowledge, this is the first time that addition of an adequate amount (10 wt%) of a block copolymer to 40 wt% HBC-(DGEBA/MXDA) leads to a well-organized nanostructured thermosetting system (between a hexagonal and worm-like ordered structure), which is also electro-responsive with high rate contrast. This behavior was confirmed using electrostatic force microscopy (EFM), by means of the response of the HBC liquid crystal phase to the voltage applied to the EFM tip. In contrast, though materials containing 15 wt% PSEO and 30 wt% HBC also form a well-defined nanostructured thermosetting system, they do not show such a high contrast between the uncharged and charged surface.

  19. Liquid crystal alignment in electro-responsive nanostructured thermosetting materials based on block copolymer dispersed liquid crystal.

    Science.gov (United States)

    Tercjak, A; Garcia, I; Mondragon, I

    2008-07-09

    Novel well-defined nanostructured thermosetting systems were prepared by modification of a diglicydylether of bisphenol-A epoxy resin (DGEBA) with 10 or 15 wt% amphiphilic poly(styrene-b-ethylene oxide) block copolymer (PSEO) and 30 or 40 wt% low molecular weight liquid crystal 4'-(hexyl)-4-biphenyl-carbonitrile (HBC) using m-xylylenediamine (MXDA) as a curing agent. The competition between well-defined nanostructured materials and the ability for alignment of the liquid crystal phase in the materials obtained has been studied by atomic and electrostatic force microscopy, AFM and EFM, respectively. Based on our knowledge, this is the first time that addition of an adequate amount (10 wt%) of a block copolymer to 40 wt% HBC-(DGEBA/MXDA) leads to a well-organized nanostructured thermosetting system (between a hexagonal and worm-like ordered structure), which is also electro-responsive with high rate contrast. This behavior was confirmed using electrostatic force microscopy (EFM), by means of the response of the HBC liquid crystal phase to the voltage applied to the EFM tip. In contrast, though materials containing 15 wt% PSEO and 30 wt% HBC also form a well-defined nanostructured thermosetting system, they do not show such a high contrast between the uncharged and charged surface.

  20. Liquid crystal alignment in electro-responsive nanostructured thermosetting materials based on block copolymer dispersed liquid crystal

    International Nuclear Information System (INIS)

    Tercjak, A; Garcia, I; Mondragon, I

    2008-01-01

    Novel well-defined nanostructured thermosetting systems were prepared by modification of a diglicydylether of bisphenol-A epoxy resin (DGEBA) with 10 or 15 wt% amphiphilic poly(styrene-b-ethylene oxide) block copolymer (PSEO) and 30 or 40 wt% low molecular weight liquid crystal 4'-(hexyl)-4-biphenyl-carbonitrile (HBC) using m-xylylenediamine (MXDA) as a curing agent. The competition between well-defined nanostructured materials and the ability for alignment of the liquid crystal phase in the materials obtained has been studied by atomic and electrostatic force microscopy, AFM and EFM, respectively. Based on our knowledge, this is the first time that addition of an adequate amount (10 wt%) of a block copolymer to 40 wt% HBC-(DGEBA/MXDA) leads to a well-organized nanostructured thermosetting system (between a hexagonal and worm-like ordered structure), which is also electro-responsive with high rate contrast. This behavior was confirmed using electrostatic force microscopy (EFM), by means of the response of the HBC liquid crystal phase to the voltage applied to the EFM tip. In contrast, though materials containing 15 wt% PSEO and 30 wt% HBC also form a well-defined nanostructured thermosetting system, they do not show such a high contrast between the uncharged and charged surface

  1. A novel laser-based method for controlled crystallization in dental prosthesis materials

    Science.gov (United States)

    Cam, Peter; Neuenschwander, Beat; Schwaller, Patrick; Köhli, Benjamin; Lüscher, Beat; Senn, Florian; Kounga, Alain; Appert, Christoph

    2015-02-01

    Glass-ceramic materials are increasingly becoming the material of choice in the field of dental prosthetics, as they can feature both high strength and very good aesthetics. It is believed that their color, microstructure and mechanical properties can be tuned such as to achieve an optimal lifelike performance. In order to reach that ultimate perfection a controlled arrangement of amorphous and crystalline phases in the material is required. A phase transformation from amorphous to crystalline is achieved by a heat treatment at defined temperature levels. The traditional approach is to perform the heat treatment in a furnace. This, however, only allows a homogeneous degree of crystallization over the whole volume of the parent glass material. Here a novel approach using a local heat treatment by laser irradiation is presented. To investigate the potential of this approach the crystallization process of SiO2-Li2O-Al2O3-based glass has been studied with laser systems (pulsed and continuous wave) operating at different wavelengths. Our results show the feasibility of gradual and partial crystallization of the base material using continuous laser irradiation. A dental prosthesis machined from an amorphous glassy state can be effectively treated with laser irradiation and crystallized within a confined region of a few millimeters starting from the body surface. Very good aesthetics have been achieved. Preliminary investigation with pulsed nanosecond lasers of a few hundreds nanoseconds pulse width has enabled more refinement of crystallization and possibility to place start of phase change within the material bulk.

  2. Fabrication of photonic crystals on several kinds of semiconductor materials by using focused-ion beam method

    International Nuclear Information System (INIS)

    Xu Xingsheng; Chen Hongda; Xiong Zhigang; Jin Aizi; Gu Changzhi; Cheng Bingying; Zhang Daozhong

    2007-01-01

    In this paper, we introduced the fabrication of photonic crystals on several kinds of semiconductor materials by using focused-ion beam machine, it shows that the method of focused-ion beam can fabricate two-dimensional photonic crystal and photonic crystal device efficiently, and the quality of the fabricated photonic crystal is high. Using the focused-ion beam method, we fabricate photonic crystal wavelength division multiplexer, and its characteristics are analyzed

  3. Directory of crystal growth and solid state materials production and research

    Energy Technology Data Exchange (ETDEWEB)

    Connolly, T.F.; Battle, G.C.; Keesee, A.M. (comps.)

    1979-03-01

    This directory lists only those who returned questionnaires distributed by the Research Materials Information Center during 1978. The directory includes, in addition to crystal growers, those preparing starting materials for crystal growth and ultrapure noncrystalline research specimens. It also includes responses from those characterizing, or otherwise studying, the properties of materials provided by others. The international coverage of the directory is limited to the United States, Argentina, Australia, Bulgaria, Canada, Czechoslovakia, Egypt, Finland, East Germany, Hungary, India, Israel, Japan, Mexico, Poland, Romania, South Africa, Taiwan, Yugoslavia, and Zaire.

  4. Directory of crystal growth and solid state materials production and research

    International Nuclear Information System (INIS)

    Connolly, T.F.; Battle, G.C.; Keesee, A.M.

    1979-03-01

    This directory lists only those who returned questionnaires distributed by the Research Materials Information Center during 1978. The directory includes, in addition to crystal growers, those preparing starting materials for crystal growth and ultrapure noncrystalline research specimens. It also includes responses from those characterizing, or otherwise studying, the properties of materials provided by others. The international coverage of the directory is limited to the United States, Argentina, Australia, Bulgaria, Canada, Czechoslovakia, Egypt, Finland, East Germany, Hungary, India, Israel, Japan, Mexico, Poland, Romania, South Africa, Taiwan, Yugoslavia, and Zaire

  5. First measurement of the nonlinear coefficient for Gd1-xLux Ca4O(BO3)3 and Gd1-xScxCa4O(BO3)3 crystals

    DEFF Research Database (Denmark)

    Andersen, Martin Thalbitzer; Mortensen, Jesper Liltorp; Germershausen, Sven

    2007-01-01

    The effective nonlinear coefficient and temperature acceptance bandwidth of three Lu and Sc co-doped GdCa4O(B03)3 type nonlinear crystals were measured. NCPM for SHG in to the blue-UV spectral region can be obtained by controlling the co-dopant concentration. Measurements were based on intra-cavi...

  6. Functional organic materials based on polymerized liquid-crystal monomers: supramolecular hydrogen-bonded systems

    NARCIS (Netherlands)

    Broer, D.J.; Bastiaansen, C.W.M.; Debije, M.G.; Schenning, A.P.H.J.

    2012-01-01

    Functional organic materials are of great interest for a variety of applications. To obtain precise functional properties, well-defined hierarchically ordered supramolecular materials are crucial. The self-assembly of liquid crystals has proven to be an extremely useful tool in the development of

  7. Morphological studies of polymer dispersed liquid crystal materials

    International Nuclear Information System (INIS)

    Han, Jin-Woo

    2006-01-01

    In this work, we have studied the morphologies of polymer dispersed liquid crystals (PDLCs) based on E7/NOA61. Scanning electron microscope studies show that the PDLC morphology is strongly affected by the LC concentration and the cure temperature. A typical PDLC morphology with isolated LC droplets dispersed in a polymer matrix is only observed at low LC compositions and at low cure temperatures. Increasing either the LC composition or the cure temperature results in a polymer ball morphology, in which LCs exist in irregularly shaped voids in the polymer network structure. It is shown that the transition between these two morphologies can be qualitatively explained using a pseudo-binary phase diagram.

  8. Design considerations for a Space Shuttle Main Engine turbine blade made of single crystal material

    Science.gov (United States)

    Abdul-Aziz, A.; August, R.; Nagpal, V.

    1993-01-01

    Nonlinear finite-element structural analyses were performed on the first stage high-pressure fuel turbopump blade of the Space Shuttle Main Engine. The analyses examined the structural response and the dynamic characteristics at typical operating conditions. Single crystal material PWA-1480 was considered for the analyses. Structural response and the blade natural frequencies with respect to the crystal orientation were investigated. The analyses were conducted based on typical test stand engine cycle. Influence of combined thermal, aerodynamic, and centrifugal loadings was considered. Results obtained showed that the single crystal secondary orientation effects on the maximum principal stresses are not highly significant.

  9. Microscopic Mechanism of Doping-Induced Kinetically Constrained Crystallization in Phase-Change Materials.

    Science.gov (United States)

    Lee, Tae Hoon; Loke, Desmond; Elliott, Stephen R

    2015-10-07

    A comprehensive microscopic mechanism of doping-induced kinetically constrained crystallization in phase-change materials is provided by investigating structural and dynamical dopant characteristics via ab initio molecular dynamics simulations. The information gained from this study may provide a basis for a fast screening of dopant species for electronic memory devices, or for understanding the general physics involved in the crystallization of doped glasses. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Invited review liquid crystal models of biological materials and silk spinning.

    Science.gov (United States)

    Rey, Alejandro D; Herrera-Valencia, Edtson E

    2012-06-01

    A review of thermodynamic, materials science, and rheological liquid crystal models is presented and applied to a wide range of biological liquid crystals, including helicoidal plywoods, biopolymer solutions, and in vivo liquid crystals. The distinguishing characteristics of liquid crystals (self-assembly, packing, defects, functionalities, processability) are discussed in relation to biological materials and the strong correspondence between different synthetic and biological materials is established. Biological polymer processing based on liquid crystalline precursors includes viscoelastic flow to form and shape fibers. Viscoelastic models for nematic and chiral nematics are reviewed and discussed in terms of key parameters that facilitate understanding and quantitative information from optical textures and rheometers. It is shown that viscoelastic modeling the silk spinning process using liquid crystal theories sheds light on textural transitions in the duct of spiders and silk worms as well as on tactoidal drops and interfacial structures. The range and consistency of the predictions demonstrates that the use of mesoscopic liquid crystal models is another tool to develop the science and biomimetic applications of mesogenic biological soft matter. Copyright © 2011 Wiley Periodicals, Inc.

  11. A non-affine micro-macro approach to strain-crystallizing rubber-like materials

    Science.gov (United States)

    Rastak, Reza; Linder, Christian

    2018-02-01

    Crystallization can occur in rubber materials at large strains due to a phenomenon called strain-induced crystallization. We propose a multi-scale polymer network model to capture this process in rubber-like materials. At the microscopic scale, we present a chain formulation by studying the thermodynamic behavior of a polymer chain and its crystallization mechanism inside a stretching polymer network. The chain model accounts for the thermodynamics of crystallization and presents a rate-dependent evolution law for crystallization based on the gradient of the free energy with respect to the crystallinity variables to ensures the dissipation is always non-negative. The multiscale framework allows the anisotropic crystallization of rubber which has been observed experimentally. Two different approaches for formulating the orientational distribution of crystallinity are studied. In the first approach, the algorithm tracks the crystallization at a finite number of orientations. In contrast, the continuous distribution describes the crystallization for all polymer chain orientations and describes its evolution with only a few distribution parameters. To connect the deformation of the micro with that of the macro scale, our model combines the recently developed maximal advance path constraint with the principal of minimum average free energy, resulting in a non-affine deformation model for polymer chains. Various aspects of the proposed model are validated by existing experimental results, including the stress response, crystallinity evolution during loading and unloading, crystallinity distribution, and the rotation of the principal crystallization direction. As a case study, we simulate the formation of crystalline regions around a pre-existing notch in a 3D rubber block and we compare the results with experimental data.

  12. Crystallization kinetics of magnetic glass-ceramics prepared by the processing of waste materials

    International Nuclear Information System (INIS)

    Francis, A.A.

    2006-01-01

    The objective of the present investigation was to study the feasibility of conversion of an intimate mixture of blast furnace slag and blast furnace flue dust generated by a single industrial company into magnetic glass-ceramic product. Blast furnace slag (BFS) and blast furnace flue dust (BFD) are generated at a rate of 300,000 and 30,000 tons/year, respectively, from iron and steel factory. The crystallization mechanisms of a composition containing BFS and BFD in a 50/50 proportion were investigated by differential thermal analysis (DTA), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The crystallization temperature was found to vary from 900 to 1100 deg. C and two phases appeared in the crystallized samples: pyroxene Ca(Mg, Fe, Al)(Si, Al) 2 O 6 and magnetite/maghemite. Heating rate and particle sizes effects on crystal growth of powdered samples were studied by DTA. The apparent activation energy of crystal growth using the particle size 180-315 μm was determined to be 355 and 329 kJ/mol for the first and second peak, respectively. The presence of sharp and broad crystallization peaks indicate simultaneous surface and internal crystallization mechanism. Good wear resistance and chemical durability particularly in alkaline environment, combine with good hardness and magnetic properties make this glass-ceramic material potentially useful for various industrial applications

  13. Electron-beam-irradiation-induced crystallization of amorphous solid phase change materials

    Science.gov (United States)

    Zhou, Dong; Wu, Liangcai; Wen, Lin; Ma, Liya; Zhang, Xingyao; Li, Yudong; Guo, Qi; Song, Zhitang

    2018-04-01

    The electron-beam-irradiation-induced crystallization of phase change materials in a nano sized area was studied by in situ transmission electron microscopy and selected area electron diffraction. Amorphous phase change materials changed to a polycrystalline state after being irradiated with a 200 kV electron beam for a long time. The results indicate that the crystallization temperature strongly depends on the difference in the heteronuclear bond enthalpy of the phase change materials. The selected area electron diffraction patterns reveal that Ge2Sb2Te5 is a nucleation-dominated material, when Si2Sb2Te3 and Ti0.5Sb2Te3 are growth-dominated materials.

  14. CERN: SC-33

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    On 22 April a forward-looking CERN also looked back for a day, when the 'SC-33' event reviewed the achievements of CERN's first machine, the 600 MeV SynchroCyclotron (SC), which closed down on 17 December after 33 years of valiant service

  15. CERN: SC-33

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1991-06-15

    On 22 April a forward-looking CERN also looked back for a day, when the 'SC-33' event reviewed the achievements of CERN's first machine, the 600 MeV SynchroCyclotron (SC), which closed down on 17 December after 33 years of valiant service.

  16. S-C Mylonites

    NARCIS (Netherlands)

    Lister, G.S.; Snoke, A.W.

    1984-01-01

    Two types of foliations are commonly developed in mylonites and mylonitic rocks: (a) S-surfaces related to the accumulation of finite strain and (b) C-surfaces related to displacement discontinuities or zones of relatively high shear strain. There are two types of S-C mylonites. Type I S-C

  17. First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea

    Science.gov (United States)

    Masunov, Artëm E.; Tannu, Arman; Dyakov, Alexander A.; Matveeva, Anastasia D.; Freidzon, Alexandra Ya.; Odinokov, Alexey V.; Bagaturyants, Alexander A.

    2017-06-01

    The crystalline materials with nonlinear optical (NLO) properties are critically important for several technological applications, including nanophotonic and second harmonic generation devices. Urea is often considered to be a standard NLO material, due to the combination of non-centrosymmetric crystal packing and capacity for intramolecular charge transfer. Various approaches to crystal engineering of non-centrosymmetric molecular materials were reported in the literature. Here we propose using global lattice energy minimization to predict the crystal packing from the first principles. We developed a methodology that includes the following: (1) parameter derivation for polarizable force field AMOEBA; (2) local minimizations of crystal structures with these parameters, combined with the evolutionary algorithm for a global minimum search, implemented in program USPEX; (3) filtering out duplicate polymorphs produced; (4) reoptimization and final ranking based on density functional theory (DFT) with many-body dispersion (MBD) correction; and (5) prediction of the second-order susceptibility tensor by finite field approach. This methodology was applied to predict virtual urea polymorphs. After filtering based on packing similarity, only two distinct packing modes were predicted: one experimental and one hypothetical. DFT + MBD ranking established non-centrosymmetric crystal packing as the global minimum, in agreement with the experiment. Finite field approach was used to predict nonlinear susceptibility, and H-bonding was found to account for a 2.5-fold increase in molecular hyperpolarizability to the bulk value.

  18. Rare-Earth Tantalates and Niobates Single Crystals: Promising Scintillators and Laser Materials

    Directory of Open Access Journals (Sweden)

    Renqin Dou

    2018-01-01

    Full Text Available Rare-earth tantalates, with high density and monoclinic structure, and niobates with monoclinic structure have been paid great attention as potential optical materials. In the last decade, we focused on the crystal growth technology of rare-earth tantalates and niobates and studied their luminescence and physical properties. A series of rare-earth tantalates and niobates crystals have been grown by the Czochralski method successfully. In this work, we summarize the research results on the crystal growth, scintillation, and laser properties of them, including the absorption and emission spectra, spectral parameters, energy levels structure, and so on. Most of the tantalates and niobates exhibit excellent luminescent properties, rich physical properties, and good chemical stability, indicating that they are potential outstanding scintillators and laser materials.

  19. Phase-change materials: vibrational softening upon crystallization and its impact on thermal properties

    Energy Technology Data Exchange (ETDEWEB)

    Matsunaga, Toshiyuki [Materials Science and Analysis Technology Centre, Panasonic Corporation, Osaka (Japan); Japan Synchrotron Radiation Research Institute Hyogo (Japan); Yamada, Noboru [Digital and Network Technology Development Centre, Panasonic Corporation, Osaka (Japan); Japan Synchrotron Radiation Research Institute Hyogo (Japan); Kojima, Rie [Digital and Network Technology Development Centre, Panasonic Corporation, Osaka (Japan); Shamoto, Shinichi [Neutron Science Research Centre, Japan Atomic Energy Research Institute, Ibaraki (Japan); Sato, Masugu; Tanida, Hajime; Uruga, Tomoya; Kohara, Shinji [Japan Synchrotron Radiation Research Institute, Hyogo (Japan); Takata, Masaki [SPring-8/RIKEN, Hyogo, Japan, Department of Advanced Materials Science, School of Frontier Sciences, The University of Tokyo, Chiba (Japan); Zalden, Peter; Bruns, Gunnar; Wuttig, Matthias [I. Physikalisches Institut und JARA-FIT, RWTH Aachen Univ. (Germany); Sergueev, Ilya [European Synchrotron Radiation Facility, Grenoble (France); Wille, Hans Christian [Deutsches Elektronen-Synchrotron, Hamburg (Germany); Hermann, Raphael Pierre [Juelich Centre for Neutron Science JCNS and Peter Gruenberg, Institut PGI, JARA-FIT, Forschungszentrum Juelich GmbH (Germany); Faculte des Sciences, Universite de Liege (Belgium)

    2011-06-21

    Crystallization of an amorphous solid is usually accompanied by a significant change of transport properties, such as an increase in thermal and electrical conductivity. This fact underlines the importance of crystalline order for the transport of charge and heat. Phase-change materials, however, reveal a remarkably low thermal conductivity in the crystalline state. The small change in this conductivity upon crystallization points to unique lattice properties. The present investigation reveals that the thermal properties of the amorphous and crystalline state of phase-change materials show remarkable differences such as higher thermal displacements and a more pronounced anharmonic behavior in the crystalline phase. These findings are related to the change of bonding upon crystallization, which leads to an increase of the sound velocity and a softening of the optical phonon modes at the same time. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Attenuation of Reactor Gamma Radiation and Fast Neutrons Through Large Single-Crystal Materials

    International Nuclear Information System (INIS)

    Adib, M.

    2009-01-01

    A generalized formula is given which, for neutron energies in the range 10-4< E< 10 eV and gamma rays with average energy 2 MeV , permits calculation of the transmission properties of several single crystal materials important for neutron scattering instrumentation. A computer program Filter was developed which permits the calculation of attenuation of gamma radiation, nuclear capture, thermal diffuse and Bragg-scattering cross-sections as a function of materials constants, temperature and neutron energy. The applicability of the deduced formula along with the code checked from the obtained agreement between the calculated and experimental neutron transmission through various single-crystals A feasibility study for use of Si, Ge, Pb, Bi and sapphire is detailed in terms of optimum crystal thickness, mosaic spread and cutting plane for efficient transmission of thermal reactor neutrons and for rejection of the accompanying fast neutrons and gamma rays.

  1. Hydride vapor phase epitaxy growth of GaN, InGaN, ScN, and ScAIN

    NARCIS (Netherlands)

    Bohnen, T.

    2010-01-01

    Chemical vapor deposition (CVD); hydride vapor phase epitaxy (HVPE); gallium nitride (GaN); indium gallium nitride (InGaN); scandium nitride (ScN); scandium aluminum nitride (ScAlN); semiconductors; thin films; nanowires; III nitrides; crystal growth - We studied the HVPE growth of different III

  2. Phase field modeling of rapid crystallization in the phase-change material AIST

    Science.gov (United States)

    Tabatabaei, Fatemeh; Boussinot, Guillaume; Spatschek, Robert; Brener, Efim A.; Apel, Markus

    2017-07-01

    We carry out phase field modeling as a continuum simulation technique in order to study rapid crystallization processes in the phase-change material AIST (Ag4In3Sb67Te26). In particular, we simulate the spatio-temporal evolution of the crystallization of a molten area of the phase-change material embedded in a layer stack. The simulation model is adapted to the experimental conditions used for recent measurements of crystallization rates by a laser pulse technique. Simulations are performed for substrate temperatures close to the melting temperature of AIST down to low temperatures when an amorphous state is involved. The design of the phase field model using the thin interface limit allows us to retrieve the two limiting regimes of interface controlled (low temperatures) and thermal transport controlled (high temperatures) dynamics. Our simulations show that, generically, the crystallization velocity presents a maximum in the intermediate regime where both the interface mobility and the thermal transport, through the molten area as well as through the layer stack, are important. Simulations reveal the complex interplay of all different contributions. This suggests that the maximum switching velocity depends not only on material properties but also on the precise design of the thin film structure into which the phase-change material is embedded.

  3. Sodium sulfate heptahydrate: direct observation of crystallization in a porous material

    NARCIS (Netherlands)

    Hamilton, A.; Hall, C.; Pel, L.

    2008-01-01

    It is well known that sodium sulfate causes salt crystallization damage in building materials and rocks. However since the early 1900s the existence of the metastable heptahydrate has been largely forgotten and almost entirely overlooked in scientific publications on salt damage mechanics and on

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

    Science.gov (United States)

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

    2017-12-01

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

  5. crystal

    Science.gov (United States)

    Yu, Yi; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin; Sun, Shijia; Wang, Guofu

    2014-07-01

    A Nd3+:Na2La4(WO4)7 crystal with dimensions of ϕ 17 × 30 mm3 was grown by the Czochralski method. The thermal expansion coefficients of Nd3+:Na2La4(WO4)7 crystal are 1.32 × 10-5 K-1 along c-axis and 1.23 × 10-5 K-1 along a-axis, respectively. The spectroscopic characteristics of Nd3+:Na2La4(WO4)7 crystal were investigated. The Judd-Ofelt theory was applied to calculate the spectral parameters. The absorption cross sections at 805 nm are 2.17 × 10-20 cm2 with a full width at half maximum (FWHM) of 15 nm for π-polarization, and 2.29 × 10-20 cm2 with a FWHM of 14 nm for σ-polarization. The emission cross sections are 3.19 × 10-20 cm2 for σ-polarization and 2.67 × 10-20 cm2 for π-polarization at 1,064 nm. The fluorescence quantum efficiency is 67 %. The quasi-cw laser of Nd3+:Na2La4(WO4)7 crystal was performed. The maximum output power is 80 mW. The slope efficiency is 7.12 %. The results suggest Nd3+:Na2La4(WO4)7 crystal as a promising laser crystal fit for laser diode pumping.

  6. Angle-resolved imaging of single-crystal materials with MeV helium ions

    Energy Technology Data Exchange (ETDEWEB)

    Strathman, M D; Baumann, S [Charles Evans and Associates, Redwood City, CA (United States)

    1992-02-01

    The simplest form of angle-resolved mapping for single-crystal materials is the creation of a channeling angular scan. Several laboratories have expanded this simple procedure to include mapping as a function of two independent tilts. These angle-resolved images are particularly suited to the assessment of crystal parameters including disorder, lattice location of impurities, and lattice stress. This paper will describe the use of the Charles Evans and Associates RBS-400 scattering chamber for acquisition, display, and analysis of angle-resolved images obtained from backscattered helium ions. Typical data acquisition times are 20 min for a {+-}2deg X-Y tilt scan with 2500 pixels (8/100deg resolution), and 10 nC per pixel. In addition, we will present a method for automatically aligning crystals for channeling measurements based on this imaging technology. (orig.).

  7. Angle-resolved imaging of single-crystal materials with MeV helium ions

    International Nuclear Information System (INIS)

    Strathman, M.D.; Baumann, S.

    1992-01-01

    The simplest form of angle-resolved mapping for single-crystal materials is the creation of a channeling angular scan. Several laboratories have expanded this simple procedure to include mapping as a function of two independent tilts. These angle-resolved images are particularly suited to the assessment of crystal parameters including disorder, lattice location of impurities, and lattice stress. This paper will describe the use of the Charles Evans and Associates RBS-400 scattering chamber for acquisition, display, and analysis of angle-resolved images obtained from backscattered helium ions. Typical data acquisition times are 20 min for a ±2deg X-Y tilt scan with 2500 pixels (8/100deg resolution), and 10 nC per pixel. In addition, we will present a method for automatically aligning crystals for channeling measurements based on this imaging technology. (orig.)

  8. Broadband one-dimensional photonic crystal wave plate containing single-negative materials.

    Science.gov (United States)

    Chen, Yihang

    2010-09-13

    The properties of the phase shift of wave reflected from one-dimensional photonic crystals consisting of periodic layers of single-negative (permittivity- or permeability-negative) materials are demonstrated. As the incident angle increases, the reflection phase shift of TE wave decreases, while that of TM wave increases. The phase shifts of both polarized waves vary smoothly as the frequency changes across the photonic crystal stop band. Consequently, the difference between the phase shift of TE and that of TM wave could remain constant in a rather wide frequency range inside the stop band. These properties are useful to design wave plate or retarder which can be used in wide spectral band. In addition, a broadband photonic crystal quarter-wave plate is proposed.

  9. Wave Propagation From Electrons to Photonic Crystals and Left-Handed Materials

    CERN Document Server

    Markos, Peter

    2010-01-01

    This textbook offers the first unified treatment of wave propagation in electronic and electromagnetic systems and introduces readers to the essentials of the transfer matrix method, a powerful analytical tool that can be used to model and study an array of problems pertaining to wave propagation in electrons and photons. It is aimed at graduate and advanced undergraduate students in physics, materials science, electrical and computer engineering, and mathematics, and is ideal for researchers in photonic crystals, negative index materials, left-handed materials, plasmonics, nonlinear effects,

  10. Wave propagation inside one-dimensional photonic crystals with single-negative materials

    International Nuclear Information System (INIS)

    Wang Ligang; Chen Hong; Zhu Shiyao

    2006-01-01

    The propagation of light waves in one-dimensional photonic crystals (1DPCs) composed of alternating layers of two kinds of single-negative materials is investigated theoretically. The phase velocity is negative when the frequency of the light wave is smaller than the certain critical frequency ω cr , while the Poynting vector is always positive. At normal incidence, such 1DPCs may act as equivalent left-handed materials. At the inclined incidence, the effective wave vectors inside such 1DPCs do refract negatively, while the effective energy flows do not refract negatively. Therefore, at the inclined incidence, the 1DPCs are not equivalent to the left-handed materials

  11. The ternary systems Sc-Sm(Dy)-Si at 870 K

    International Nuclear Information System (INIS)

    Kotur, B.Ya.; Mokra, I.Ya.; Toporinskij, A.Ya.

    1991-01-01

    Isothermal cross sections of the ternary systems Sc-Sm-Si and Sc-Dy-Si at 870 K have been plotted. Investigation of scandium and disprosium in ternary systems have been examined by X-ray diffraction and microstructure analysis. Besides literary data on binary systems Sc-Si, Sm-Si, Dy-Si have been used. Formation of limited (Sc-Sm-Si, Sc-Dy-Si) and continuous (Sc-Dy-Si) solid solutions based on bisilicides of Sc and Sm(Dy) is discovered. Two and five ternary compounds in Sc-Sm-Si and Sc-Dy-Si systems have been determined and their crystal structure has been established. When investigating of Sc-(rare earth element)-Si ternary systems and should take into account the specific interaction of scandium and samarium with REE

  12. Mercury(II) and methylmercury(II) complexes of novel sterically hindered thiolates: 13C and 199Hg NMR studies and the crystal and molecular structures of [MeHg(SC6H2-2,4,6-Pri3)], [Hg(SC6H4-2-SiMe3)2], [Hg(2-SC5H3N-3-SiMe3)2], and [Hg{(2-SC6H4)2SiMe2}]2

    International Nuclear Information System (INIS)

    Block, E.; Brito, M.; Gernon, M.; McGowty, D.; Kang, Hyunkyu; Zubieta, J.

    1990-01-01

    Several series of complexes of the types [MeHg(SR)] and [Hg(SR) 2 ] have been synthesized, where the ligands are members of new classes of sterically hindered thiolates, including (triorganosilyl)methanethiols, 2-(triorganosilyl)benzenethiols, 3-(triorganosilyl)pyridine-2-thiols, and bis(2-mercaptophenyl) derivatives. Detailed 1 H, 13 C, and 199 Hg NMR studies revealed several general trends. The 199 Hg chemical shifts moved upfield in the order [MeHg(SR)] 2 ] 2 ] 2 ]. For the [MeHg(SR)] series of complexes, 1 J(Hg-C) correlates with δ( 13 C(methyl)) and with the type of thiolate ligand. Anomalous behavior is observed for oligomeric species. There is only a limited correlation of δ( 199 Hg) with steric cone angles for a subset of the complexes. Crystal data for the complexes are reported. 86 refs., 7 figs., 11 tabs

  13. Evaluation of undoped ZnS single crystal materials for x-ray imaging applications

    Science.gov (United States)

    Saleh, Muad; Lynn, Kelvin G.; McCloy, John S.

    2017-05-01

    ZnS-based materials have a long history of use as x-ray luminescent materials. ZnS was one of the first discovered scintillators and is reported to have one of the highest scintillator efficiencies. The use of ZnS for high energy luminescence has been thus far limited to thin powder screens, such as ZnS:Ag which is used for detecting alpha radiation, due to opacity to its scintillation light, primarily due to scattering. ZnS in bulk form (chemical vapor deposited, powder processed, and single crystal) has high transmission and low scattering compared to powder screens. In this paper, the performance of single crystalline ZnS is evaluated for low energy x-ray (PLE) of several undoped ZnS single crystals is compared to their Radioluminescence (RL) spectra. It was found that the ZnS emission wavelength varies on the excitation source energy.

  14. Study on the Reflection Spectra of One Dimensional Plasma Photonic Crystals Having Exponentially Graded Materials

    International Nuclear Information System (INIS)

    Prasad, S.; Singh, Vivek; Singh, A. K.

    2013-01-01

    The transfer matrix method is used to study the effect of the permittivity profile on the reflectivity of a one dimensional plasma photonic crystal having exponentially graded material. The analysis shows that the proposed structure works as a perfect mirror within a certain frequency range. These frequency ranges can be completely controlled by the permittivity profile of a graded dielectric layer. As expected we observed that these frequency ranges are also controlled by plasma parameters. (plasma technology)

  15. Data-driven discovery of energy materials: efficient BaM2Si3O10 : Eu2+ (M = Sc, Lu) phosphors for application in solid state white lighting.

    Science.gov (United States)

    Brgoch, Jakoah; Hasz, Kathryn; Denault, Kristin A; Borg, Christopher K H; Mikhailovsky, Alexander A; Seshadri, Ram

    2014-01-01

    In developing phosphors for application in solid state lighting, it is advantageous to target structures from databases with highly condensed polyhedral networks that produce rigid host compounds. Rigidity limits channels for non-radiative decay that will decrease the luminescence quantum yield. BaM(2)Si(3)O(10) (M = Sc, Lu) follows this design criterion and is studied here as an efficient Eu(2+)-based phosphor. M = Sc(3+) and Lu(3+) compounds with Eu(2+) substitution were prepared and characterized using synchrotron X-ray powder diffraction and photoluminescence spectroscopy. Substitution with Eu(2+) according to Ba(1-x)Eu(x)Sc(2)Si(3)O(10) and Ba(1-x)Eu(x)Lu(2)Si(3)O(10) results in UV-to-blue and UV-to-blue-green phosphors, respectively. Interestingly, substitution with Eu(2+) in the Lu(3+) containing material produces two emission peaks at low temperature and with 365 nm excitation, as allowed by the two substitution sites. The photoluminescence of the Sc(3+) compound is robust at high temperature, decreasing by only 25% of its room temperature intensity at 503 K, while the Lu-analogue suffers a large drop (75%) from its room temperature intensity. The decrease in emission intensity is explained as stemming from charge transfer quenching due to the short distances separating the luminescent centers on the Lu(3+) substitution site. The correlation between structure and optical response in these two compounds indicates that even though the structures are three-dimensionally connected, high symmetry is required to prevent structural distortions that could impact photoluminescence.

  16. Single-crystal growth of ceria-based materials; Einkristallzuechtung von Materialien auf der Basis von Cerdioxid

    Energy Technology Data Exchange (ETDEWEB)

    Ulbrich, Gregor

    2015-07-23

    In this work it could be shown that Skull-Melting is a suitable method for growing ceria single crystals. Twenty different ceria-based single crystals could be manufactured. It was possible to dope ceria single crystals with Gd, Sm, Y, Zr, Ti, Ta, and Pr in different concentrations. Also co-doping with the named metals was realized. However, there remain some problems for growing ceria-based single crystals by Skull-Melting. As ignition metal zirconium was used because no ceria-based material works well. For that reason all single crystals show small zirconium contamination. Another problem is the formation of oxygen by the heat-induced reduction of ceria during the melting process. Because of that the skull of sintered material is often destroyed by gas pressure. This problem had to be solved individually for every single crystal. The obtained single crystals were characterized using different methods. To ensure the single crystal character the y were examined by Laue diffraction. All manufactured crystals are single crystals. Also powder diffraction patterns of the milled and oxidized samples were measured. For the determination of symmetry and metric the structural parameters were analyzed by the Rietveld method. All synthesized materials crystallize in space group Fm-3m known from calcium fluoride. The cubic lattice parameter a was determined for all crystals. In the case of series with different cerium and zirconium concentrations a linear correlation between cerium content and cubic lattice parameter was detected. The elemental composition was determined by WDX. All crystals show a homogeneous elemental distribution. The oxygen content was calculated because the WDX method isn't useful for determination.

  17. Research for new materials manufacturing using XAFS. Around the non-crystal materials

    International Nuclear Information System (INIS)

    Sakurai, Masaki

    2000-01-01

    In the new materials manufacturing it becomes important to control its structure in nano-scale. The fine structure analysis using XAFS with the proton factory is also useful for the manufacturing. The following two items are reported. 1) The new materials manufacturing from amorphous state is very useful through the control of super cooling state and through the doping of a very small amount of additive elements; Radial distribution analysis using XAFS is important for understanding of the concentration fluctuation in the amorphous. 2) The new materials manufacturing from the cluster as a raw materials; Manufacturing the new materials from the cluster is very useful method through the condensation of the cluster of through the distribution the cluster in the matrix. The magic number clusters such as Me9O6, Me13O8, Me22O12 and Me43O20 (Me=Fe, Co, Ni) are observed they are much stable in comparing with other clusters. These magic number clusters are expected to be useful for the new material manufacturing. For the control of the cluster formation the in-situ analysis using LVCS is important in understanding the cluster formation process. (H. Katsuta)

  18. Synthesis and properties of large crystal of aluminum-deficient ultrasil molecular sieve materials

    International Nuclear Information System (INIS)

    Durrani, J.; Akhtar, J.; Chughtai, N.A.; Arif, M.; Saeed, K.; Ahmed, M.; Siddique, M.

    2003-01-01

    Large crystals of aluminum-deficient and silica rich molecular sieve materials such as Silicalite-I, Silicalite-II ZSM11-B and ZSM11-Fe have been synthesized hydro thermally from the aqueous silicate gel of (R/sub 2/O -SiO/sub 2/- B/sub 2/O/sub 3/ -Fe/sub 2/O/ sub 3/ -H/sub 2/O) using PTFE-lined stainless digestion bomb. The term R is a alkyl group. The synthesized materials were identified for crystallinity, thermal stability, phase, crystal structure, morphology and unit cell dimensions using thermogravimetry (TG/DTA), differential scanning calorimetric(DSC), X-ray diffraction (XRD), scanning electron microscopy (SEM) and other analytical techniques. All product materials were found to be white crystalline and crysto-graphically pure. Surface area and particle size distribution of materials were also ascertained. /sup 57/Fe Mossbauer spectroscopic studies on as-synthesized and calcined samples have confirmed the uniform dispersion of Fe/sup 3+/ ions in the tetrahedral framework of ZSM11-Fe material. (author)

  19. Symmetry Aspects of Dislocation-Effected Crystal Properties: Material Strength Levels and X-ray Topographic Imaging

    Directory of Open Access Journals (Sweden)

    Ronald W. Armstrong

    2014-03-01

    Full Text Available Several materials science type research topics are described in which advantageous use of crystal symmetry considerations has been helpful in ferreting the essential elements of dislocation behavior in determining material properties or for characterizing crystal/polycrystalline structural relationships; for example: (1 the mechanical strengthening produced by a symmetrical bicrystal grain boundary; (2 cleavage crack formation at the intersection within a crystal of symmetrical dislocation pile-ups; (3 symmetry aspects of anisotropic crystal indentation hardness measurements; (4 X-ray diffraction topography imaging of dislocation strains and subgrain boundary misorientations; and (5 point and space group aspects of twinning. Several applications are described in relation to the strengthening of grain boundaries in nanopolycrystals and of multiply-oriented crystal grains in polysilicon photovoltaic solar cell materials. A number of crystallographic aspects of the different topics are illustrated with a stereographic method of presentation.

  20. Estimation of Single-Crystal Elastic Constants of Polycrystalline Materials from Back-Scattered Grain Noise

    International Nuclear Information System (INIS)

    Haldipur, P.; Margetan, F. J.; Thompson, R. B.

    2006-01-01

    Single-crystal elastic stiffness constants are important input parameters for many calculations in material science. There are well established methods to measure these constants using single-crystal specimens, but such specimens are not always readily available. The ultrasonic properties of metal polycrystals, such as velocity, attenuation, and backscattered grain noise characteristics, depend in part on the single-crystal elastic constants. In this work we consider the estimation of elastic constants from UT measurements and grain-sizing data. We confine ourselves to a class of particularly simple polycrystalline microstructures, found in some jet-engine Nickel alloys, which are single-phase, cubic, equiaxed, and untextured. In past work we described a method to estimate the single-crystal elastic constants from measured ultrasonic velocity and attenuation data accompanied by metallographic analysis of grain size. However, that methodology assumes that all attenuation is due to grain scattering, and thus is not valid if appreciable absorption is present. In this work we describe an alternative approach which uses backscattered grain noise data in place of attenuation data. Efforts to validate the method using a pure copper specimen are discussed, and new results for two jet-engine Nickel alloys are presented

  1. Crystallization behaviour and thermal stability of two aluminium-based metallic glass powder materials

    Energy Technology Data Exchange (ETDEWEB)

    Li, X.P.; Yan, M. [University of Queensland, School of Mechanical and Mining Engineering, ARC Centre of Excellence for Design in Light Metals, Brisbane, QLD 4072 (Australia); Yang, B.J. [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Wang, J.Q., E-mail: jqwang@imr.ac.cn [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Schaffer, G.B. [University of Queensland, School of Mechanical and Mining Engineering, ARC Centre of Excellence for Design in Light Metals, Brisbane, QLD 4072 (Australia); Qian, M., E-mail: ma.qian@uq.edu.au [University of Queensland, School of Mechanical and Mining Engineering, ARC Centre of Excellence for Design in Light Metals, Brisbane, QLD 4072 (Australia)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer The crystallization paths and products of Al{sub 86}Ni{sub 7}Y{sub 4.5}Co{sub 1}La{sub 1.5} powder have been identified. Black-Right-Pointing-Pointer The thermal stability of Al{sub 86}Ni{sub 7}Y{sub 4.5}Co{sub 1}La{sub 1.5} powder has been assessed. Black-Right-Pointing-Pointer The Al{sub 86}Ni{sub 7}Y{sub 4.5}Co{sub 1}La{sub 1.5} powder shows a wide processing window of 75 K. Black-Right-Pointing-Pointer The powder has the potential to be consolidated into thick BMG components based on the findings. Black-Right-Pointing-Pointer The Al{sub 85}Ni{sub 5}Y{sub 6}Co{sub 2}Fe{sub 2} powder shows similar characteristics but inferior thermal stability. - Abstract: The crystallization behaviour and thermal stability of two Al-based metallic glass powder materials, Al{sub 85}Ni{sub 5}Y{sub 6}Co{sub 2}Fe{sub 2} and Al{sub 86}Ni{sub 6}Y{sub 4.5}Co{sub 2}La{sub 1.5}, have been investigated using differential scanning calorimetry (DSC), X-ray diffraction (XRD) and electron microscopy. Both alloy powders show a distinct three-stage crystallization process with a similar gap of {approx}75 K between the onset crystallization temperature (T{sub x}) and the second crystallization temperature. Crystallization occurs by the precipitation and growth of fcc-Al, without intermetallic formation. The apparent activation energy for each stage of crystallization was determined from DSC analyses and the phases resulting from each crystallization stage were identified by XRD and electron microscopy. The critical cooling rate for each alloy powder was calculated from the DSC data. These results are necessary to inform the consolidation of amorphous powder particles of Al{sub 85}Ni{sub 5}Y{sub 6}Co{sub 2}Fe{sub 2} or Al{sub 86}Ni{sub 6}Y{sub 4.5}Co{sub 2}La{sub 1.5} into thick (>1 mm) metallic glass components.

  2. Elastico-mechanoluminescence and crystal-structure relationships in persistent luminescent materials and II–VI semiconductor phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Chandra, B.P., E-mail: bpchandra4@yahoo.co.in [School of Studies in Physics and Astrophysics, Pt. Ravishankar Shukla University, Raipur 492010, Chattisgarh (India); Chandra, V.K. [Department of Electrical and Electronics Engineering, Chhatrapati Shivaji Institute of Technology, Shivaji Nagar, Kolihapuri, Durg 491001, Chattisgarh (India); Jha, Piyush [Department of Applied Physics, Raipur Institute of Technology, Chhatauna, Mandir Hasuad, Raipur 492101, Chattisgarh (India)

    2015-04-15

    Elastico-mechanoluminescence (EML) has recently attracted the attention of a large number of researchers because of its potential in different types of mechano-optical devices. For understanding the mechanism of EML the relationships between elastico-mechanoluminescence (EML) and crystal-structure of a large number of persistent luminescent materials and II–VI semiconductor phosphors known to date are investigated. It is found that, although most of the non-centrosymmetric crystals exhibit EML, certain non-centrosymmetric crystals do not show EML. Whereas, many centrosymmetric crystals do not exhibit EML, certain centrosymmetric crystals exhibit EML. Piezoelectric ZnS:Cu,Cl single crystals do not show EML, but piezoelectric ZnS:Cu,Cl microcrystalline phosphors show very intense EML. Piezoelectric single crystals of undoped ZnS do not show EML. It seems that EML is related to local piezoelectrification near the impurities in crystals where piezoelectric constant is high. Suitable piezoelectric field near the local piezoelectric region and stable charge carriers in traps are required for appearance of EML. The EML of persistent luminescent materials and II–VI semiconductor phosphors can be understood on the basis of piezoelectrically-induced trap-depth reduction model of EML. Using suitable dopants both in non-centrosymmetric and centrosymmetric crystals intense elastico-mechanoluminescent materials emitting desired colours can be tailored, which may find applications in several mechano-optical devices.

  3. Elastico-mechanoluminescence and crystal-structure relationships in persistent luminescent materials and II–VI semiconductor phosphors

    International Nuclear Information System (INIS)

    Chandra, B.P.; Chandra, V.K.; Jha, Piyush

    2015-01-01

    Elastico-mechanoluminescence (EML) has recently attracted the attention of a large number of researchers because of its potential in different types of mechano-optical devices. For understanding the mechanism of EML the relationships between elastico-mechanoluminescence (EML) and crystal-structure of a large number of persistent luminescent materials and II–VI semiconductor phosphors known to date are investigated. It is found that, although most of the non-centrosymmetric crystals exhibit EML, certain non-centrosymmetric crystals do not show EML. Whereas, many centrosymmetric crystals do not exhibit EML, certain centrosymmetric crystals exhibit EML. Piezoelectric ZnS:Cu,Cl single crystals do not show EML, but piezoelectric ZnS:Cu,Cl microcrystalline phosphors show very intense EML. Piezoelectric single crystals of undoped ZnS do not show EML. It seems that EML is related to local piezoelectrification near the impurities in crystals where piezoelectric constant is high. Suitable piezoelectric field near the local piezoelectric region and stable charge carriers in traps are required for appearance of EML. The EML of persistent luminescent materials and II–VI semiconductor phosphors can be understood on the basis of piezoelectrically-induced trap-depth reduction model of EML. Using suitable dopants both in non-centrosymmetric and centrosymmetric crystals intense elastico-mechanoluminescent materials emitting desired colours can be tailored, which may find applications in several mechano-optical devices

  4. Functional organic materials based on polymerized liquid-crystal monomers: supramolecular hydrogen-bonded systems.

    Science.gov (United States)

    Broer, Dirk J; Bastiaansen, Cees M W; Debije, Michael G; Schenning, Albertus P H J

    2012-07-16

    Functional organic materials are of great interest for a variety of applications. To obtain precise functional properties, well-defined hierarchically ordered supramolecular materials are crucial. The self-assembly of liquid crystals has proven to be an extremely useful tool in the development of well-defined nanostructured materials. We have chosen the illustrative example of photopolymerizable hydrogen-bonding mesogens to show that a wide variety of functional materials can be made from a relatively simple set of building blocks. Upon mixing these compounds with other reactive mesogens, nematic, chiral nematic, and smectic or columnar liquid-crystalline phases can be formed that can be applied as actuators, sensors and responsive reflectors, and nanoporous membranes, respectively. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Binary iron sulfides as anode materials for rechargeable batteries: Crystal structures, syntheses, and electrochemical performance

    Science.gov (United States)

    Xu, Qian-Ting; Li, Jia-Chuang; Xue, Huai-Guo; Guo, Sheng-Ping

    2018-03-01

    Effective utilization of energy requires the storage and conversion device with high ability. For well-developed lithium ion batteries (LIBs) and highly developing sodium ion batteries (SIBs), this ability especially denotes to high energy and power densities. It's believed that the capacity of a full cell is mainly contributed by anode materials. So, to develop inexpensive anode materials with high capacity are meaningful for various rechargeable batteries' better applications. Iron is a productive element in the crust, and its oxides, sulfides, fluorides, and oxygen acid salts are extensively investigated as electrode materials for batteries. In view of the importance of electrode materials containing iron, this review summarizes the recent achievements on various binary iron sulfides (FeS, FeS2, Fe3S4, and Fe7S8)-type electrodes for batteries. The contents are mainly focused on their crystal structures, synthetic methods, and electrochemical performance. Moreover, the challenges and some improvement strategies are also discussed.

  6. Theoretical Studies on the Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials

    Energy Technology Data Exchange (ETDEWEB)

    Ching, Wai-Yim

    2012-01-14

    This project is a continuation of a long program supported by the Office of Basic Energy Science in the Office of Science of DOE for many years. The final three-year continuation started on November 1, 2005 with additional 1 year extension to October 30, 2009. The project was then granted a two-year No Cost Extension which officially ended on October 30, 2011. This report covers the activities within this six year period with emphasis on the work completed within the last 3 years. A total of 44 papers with acknowledgement to this grant were published or submitted. The overall objectives of this project are as follows. These objectives have been evolved over the six year period: (1) To use the state-of-the-art computational methods to investigate the electronic structures of complex ceramics and other novel crystals. (2) To further investigate the defects, surfaces/interfaces and microstructures in complex materials using large scale modeling. (3) To extend the study on ceramic materials to more complex bioceramic crystals. (4) To initiate the study on soft condensed matters including water and biomolecules. (5) To focus on the spectroscopic studies of different materials especially on the ELNES and XANES spectral calculations and their applications related to experimental techniques. (6) To develop and refine computational methods to be effectively executed on DOE supercomputers. (7) To evaluate mechanical properties of different crystals and those containing defects and relate them to the fundamental electronic structures. (8) To promote and publicize the first-principles OLCAO method developed by the PI (under DOE support for many years) for applications to large complex material systems. (9) To train a new generation of graduate students and postdoctoral fellows in modern computational materials science and condensed matter physics. (10) To establish effective international and domestic collaborations with both experimentalists and theorists in materials

  7. Ultrasensitive Sensing Material Based on Opal Photonic Crystal for Label-Free Monitoring of Transferrin.

    Science.gov (United States)

    Wu, Enqi; Peng, Yuan; Zhang, Xihao; Bai, Jialei; Song, Yanqiu; He, Houluo; Fan, Longxing; Qu, Xiaochen; Gao, Zhixian; Liu, Ying; Ning, Baoan

    2017-02-22

    A new opal photonic crystal (PC) sensing material, allowing label-free detection of transferrin (TRF), is proposed in the current study. This photonic crystal was prepared via a vertical convective self-assembly method with monodisperse microspheres polymerized by methyl methacrylate (MMA) and 3-acrylamidophenylboronic acid (AAPBA). FTIR, TG, and DLS were used to characterize the components and particle size of the monodisperse microspheres. SEM was used to observe the morphology of the PC. The diffraction peak intensity decreases as the TRF concentration increase. This was due to the combination of TRF to the boronic acid group of the photonic crystal. After condition optimization, a standard curve was obtained and the linear range of TRF concentration was from 2 × 10 -3 ng/mL to 200 ng/mL. Measurement of TRF concentration in simulated urine sample was also investigated using the sensing material. The results indicated that the PC provided a cheap, label-free, and easy-to-use alternative for TRF determination in clinical diagnostics.

  8. DiSC-OPAL

    DEFF Research Database (Denmark)

    Kemal, Mohammed Seifu; Pedersen, Rasmus; Iov, Florin

    2017-01-01

    of such systems. The simulation tool should be able to model Electrical Grid and flexible assets with different time scales and resolution levels fulfilling specific functionalities. In this paper DiSC-OPAL, an OPAL-RT compatible toolbox library for modelling of assets is presented. The library is suitable...

  9. SC tuning fork

    CERN Document Server

    The tuning fork used to modulate the radiofrequency system of the synchro cyclotron (SC) from 1957 to 1973. This piece is an unused spare part. The SC was the 1st accelerator built at CERN. It operated from August 1957 until it was closed down at the end of 1990. In the SC the magnetic field did not change with time, and the particles were accelerated in successive pulses by a radiofrequency voltage of some 20kV which varied in frequency as they spiraled outwards towards the extraction radius. The frequency varied from 30MHz to about 17Mz in each pulse. The tuning fork vibrated at 55MHz in vacuum in an enclosure which formed a variable capacitor in the tuning circuit of the RF system, allowing the RF to vary over the appropriate range to accelerate protons from the centre of the macine up to 600Mev at extraction radius. In operation the tips of the tuning fork blade had an amplitude of movement of over 1 cm. The SC accelerator underwent extensive improvements from 1973 to 1975, including the installation of a...

  10. Pyrolysis characteristics and pyrolysis products separation for recycling organic materials from waste liquid crystal display panels

    International Nuclear Information System (INIS)

    Wang, Ruixue; Xu, Zhenming

    2016-01-01

    Highlights: • Pyrolysis characteristics are conducted for a better understanding of LCDs pyrolysis. • Optimum design is developed which is significant to guide the further industrial process. • Acetic acid and TPP are recycled and separated. - Abstract: Waste liquid crystal display (LCD) panels mainly contain inorganic materials (glass substrate with indium-tin oxide film), and organic materials (polarizing film and liquid crystal). The organic materials should be removed beforehand since the organic matters would hinder the indium recycling process. In the present study, pyrolysis process is used to remove the organic materials and recycle acetic as well as and triphenyl phosphate (TPP) from waste LCD panels in an environmental friendly way. Several highlights of this study are summarized as follows: (i) Pyrolysis characteristics and pyrolysis kinetics analysis are conducted which is significant to get a better understanding of the pyrolysis process. (ii) Optimum design is developed by applying Box–Behnken Design (BBD) under response surface methodology (RSM) for engineering application which is significant to guide the further industrial recycling process. The oil yield could reach 70.53 wt% and the residue rate could reach 14.05 wt% when the pyrolysis temperature is 570 °C, nitrogen flow rate is 6 L min"−"1 and the particle size is 0.5 mm. (iii) Furthermore, acetic acid and TPP are recycled, and then separated by rotary evaporation, which could reduce the consumption of fossil energy for producing acetic acid, and be reused in electronics manufacturing industry.

  11. Pyrolysis characteristics and pyrolysis products separation for recycling organic materials from waste liquid crystal display panels

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ruixue; Xu, Zhenming, E-mail: zmxu@sjtu.edu.cn

    2016-01-25

    Highlights: • Pyrolysis characteristics are conducted for a better understanding of LCDs pyrolysis. • Optimum design is developed which is significant to guide the further industrial process. • Acetic acid and TPP are recycled and separated. - Abstract: Waste liquid crystal display (LCD) panels mainly contain inorganic materials (glass substrate with indium-tin oxide film), and organic materials (polarizing film and liquid crystal). The organic materials should be removed beforehand since the organic matters would hinder the indium recycling process. In the present study, pyrolysis process is used to remove the organic materials and recycle acetic as well as and triphenyl phosphate (TPP) from waste LCD panels in an environmental friendly way. Several highlights of this study are summarized as follows: (i) Pyrolysis characteristics and pyrolysis kinetics analysis are conducted which is significant to get a better understanding of the pyrolysis process. (ii) Optimum design is developed by applying Box–Behnken Design (BBD) under response surface methodology (RSM) for engineering application which is significant to guide the further industrial recycling process. The oil yield could reach 70.53 wt% and the residue rate could reach 14.05 wt% when the pyrolysis temperature is 570 °C, nitrogen flow rate is 6 L min{sup −1} and the particle size is 0.5 mm. (iii) Furthermore, acetic acid and TPP are recycled, and then separated by rotary evaporation, which could reduce the consumption of fossil energy for producing acetic acid, and be reused in electronics manufacturing industry.

  12. Single-crystal films of a combination of materials (co-crystal) involving DAST and IR-125 for electro-optic applications

    Science.gov (United States)

    Narayanan, A.; Titus, J.; Rajagopalan, H.; Vippa, P.; Thakur, M.

    2006-03-01

    Single-crystal film of DAST (4'-dimethylamino-N-methyl-4-stilbazolium tosylate) has been shown [1] to have exceptionally large electro-optic coefficients (r11 ˜ 770 pm/V at 633 nm). In this report, single crystal film of a combination of materials (co-crystal) involving DAST and a dye molecule IR-125 will be discussed. Modified shear method was used to prepare the co-crystal films. The film has been characterized using polarized optical microscopy, optical absorption spectroscopy and x-ray diffraction. The optical absorption spectrum has two major bands: one at about 350--600 nm corresponding to DAST and the other at about 600-900 nm corresponding to IR-125. The x-ray diffraction results show peaks involving the presence of DAST and IR-125 within the co-crystal film. Since the co-crystal has strong absorption at longer wavelengths it is expected to show higher electro-optic coefficients at longer wavelengths. Preliminary measurements at 1.55 μm indicate a high electro-optic coefficient of the co-crystal film. [1] Swamy, Kutty, Titus, Khatavkar, Thakur, Appl. Phys. Lett. 2004, 85, 4025; Kutty, Thakur, Appl. Phys. Lett. 2005, 87, 191111.

  13. Effects of material non-linearity on the residual stresses in a dendritic silicon crystal ribbon

    Science.gov (United States)

    Ray, Sujit K.; Utku, Senol

    1990-01-01

    Thermal stresses developed in a dendritic silicon crystal ribbon have been shown to cause plastic deformation and residual stresses in the ribbon. This paper presents an implementation of a numerical model proposed for thermoelastoplastic behavior of a material. The model has been used to study the effects of plasticity of silicon on the residual stresses. The material properties required to implement this model are all assumed, and the response of the material to the variations in these assumed parameters of the constitutive law and in the finite element mesh is investigated. The steady state growth process is observed to be periodic with nonzero residual stresses. Numerical difficulties are also encountered in the computer solution process, resulting in sharp jumps and large oscillations in the stress responses.

  14. Band structure of comb-like photonic crystals containing meta-materials

    Science.gov (United States)

    Weng, Yi; Wang, Zhi-Guo; Chen, Hong

    2007-09-01

    We study the transmission properties and band structure of comb-like photonic crystals (PC) with backbones constructed of meta-materials (negative-index materials) within the frame of the interface response theory. The result shows the existence of a special band gap at low frequency. This gap differs from the Bragg gaps in that it is insensitive to the geometrical scaling and disorder. In comparison with the zero-average-index gap in one-dimensional PC made of alternating positive- and negative-index materials, the gap is obviously deeper and broader, given the same system parameters. In addition, the behavior of its gap-edges is also different. One gap-edge is decided by the average permittivity whereas the other is only subject to the changing of the permeability of the backbone. Due to this asymmetry of the two gap-edges, the broadening of the gap could be realized with much freedom and facility.

  15. Ultrafast characterization of phase-change material crystallization properties in the melt-quenched amorphous phase.

    Science.gov (United States)

    Jeyasingh, Rakesh; Fong, Scott W; Lee, Jaeho; Li, Zijian; Chang, Kuo-Wei; Mantegazza, Davide; Asheghi, Mehdi; Goodson, Kenneth E; Wong, H-S Philip

    2014-06-11

    Phase change materials are widely considered for application in nonvolatile memories because of their ability to achieve phase transformation in the nanosecond time scale. However, the knowledge of fast crystallization dynamics in these materials is limited because of the lack of fast and accurate temperature control methods. In this work, we have developed an experimental methodology that enables ultrafast characterization of phase-change dynamics on a more technologically relevant melt-quenched amorphous phase using practical device structures. We have extracted the crystallization growth velocity (U) in a functional capped phase change memory (PCM) device over 8 orders of magnitude (10(-10) 10(8) K/s), which reveals the extreme fragility of Ge2Sb2Te5 in its supercooled liquid phase. Furthermore, these crystallization properties were studied as a function of device programming cycles, and the results show degradation in the cell retention properties due to elemental segregation. The above experiments are enabled by the use of an on-chip fast heater and thermometer called as microthermal stage (MTS) integrated with a vertical phase change memory (PCM) cell. The temperature at the PCM layer can be controlled up to 600 K using MTS and with a thermal time constant of 800 ns, leading to heating rates ∼10(8) K/s that are close to the typical device operating conditions during PCM programming. The MTS allows us to independently control the electrical and thermal aspects of phase transformation (inseparable in a conventional PCM cell) and extract the temperature dependence of key material properties in real PCM devices.

  16. Photonic band structures in one-dimensional photonic crystals containing Dirac materials

    International Nuclear Information System (INIS)

    Wang, Lin; Wang, Li-Gang

    2015-01-01

    We have investigated the band structures of one-dimensional photonic crystals (1DPCs) composed of Dirac materials and ordinary dielectric media. It is found that there exist an omnidirectional passing band and a kind of special band, which result from the interaction of the evanescent and propagating waves. Due to the interface effect and strong dispersion, the electromagnetic fields inside the special bands are strongly enhanced. It is also shown that the properties of these bands are invariant upon the lattice constant but sensitive to the resonant conditions

  17. Correlation between hierarchical structure of crystal networks and macroscopic performance of mesoscopic soft materials and engineering principles.

    Science.gov (United States)

    Lin, Naibo; Liu, Xiang Yang

    2015-11-07

    This review examines how the concepts and ideas of crystallization can be extended further and applied to the field of mesoscopic soft materials. It concerns the structural characteristics vs. the macroscopic performance, and the formation mechanism of crystal networks. Although this subject can be discussed in a broad sense across the area of mesoscopic soft materials, our main focus is on supramolecular materials, spider and silkworm silks, and biominerals. First, the occurrence of a hierarchical structure, i.e. crystal network and domain network structures, will facilitate the formation kinetics of mesoscopic phases and boost up the macroscopic performance of materials in some cases (i.e. spider silk fibres). Second, the structure and performance of materials can be correlated in some way by the four factors: topology, correlation length, symmetry/ordering, and strength of association of crystal networks. Moreover, four different kinetic paths of crystal network formation are identified, namely, one-step process of assembly, two-step process of assembly, mixed mode of assembly and foreign molecule mediated assembly. Based on the basic mechanisms of crystal nucleation and growth, the formation of crystal networks, such as crystallographic mismatch (or noncrystallographic) branching (tip branching and fibre side branching) and fibre/polymeric side merging, are reviewed. This facilitates the rational design and construction of crystal networks in supramolecular materials. In this context, the (re-)construction of a hierarchical crystal network structure can be implemented by thermal, precipitate, chemical, and sonication stimuli. As another important class of soft materials, the unusual mechanical performance of spider and silkworm silk fibres are reviewed in comparison with the regenerated silk protein derivatives. It follows that the considerably larger breaking stress and unusual breaking strain of spider silk fibres vs. silkworm silk fibres can be interpreted

  18. Hybrid silica luminescent materials based on lanthanide-containing lyotropic liquid crystal with polarized emission

    Energy Technology Data Exchange (ETDEWEB)

    Selivanova, N.M., E-mail: natsel@mail.ru [Kazan National Research Technological University, 68 Karl Marx Str., Kazan 420015 (Russian Federation); Vandyukov, A.E.; Gubaidullin, A.T. [A.E. Arbuzov Institute of Organic and Physical Chemistry of the Kazan Scientific Center of the Russian Academy of Sciences, 8 Acad. Arbuzov Str., Kazan 420088 (Russian Federation); Galyametdinov, Y.G. [Kazan National Research Technological University, 68 Karl Marx Str., Kazan 420015 (Russian Federation)

    2014-11-14

    This paper represents the template method for synthesis of hybrid silica films based on Ln-containing lyotropic liquid crystal and characterized by efficient luminescence. Luminescence films were prepared in situ by the sol–gel processes. Lyotropic liquid crystal (LLC) mesophases C{sub 12}H{sub 25}O(CH{sub 2}CH{sub 2}O){sub 10}H/Ln(NO{sub 3}){sub 3}·6H{sub 2}O/H{sub 2}O containing Ln (III) ions (Dy, Tb, Eu) were used as template. Polarized optical microscopy, X-ray powder diffraction, and FT-IR-spectroscopy were used for characterization of liquid crystal mesophases and hybrid films. The morphology of composite films was studied by the atomic force microscopy method (AFM). The optical properties of the resulting materials were evaluated. It was found that hybrid silica films demonstrate significant increase of their lifetime in comparison with an LLC system. New effects of linearly polarized emission revealed for Ln-containing hybrid silica films. Polarization in lanthanide-containing hybrid composites indicates that silica precursor causes orientation of emitting ions. - Highlights: • We suggest a new simple approach for creating luminescence hybrid silica films. • Ln-containing hybrid silica films demonstrate yellow, green and red emissions. • Tb(III)-containing hybrid film have a high lifetime. • We report effects of linearly polarized emission in hybrid film.

  19. Material modifications in lithium niobate and lithium tantalate crystals by ion irradiation

    International Nuclear Information System (INIS)

    Raeth, Niels Lennart

    2017-01-01

    The artificially produced crystals lithium niobate (LiNbO 3 ) and the closely related lithium tantalate (LiTaO 3 ) are proven starting materials for producing active and passive devices that can guide, amplify, switch and process light. For this purpose, it is often necessary to be able to influence the refractive index of the substrate targeted, which is possible in addition to other methods by irradiation of the materials with fast light ions. In this work, lithium niobate and lithium tantalate crystals are irradiated with alpha particles, 3 He ions, deuterons, and protons at projectile energies of up to 14 MeV / nucleon. Energy and crystal thickness are chosen so that the projectiles penetrate the entire sample and are not implanted. All isotopes responsible for the unwanted nuclear activation of the crystals due to the irradiation are relatively short-lived and overall the activation decreases fast enough to allow the safe handling of the irradiated samples after a storage period of a few days to a few weeks. The refractive index changes produced in lithium niobate and lithium tantalate by irradiation with the different projectiles are determined interferometrically and can also be measured by suitable choice of the sample geometry as a function of the ion penetration depth: In LiNbO 3 the ordinary refractive index decreases, the extraordinary increases equally. In LiTaO 3 , both the ordinary and the extraordinary refractive indices decrease as a result of the irradiation; the ordinary refractive index change is many times stronger than the extraordinary one. There is an enormous long-term stability at room temperature for both crystal systems: Even after eleven (LiNbO 3 ) or three (LiTaO 3 ) years, no decrease in the ion beam-induced refractive index change can be observed. The ion beam-induced refractive index changes are probably the result of atomic displacements such as vacancies, defect clusters or ''latent tracks''. An explanation for

  20. Enhanced ductility of surface nano-crystallized materials by modulating grain size gradient

    International Nuclear Information System (INIS)

    Li, Jianjun; Soh, A K

    2012-01-01

    Surface nano-crystallized (SNC) materials with a graded grain size distribution on their surfaces have been attracting increasing scientific interest over the past few decades due to their good synergy of high strength and high ductility. However, to date most of the existing studies have focused on the individual contribution of three different aspects, i.e. grain size gradient (GSG), work-hardened region and surface compressive residual stresses, which were induced by surface severe plastic deformation processes, to the improved strength of SNC materials as compared with that of their coarse grained (CG) counterparts. And the ductility of these materials has hardly been studied. In this study, a combination of theoretical analysis and finite element simulations was used to investigate the role of GSG in tuning the ductility of SNC materials. It was found that the ductility of an SNC material can be comparable to that of its CG counterpart, while it simultaneously possessed a much higher strength than its CG core if the optimal GSG thickness and grain size of the topmost phase were adopted. A design map that can be used as a guideline for fabrication of SNC materials was also plotted. Our predictions were also compared with the corresponding experimental results. (paper)

  1. Gadolinium scandium germanide, Gd2Sc3Ge4

    Directory of Open Access Journals (Sweden)

    Sumohan Misra

    2009-04-01

    Full Text Available Gd2Sc3Ge4 adopts the orthorhombic Pu5Rh4-type structure. The crystal structure contains six sites in the asymmetric unit: two sites are statistically occupied by rare-earth atoms with Gd:Sc ratios of 0.967 (4:0.033 (4 and 0.031 (3:0.969 (3, one site (.m. symmetry is occupied by Sc atoms, and three distinct sites (two of which with .m. symmetry are occupied by Ge atoms. The rare-earth atoms form two-dimensional slabs with Ge atoms occupying the trigonal-prismatic voids.

  2. Size effects on negative thermal expansion in cubic ScF{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Yang, C.; Guo, X. G.; Zhang, K. [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); University of Science and Technology of China, Hefei 230026 (China); Tong, P., E-mail: tongpeng@issp.ac.cn; Lin, J. C.; Wang, M.; Wu, Y.; Lin, S.; Xu, W.; Song, W. H. [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Huang, P. C. [University of Science and Technology of China, Hefei 230026 (China); High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031 (China); Sun, Y. P., E-mail: ypsun@issp.ac.cn [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031 (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China)

    2016-07-11

    Scandium trifluoride (ScF{sub 3}), adopting a cubic ReO{sub 3}-type structure at ambient pressure, undergoes a pronounced negative thermal expansion (NTE) over a wide range of temperatures (10 K–1100 K). Here, we report the size effects on the NTE properties of ScF{sub 3}. The magnitude of NTE is reduced with diminishing the crystal size. As revealed by the specific heat measurement, the low-energy phonon vibrations which account for the NTE behavior are stiffened as the crystal size decreases. With decreasing the crystal size, the peaks in high-energy X-ray pair distribution function (PDF) become broad, which cannot be illuminated by local symmetry breaking. Instead, the broadened PDF peaks are strongly indicative of enhanced atomic displacements which are suggested to be responsible for the stiffening of NTE-related lattice vibrations. The present study suggests that the NTE properties of ReO{sub 3}-type and other open-framework materials can be effectively adjusted by controlling the crystal size.

  3. Growth and characterizaion of urea p-nitrophenol crystal: an organic nonlinear optical material for optoelectronic device application

    Science.gov (United States)

    Suresh, A.; Manikandan, N.; Jauhar, RO. MU.; Murugakoothan, P.; Vinitha, G.

    2018-06-01

    Urea p-nitrophenol, an organic nonlinear optical crystal was synthesized and grown adopting slow evaporation and seed rotation method. Single crystal X-ray diffraction study confirmed the formation of the desired crystal. High resolution X-ray diffraction study showed the defect nature of the crystal. The presence of functional groups in the material was confirmed by FTIR analysis. UV-Vis-NIR study indicates that the grown crystal has a wider transparency region with the lower cutoff wavelength at 423 nm. The grown crystal is thermally stable up to 120 °C as assessed by TG-DTA analysis. The optical homogeneity of the grown crystal was confirmed by birefringence study. The 1064 nm Nd-YAG laser was used to obtain laser induced surface damage threshold which was found to be 0.38, 0.25 and 0.33 GW/cm2 for (0 1 0), (1 1 - 1) and (0 1 1) planes, respectively. The dielectric study was performed to find the charge distribution inside the crystal. The hardness property of the titular material has been found using Vicker's microhardness study. The optical nonlinearity obtained from third order nonlinear optical measurements carried out using Z-scan technique showed that these samples could be exploited for optical limiting studies.

  4. Electronic structure and magnetic properties of Sc doped EuO thin films

    Energy Technology Data Exchange (ETDEWEB)

    Reisner, Andreas; Altendorf, Simone; Chang, Chun-Fu; Tjeng, Liu Hao [Max-Planck-Institute for Chemical Physics of Solids, Noethnitzer Str.40, 01187 Dresden (Germany); Lin, Hong-Ji; Chen, Chien-Te [National Synchrotron Radiation Research Center, Hsin-Ann Road, 30076 Hsinchu, Taiwan (China)

    2013-07-01

    Europium monoxide is a ferromagnetic semiconductor with a Curie temperature T{sub C} of 69 K. Upon doping the material can show an increase of the Curie temperature, a metal-to-insulator transition and a high spin polarization of the charge carriers. Applying pressure can also enhance T{sub C}. Mostly other trivalent rare earth metals are used as dopant. Here we set out to explore the possibility of using transition metals as dopants. As a start we focus on the non magnetic Sc ions. We are able to achieve excellent crystalline growth of Sc-doped EuO thin films on YSZ (001) substrates using molecular beam epitaxy. We report our results on the crystal structure as characterized by RHEED and LEED, the electronic structure as determined by XPS and ARPES, and on the magnetic properties as measured by SQUID.

  5. Coordination polymers of scandium sulfate. Crystal structures of (H2Bipy)[Sc(H2O)(SO4)2]2·2H2O and (H2Bipy)[HSO4]2

    International Nuclear Information System (INIS)

    Petrosyants, S.P.; Ilyukhin, A.B.

    2005-01-01

    Compounds with general formula Cat x [Sc(H 2 O) z (SO 4 ) y ]·nH 2 O (Cat=NH 4 , H 2 Bipy (Bipy - 4,4'-bipyridine), HEdp (Edp - ethylene dipyridine)) identified on element analysis data and IR spectra are synthesized. X-ray diffraction analysis of (H 2 Bipy)[Sc(H 2 O)(SO 4 ) 2 ] 2 ·2H 2 O shows that in structure of the compound chains of ScO 6 octahedron and SO 4 tetrahedrons are joined in bands by tridentate coordination of sulfate ions. Bands form skeleton in endless emptiness of which there are H 2 Bipy 2+ cations [ru

  6. Synthesis, crystal structure, growth, optical and third order nonlinear optical studies of 8HQ2C5N single crystal - An efficient third-order nonlinear optical material

    Energy Technology Data Exchange (ETDEWEB)

    Divya Bharathi, M.; Ahila, G.; Mohana, J. [Department of Physics, Presidency College, Chennai 600005 (India); Chakkaravarthi, G. [Department of Physics, CPCL Polytechnic College, Chennai 600068 (India); Anbalagan, G., E-mail: anbu24663@yahoo.co.in [Department of Nuclear Physics, University of Madras, Chennai 600025 (India)

    2017-05-01

    A neoteric organic third order nonlinear optical material 8-hydroxyquinolinium 2-chloro-5-nitrobenzoate dihydrate (8HQ2C5N) was grown by slow cooling technique using ethanol: water (1:1) mixed solvent. The calculated low value of average etch pit solidity (4.12 × 10{sup 3} cm{sup −2}) indicated that the title crystal contain less defects. From the single crystal X-ray diffraction data, it was endowed that 8HQ2C5N crystal belongs to the monoclinic system with centrosymmetric space group P2{sub 1}/c and the cell parameters values, a = 9.6546 (4) Ǻ, b = 7.1637(3) Ǻ, c = 24.3606 (12) Ǻ, α = γ = 90°, β = 92.458(2)° and volume = 1683.29(13) Ǻ{sup 3}. The FT-IR and FT-Raman spectrum were used to affirm the functional group of the title compound. The chemical structure of 8HQ2C5N was scrutinized by {sup 13}C and {sup 1}H NMR spectral analysis and thermal stability through the differential scanning calorimetry study. Using optical studies the lower cut-off wavelength and optical band gap of 8HQ2C5N were found to be 364 nm and 3.17 eV respectively. Using the single oscillator model suggested by Wemple – Didomenico, the oscillator energy (E{sub o}), the dispersion energy (E{sub d}) and static dielectric constant (ε{sub o}) were estimated. The third-order susceptibility were determined as Im χ{sup (3)} = 2.51 × 10{sup −5} esu and Re χ{sup (3)} = 4.46 × 10{sup −7} esu. The theoretical third-order nonlinear optical susceptibility χ{sup (3)} was calculated and the results were compared with experimental value. Photoluminescence spectrum of 8HQ2C5N crystal showed the yellow emission. The crystal had the single shot laser damage threshold of 5.562 GW/cm{sup 2}. Microhardness measurement showed that 8HQ2C5N belongs to a soft material category. - Highlights: • A new organic single crystals were grown and the crystal structure was reported. • Crystal possess, good transmittance, thermal and mechanical stability. • Single shot LDT value is found to be

  7. Organic field-effect transistors using single crystals

    International Nuclear Information System (INIS)

    Hasegawa, Tatsuo; Takeya, Jun

    2009-01-01

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

  8. Organic field-effect transistors using single crystals

    Directory of Open Access Journals (Sweden)

    Tatsuo Hasegawa and Jun Takeya

    2009-01-01

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

  9. Two anionically derivatized scandium oxoselenates(IV): ScF[SeO3] and Sc2O2[SeO3

    Science.gov (United States)

    Greiner, Stefan; Chou, Sheng-Chun; Schleid, Thomas

    2017-02-01

    Scandium fluoride oxoselenate(IV) ScF[SeO3] and scandium oxide oxoselenate(IV) Sc2O2[SeO3] could be synthesized through solid-state reactions. ScF[SeO3] was obtained phase-pure, by reacting mixtures of Sc2O3, ScF3 and SeO2 (molar ratio: 1:1:3) together with CsBr as fluxing agent in corundum crucibles embedded into evacuated glassy silica ampoules after firing at 700 °C for seven days. Sc2O2[SeO3] first emerged as by-product during the attempts to synthesize ScCl[SeO3] following aforementioned synthesis route and could later be reproduced from appropriate Sc2O3/SeO3 mixtures. ScF[SeO3] crystallizes monoclinically in space group P21/m with a=406.43(2), b =661.09(4), c=632.35(4) pm, β=93.298(3)° and Z=2. Sc2O2[SeO3] also crystallizes in the monoclinic system, but in space group P21/n with a=786.02(6), b=527.98(4), c=1086.11(8) pm, β=108.672(3)° for Z=4. The crystal structures of both compounds are strongly influenced by the stereochemically active lone pairs of the ψ1-tetrahedral [SeO3]2- anions. They also show partial structures, where the derivatizing F- or O2- anions play an important role. For ScF[SeO3] chains of the composition 2+∞ 1[FS c 2 / 2 ] form from connected [FSc2]5+ dumbbells, while [OSc3]7+ pyramids and [OSc4]10+ tetrahedra units are condensed to layers according to 2+ ∞ 2[O2Sc2 ] in Sc2O2[SeO3].

  10. Structuring of material parameters in lithium niobate crystals with low-mass, high-energy ion radiation

    Science.gov (United States)

    Peithmann, K.; Eversheim, P.-D.; Goetze, J.; Haaks, M.; Hattermann, H.; Haubrich, S.; Hinterberger, F.; Jentjens, L.; Mader, W.; Raeth, N. L.; Schmid, H.; Zamani-Meymian, M.-R.; Maier, K.

    2011-10-01

    Ferroelectric lithium niobate crystals offer a great potential for applications in modern optics. To provide powerful optical components, tailoring of key material parameters, especially of the refractive index n and the ferroelectric domain landscape, is required. Irradiation of lithium niobate crystals with accelerated ions causes strong structured modifications in the material. The effects induced by low-mass, high-energy ions (such as 3He with 41 MeV, which are not implanted, but transmit through the entire crystal volume) are reviewed. Irradiation yields large changes of the refractive index Δn, improved domain engineering capability within the material along the ion track, and waveguiding structures. The periodic modification of Δn as well as the formation of periodically poled lithium niobate (PPLN) (supported by radiation damage) is described. Two-step knock-on displacement processes, 3He→Nb and 3He→O causing thermal spikes, are identified as origin for the material modifications.

  11. Towards a more effective and reliable salt crystallization test for porous building materials: state of the art

    Czech Academy of Sciences Publication Activity Database

    Lubelli, B.; Cnudde, V.; Diaz-Goncalves, T.; Franzoni, E.; van Hees, R.; Ioannou, I.; Menéndez, B.; Nunes, Cristiana Lara; Siedel, H.; Stefanidou, M.; Verges-Belmin, V.; Viles, H.

    2018-01-01

    Roč. 51, č. 2 (2018), č. článku 55. ISSN 1359-5997 Keywords : literature review * salt damage * salt crystallization test * porous materials * RILEM Subject RIV: AL - Art, Architecture, Cultural Heritage OBOR OECD: Materials engineering Impact factor: 2.607, year: 2016 https://link.springer.com/article/10.1617/s11527-018-1180-5

  12. Novel phthalocyanine crystals as a conductive filler in crosslinked epoxy materials: Fractal particle networks and low percolation thresholds

    NARCIS (Netherlands)

    Chen, Zhe; Brokken-Zijp, J.C.M.; Michels, M.A.J.

    2006-01-01

    Novel nanosized crystals of aquocyanophthalocyaninatocobalt (III) (Phthalcon 11) were used as a conductive filler in crosslinked epoxy materials. The crosslinked composite materials had a very low percolation threshold (c 0.9 vol %). The relationship between the volume conductivity and the filler

  13. Ultrafast crystallization and thermal stability of In-Ge doped eutectic Sb70Te30 phase change material

    International Nuclear Information System (INIS)

    Lee Meiling; Miao Xiangshui; Ting Leehou; Shi Luping

    2008-01-01

    Effect of In and Ge doping in the form of In 2 Ge 8 Sb 85 Te 5 on optical and thermal properties of eutectic Sb 70 Te 30 alloys was investigated. Crystalline structure of In 2 Ge 8 Sb 85 Te 5 phase change material consists of a mixture of phases. Thermal analysis shows higher crystallization temperature and activation energy for crystallization. Isothermal reflectivity-time measurement shows a growth-dominated crystallization mechanism. Ultrafast crystallization speed of 30 ns is realized upon irradiation by blue laser beam. The use of ultrafast and thermally stable In 2 Ge 8 Sb 85 Te 5 phase change material as mask layer in aperture-type super-resolution near-field phase change disk is realized to increase the carrier-to-noise ratio and thermal stability

  14. Quantitative Rheometry of Thin Soft Materials Using the Quartz Crystal Microbalance with Dissipation.

    Science.gov (United States)

    Sadman, Kazi; Wiener, Clinton G; Weiss, R A; White, Christopher C; Shull, Kenneth R; Vogt, Bryan D

    2018-03-20

    In the inertial limit, the resonance frequency of the quartz crystal microbalance (QCM) is related to the coupled mass on the quartz sensor through the Sauerbrey expression that relates the mass to the change in resonance frequency. However, when the thickness of the film is sufficiently large, the relationship becomes more complicated and both the frequency and damping of the crystal resonance must be considered. In this regime, a rheological model of the material must be used to accurately extract the adhered film's thickness, shear modulus, and viscoelastic phase angle from the data. In the present work we examine the suitability of two viscoelastic models, a simple Voigt model ( Physica Scripta 1999, 59, 391-396) and a more realistic power-law model ( Langmuir 2015, 31, 4008-4017), to extract the rheological properties of a thermoresponsive hydrogel film. By changing temperature and initial dry film thickness of the gel, the operation of QCM was traversed from the Sauerbrey limit, where viscous losses do not impact the frequency, through the regime where the QCM response is sensitive to viscoelastic properties. The density-shear modulus and the viscoelastic phase angle from the two models are in good agreement when the shear wavelength ratio, d/λ n , is in the range of 0.05-0.20, where d is the film thickness and λ n is the wavelength of the mechanical shear wave at the n th harmonic. We further provide a framework for estimating the physical properties of soft materials in the megahertz regime by using the physical behavior of polyelectrolyte complexes. This provides the user with an approximate range of allowable film thicknesses for accurate viscoelastic analysis with either model, thus enabling better use of the QCM-D in soft materials research.

  15. Academic Training - Pulsed SC Magnets

    CERN Multimedia

    Françoise Benz

    2006-01-01

    2005-2006 ACADEMIC TRAINING PROGRAMME LECTURE SERIES 2, 3, June 29, 30, 31 May, 1, 2 June 11:00-12:00 - Auditorium, bldg 500 Pulsed SC Magnets by M. Wilson Lecture 1. Introduction to Superconducting Materials Type 1,2 and high temperature superconductors; their critical temperature, field & current density. Persistent screening currents and the critical state model. Lecture 2. Magnetization and AC Loss How screening currents cause irreversible magnetization and hysteresis loops. Field errors caused by screening currents. Flux jumping. The general formulation of ac loss in terms of magnetization. AC losses caused by screening currents. Lecture 3. Twisted Wires and Cables Filamentary composite wires and the losses caused by coupling currents between filaments, the need for twisting. Why we need cables and how the coupling currents in cables contribute more ac loss. Field errors caused by coupling currents. Lecture 4. AC Losses in Magnets, Cooling and Measurement Summary of all loss mech...

  16. Systematic study of radiation hardness of single crystal CVD diamond material investigated with an Au beam and IBIC method

    Energy Technology Data Exchange (ETDEWEB)

    Pietraszko, Jerzy; Koenig, Wolfgang; Traeger, Michael [GSI, Darmstadt (Germany); Draveny, Antoine; Galatyuk, Tetyana [TU, Darmstadt (Germany); Grilj, Veljko [RBI, Zagreb (Croatia); Collaboration: HADES-Collaboration

    2016-07-01

    For the future high rate CBM experiment at FAIR a radiation hard and fast beam detector is required. The detector has to perform precise T0 measurement (σ<50 ps) and should also offer decent beam monitoring capability. These tasks can be performed by utilizing single-crystal Chemical Vapor Deposition (ScCVD) diamond based detector. A prototype, segmented, detector have been constructed and the properties of this detector have been studied with a high current density beam (about 3.10{sup 6}/s/mm{sup 2}) of 1.23 A GeV Au ions in HADES. The irradiated detector properties have been studied at RBI in Zagreb by means of IBIC method. Details of the design, the intrinsic properties of the detectors and their performance after irradiation with such beam are reported.

  17. High resolution diffraction imaging of mercuric iodide: Demonstration of the necessity for alternate crystal processing techniques for highly purified material

    International Nuclear Information System (INIS)

    Steiner, B.; Berg, L. van den; Laor, U.

    1995-01-01

    The overall crystalline lattice uniformity in recently available, highly purified mercuric iodide single crystals has been shown to be impacted by crystal handling techniques that were previously satisfactory. High resolution diffraction imaging of the surface regularity of crystals of various levels of purity and growth orientation shows: (1) that the newer materials have a generally lower level of precipitates, (2) that the incidence of these precipitates is now closely correlated with growth direction, and (3) that the deformation resistance and resulting sensitivity to crystal handling procedures are also closely correlated with these factors in this soft material. As a result, gentler cutting and polishing procedures have been developed and are shown to be effective in preserving overall lattice regularity in the new material. The polishing required to remove residual surface scratches affect the lattice orientation of the softer, precipitate-free regions, while not affecting those regions with detectable levels of precipitates. These results correlate closely with the electrical properties of devices made from these crystals. Mercuric iodide single crystals have proved to be particularly useful for x and γ ray detectors because their room temperature operation allow for simple, efficient, and compact instrumentation

  18. Growth and characterization of benzaldehyde 4-nitro phenyl hydrazone (BPH) single crystal: A proficient second order nonlinear optical material

    Science.gov (United States)

    Saravanan, M.; Abraham Rajasekar, S.

    2016-04-01

    The crystals (benzaldehyde 4-nitro phenyl hydrazone (BPH)) appropriate for NLO appliance were grown by the slow cooling method. The solubility and metastable zone width measurement of BPH specimen was studied. The material crystallizes in the monoclinic crystal system with noncentrosymmetric space group of Cc. The optical precision in the whole visible region was found to be excellent for non-linear optical claim. Excellence of the grown crystal is ascertained by the HRXRD and etching studies. Laser Damage Threshold and Photoluminescence studies designate that the grown crystal contains less imperfection. The mechanical behaviour of BPH sample at different temperatures was investigated to determine the hardness stability of the grown specimen. The piezoelectric temperament and the relative Second Harmonic Generation (for diverse particle sizes) of the material were also studied. The dielectric studies were executed at varied temperatures and frequencies to investigate the electrical properties. Photoconductivity measurement enumerates consummate of inducing dipoles due to strong incident radiation and also divulge the nonlinear behaviour of the material. The third order nonlinear optical properties of BPH crystals were deliberate by Z-scan method.

  19. Cholesteric Liquid Crystal Shells as Enabling Material for Information-Rich Design and Architecture.

    Science.gov (United States)

    Schwartz, Mathew; Lenzini, Gabriele; Geng, Yong; Rønne, Peter B; Ryan, Peter Y A; Lagerwall, Jan P F

    2018-05-14

    The responsive and dynamic character of liquid crystals (LCs), arising from their ability to self-organize into long-range ordered structures while maintaining fluidity, has given them a role as key enabling materials in the information technology that surrounds us today. Ongoing research hints at future LC-based technologies of entirely different types, for instance by taking advantage of the peculiar behavior of cholesteric liquid crystals (CLCs) subject to curvature. Spherical shells of CLC reflect light omnidirectionally with specific polarization and wavelength, tunable from the UV to the infrared (IR) range, with complex patterns arising when many of them are brought together. Here, these properties are analyzed and explained, and future application opportunities from an interdisciplinary standpoint are discussed. By incorporating arrangements of CLC shells in smart facades or vehicle coatings, or in objects of high value subject to counterfeiting, game-changing future uses might arise in fields spanning information security, design, and architecture. The focus here is on the challenges of a digitized and information-rich future society where humans increasingly rely on technology and share their space with autonomous vehicles, drones, and robots. © 2018 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Ice crystallization in porous building materials: assessing damage using real-time 3D monitoring

    Science.gov (United States)

    Deprez, Maxim; De Kock, Tim; De Schutter, Geert; Cnudde, Veerle

    2017-04-01

    Frost action is one of the main causes of deterioration of porous building materials in regions at middle to high latitudes. Damage will occur when the internal stresses due to ice formation become larger than the strength of the material. Hence, the sensitivity of the material to frost damage is partly defined by the structure of the solid body. On the other hand, the size, shape and interconnection of pores manages the water distribution in the building material and, therefore, the characteristics of the pore space control potential to form ice crystals (Ruedrich et al., 2011). In order to assess the damage to building materials by ice crystallization, lot of effort was put into identifying the mechanisms behind the stress build up. First of all, volumetric expansion of 9% (Hirschwald, 1908) during the transition of water to ice should be mentioned. Under natural circumstances, however, water saturation degrees within natural rocks or concrete cannot reach a damaging value. Therefore, linear growth pressure (Scherer, 1999), as well as several mechanisms triggered by water redistribution during freezing (Powers and Helmuth, 1953; Everett, 1961) are more likely responsible for damage due to freezing. Nevertheless, these theories are based on indirect observations and models and, thus, direct evidence that reveals the exact damage mechanism under certain conditions is still lacking. To obtain this proof, in-situ information needs to be acquired while a freezing process is performed. X-ray computed tomography has proven to be of great value in material research. Recent advances at the Ghent University Centre for Tomography (UGCT) have already allowed to dynamically 3D image crack growth in natural rock during freeze-thaw cycles (De Kock et al., 2015). A great potential to evaluate the different stress build-up mechanisms can be found in this imaging technique consequently. It is required to cover a range of materials with different petrophysical properties to achieve

  1. Quasiparticle excitations in valence-fluctuation materials: effects of band structure and crystal fields

    International Nuclear Information System (INIS)

    Brandow, B.H.

    1985-01-01

    Evidence is now quite strong that the elementary hybridization model is the correct way to understand the lattice-coherent Fermi liquid regime at very low temperatures. Many-body theory leads to significant renormalizations of the input parameters, and many of the band-theoretic channels for hybridization are suppressed by the combined effects of Hund's-rule coupling, crystal-field splitting, and the f-f Coulomb repulsion U. Some exploratory calculations based on this picture are described, and some inferences are drawn about the band structures of several heavy-fermion materials. These inferences can and should be tested by suitably modified band-theoretic calculations. We find evidence for a significant Baber-scattering contribution in the very-low-temperature resistivity. A new mechanism is proposed for crossover from the coherent Fermi-liquid regime to the incoherent dense-Kondo regime. 28 refs

  2. Polymorphous GdScO3 as high permittivity dielectric

    International Nuclear Information System (INIS)

    Schäfer, A.; Rahmanizadeh, K.; Bihlmayer, G.; Luysberg, M.; Wendt, F.; Besmehn, A.; Fox, A.

    2015-01-01

    Four different polymorphs of GdScO 3 are assessed theoretically and experimentally with respect to their suitability as a dielectric. The calculations carried out by density functional theory reveal lattice constants, band gaps and the energies of formation of three crystal phases. Experimentally all three crystal phases and the amorphous phase can be realized as thin films by pulsed laser deposition using various growth templates. Their respective crystal structures are confirmed by X-ray diffraction and transmission electron microscopy reflecting the calculated lattice constants. X-ray photoelectron spectroscopy unveils the band gaps of the different polymorphs of GdScO 3 which are above 5 eV for all films demonstrating good insulating properties. From capacitance voltage measurements, high permittivities of up to 27 for hexagonal GdScO 3 are deduced. - Highlights: • Different epitaxial polymorph phases of GdScO 3 were grown by pulsed laser deposition. • The cubic phase of GdScO 3 is reported for the first time. • All phases are proven to be useful for the use in silicon based and III–V based microelectronic devices.

  3. Study on reactor building structure using ultrahigh strength materials - Part 6: Tests for joints of SC-frames and PCa-panels

    International Nuclear Information System (INIS)

    Uchiyama, T.; Ishimura, K.; Takahashi, T.; Kei, T.

    1993-01-01

    A mixed structure composed of reinforced concrete precast panels and frames of steel beams and concrete filled steel tube columns using ultrahigh strength materials was proposed for reactor buildings. The paper describes the structural characteristics of the high tension bolt joints between the panels and the frames. (author)

  4. Analyses of significant features of L-Prolinium Picrate single crystal: An excellent material for non linear optical applications

    Energy Technology Data Exchange (ETDEWEB)

    Thukral, Kanika [Academy of Scientific and Innovative Research, CSIR- National Physical Laboratory, New Delhi, 110012 (India); CSIR-National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi, 110 012 (India); Vijayan, N., E-mail: nvijayan@nplindia.org [CSIR-National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi, 110 012 (India); Vij, Mahak [CSIR-National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi, 110 012 (India); Nagaraja, C.M. [Department of Chemistry, Indian Institute of Technology Ropar, Rupnagar, 140001, Punjab (India); Jayaramakrishnan, V. [Centro De Investigations En Optica, Loma del Bosque 115, Colonia Lomas del Campestre, León, Guanajuato, Código Postal, 37150 (Mexico); Jayalakshmy, M.S. [International and Inter University Centre for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kottayam, Kerala, 686560 (India); Kant, Rajni [Department of Physics and Electronics, University of Jammu, Jammu Tawi, 180006 (India)

    2017-06-15

    Today the fundamental aspect of the researchers is to explore maximum physical properties of the material for device fabrication. In the present article, single crystal X-ray diffraction has been carried out to verify the formation of the synthesized compound. In addition to that, powder X-ray diffraction has been performed to obtain diffraction pattern of L-Prolinium Picrate single crystal. The strain present inside the single crystal was measured using Hall-Williamson equation from PXRD measurements. The dark current and photon current was obtained from photoconductivity technique whose plot depicted that the sample was negative photoconducting material. Optical homogeneity of the single crystal was analyzed using birefringence technique. Its resistance towards Nd: YAG laser was scrutinized for L-Prolinium Picrate single crystal by applying 1 pulse per second. Different thermal parameters like thermal conductivity, thermal diffusivity, thermal effusivity and specific heat were computed using photo-pyroelectric technique. Solid state parameters were calculated from Clausius Mossotti relation by taking structural information of the title compound. Also, optical parameters like refractive index, reflectance etc were calculated through UV–Vis–NIR analysis. - Highlights: • An optically transparent L-Prolinium Picrate single crystal was harvested from slow evaporation solution growth technique. • The compound shows negative photoconducting nature. • Its optical homogeneity was analyzed using birefringence. • Single shot of laser was applied to sample to measure laser damage threshold value. • The thermal parameters were computed from Photopyroelectric technique.

  5. Crystal Growth of New Radiation Detector Materials in Microgravity, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — RMD proposes to conduct a series of crystal growth experiments on the International Space Station in the SUBSA furnace inside the MSG glovebox to grow crystals of...

  6. Survival of Organic Materials in Ancient Cryovolcanically-Produced Halite Crystals

    Science.gov (United States)

    Zolensky, M.; Fries, M.; Chan, Q. H.-S.; Kebukawa, Y.; Bodnar, R.; Burton, A.; Callahan, M.; Steele, A.; Sandford, S.

    2015-01-01

    Spectroscopic evidence supports the presence of Mg-Na-K salts derived from cryovolcanism on the surface of Europa. Halite (NaCl) is effective at very long-term preservation of organic phases and structures. Collection of salt crystals from Europan plumes would provide solid inclusions of organics, potentially also biomaterials, all suitable for analysis. Two thermally-metamorphosed ordinary chondrite regolith breccias (Monahans 1998 (H5) and Zag (H3-6)) contain fluid and solid inclusion-bearing halite crystals, dated to approximately 4.5 billion years, and thus the trapped aqueous fluids and solids are at least as old. Heating/freezing studies of the aqueous fluid inclusions in these halites demonstrated that they were trapped near 25 degrees Centigrade, and their continued presence in the halite grains requires that their incorporation into the H chondrite asteroid occurred after that body's metamorphism ended, since heating would have dessicated the halite. O and H isotopes of the trapped fluids are consistent with mixing of asteroidal and cometary water. Cryovolcanic Origin of the Halite: We hypothesize that these meteoritic halites derive from ancient cryovolcanism based on the following points. (1) Salts crystals are observed as products of current cryovolcanism on Enceladus. (2) In-situ spacecraft analysis of some of the icy grains associated with the Enceladus salt found minor organic or siliceous components, including methane, also found in the Monahans halite. (3) Cryovolcanic fluids are observed to be in chemical disequilibrium, reflecting incomplete reactions between interior volatiles and rocky materials. The coexistence of N2 and HCN in Enceladus' cryovolcanic fluids requires that the plume consists of a mixture of materials whose sources experienced different degrees of aqueous processing, including primordial material trapped in ice that has not been in contact with liquid water. The observed mineral assemblage within the Monahans and Zag halites is

  7. Elastic constants of stressed and unstressed materials in the phase-field crystal model

    Science.gov (United States)

    Wang, Zi-Le; Huang, Zhi-Feng; Liu, Zhirong

    2018-04-01

    A general procedure is developed to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase-field crystal (PFC) models. It is found that for a complete description of system response to elastic deformation, the variations of all the quantities of lattice wave vectors, their density amplitudes (including the corresponding anisotropic variation and degeneracy breaking), the average atomic density, and system volume should be incorporated. The quantitative and qualitative results of elastic constant calculations highly depend on the physical interpretation of the density field used in the model, and also importantly, on the intrinsic pressure that usually pre-exists in the model system. A formulation based on thermodynamics is constructed to account for the effects caused by constant pre-existing stress during the homogeneous elastic deformation, through the introducing of a generalized Gibbs free energy and an effective finite strain tensor used for determining the elastic constants. The elastic properties of both solid and liquid states can be well produced by this unified approach, as demonstrated by an analysis for the liquid state and numerical evaluations for the bcc solid phase. The numerical calculations of bcc elastic constants and Poisson's ratio through this method generate results that are consistent with experimental conditions, and better match the data of bcc Fe given by molecular dynamics simulations as compared to previous work. The general theory developed here is applicable to the study of different types of stressed or unstressed material systems under elastic deformation.

  8. A review on solar cells from Si-single crystals to porous materials and quantum dots.

    Science.gov (United States)

    Badawy, Waheed A

    2015-03-01

    Solar energy conversion to electricity through photovoltaics or to useful fuel through photoelectrochemical cells was still a main task for research groups and developments sectors. In this article we are reviewing the development of the different generations of solar cells. The fabrication of solar cells has passed through a large number of improvement steps considering the technological and economic aspects. The first generation solar cells were based on Si wafers, mainly single crystals. Permanent researches on cost reduction and improved solar cell efficiency have led to the marketing of solar modules having 12-16% solar conversion efficiency. Application of polycrystalline Si and other forms of Si have reduced the cost but on the expense of the solar conversion efficiency. The second generation solar cells were based on thin film technology. Thin films of amorphous Si, CIS (copper-indium-selenide) and t-Si were employed. Solar conversion efficiencies of about 12% have been achieved with a remarkable cost reduction. The third generation solar cells are based on nano-crystals and nano-porous materials. An advanced photovoltaic cell, originally developed for satellites with solar conversion efficiency of 37.3%, based on concentration of the solar spectrum up to 400 suns was developed. It is based on extremely thin concentration cells. New sensitizer or semiconductor systems are necessary to broaden the photo-response in solar spectrum. Hybrids of solar and conventional devices may provide an interim benefit in seeking economically valuable devices. New quantum dot solar cells based on CdSe-TiO2 architecture have been developed.

  9. A review on solar cells from Si-single crystals to porous materials and quantum dots

    Directory of Open Access Journals (Sweden)

    Waheed A. Badawy

    2015-03-01

    Full Text Available Solar energy conversion to electricity through photovoltaics or to useful fuel through photoelectrochemical cells was still a main task for research groups and developments sectors. In this article we are reviewing the development of the different generations of solar cells. The fabrication of solar cells has passed through a large number of improvement steps considering the technological and economic aspects. The first generation solar cells were based on Si wafers, mainly single crystals. Permanent researches on cost reduction and improved solar cell efficiency have led to the marketing of solar modules having 12–16% solar conversion efficiency. Application of polycrystalline Si and other forms of Si have reduced the cost but on the expense of the solar conversion efficiency. The second generation solar cells were based on thin film technology. Thin films of amorphous Si, CIS (copper–indium–selenide and t-Si were employed. Solar conversion efficiencies of about 12% have been achieved with a remarkable cost reduction. The third generation solar cells are based on nano-crystals and nano-porous materials. An advanced photovoltaic cell, originally developed for satellites with solar conversion efficiency of 37.3%, based on concentration of the solar spectrum up to 400 suns was developed. It is based on extremely thin concentration cells. New sensitizer or semiconductor systems are necessary to broaden the photo-response in solar spectrum. Hybrids of solar and conventional devices may provide an interim benefit in seeking economically valuable devices. New quantum dot solar cells based on CdSe–TiO2 architecture have been developed.

  10. Syntheses, characterization and nonlinear optical properties of sodium-scandium carbonate Na5Sc(CO3)4·2H2O

    Science.gov (United States)

    Chen, Jie; Luo, Min; Ye, Ning

    2014-10-01

    A novel nonlinear optical (NLO) material Na5Sc(CO3)4·2H2O has been synthesized under a subcritical hydrothermal condition. The structure is determined by single-crystal X-ray diffraction and further characterized by TG analyses and UV-vis-NIR diffuse reflectance spectrum. It crystallizes in the tetragonal space group P-421c, with a = b = 7.4622(6) Å, C = 11.5928(15) Å. The Second-harmonic generation (SHG) on polycrystalline samples was measured using the Kurtz and Perry technique, which indicated that Na5Sc(CO3)4·2H2O was a phase-matchable material, and its measured SHG coefficient was about 1.8 times as large as that of d36 (KDP). The results from the UV-vis diffuse reflectance spectroscopy study of the powder samples indicated that the short-wavelength absorption edges of Na5Sc(CO3)4·2H2O is about 220 nm, suggesting that this crystal is a promising UV nonlinear optical (NLO) materials.

  11. Crystal River 3 Cable Materials for Thermal and Gamma Radiation Aging

    Energy Technology Data Exchange (ETDEWEB)

    Fifield, Leonard S. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Correa, Miguel [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zwoster, Andy [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-09-07

    The Expanded Materials Degradation Assessment Volume 5: Aging of Cables and Cable Systems (EMDA) summarizes the state of knowledge of materials, constructions, operating environments, and aging behavior of low voltage and medium cables in nuclear power plants (NPPs) and identifies potential knowledge gaps with regard to cable operation beyond 60 years. The greatest area of uncertainty relates to how well the accelerated aging used in the original equipment qualification (EQ) processes predicts the performance of cable materials in extended operation. General opinion and utility experience have indicated that actual operating environments of in-plant cables are not as severe, however, as the operating and design basis environments used in the qualification process. Better understanding of the long term aging behavior of cable insulation materials in service conditions and the analysis of actual cable operating environments are the objectives of ongoing research to support subsequent license renewal activities in particular and long term cable aging management in general. A key component of the effort to better understand cable material aging behavior is the availability of representative samples of cables that have been installed in operating light water reactors and have experienced long term service. Unique access to long term service cables, including relatively rich information on cable identity and history, occurred in 2016 through the assistance of the Electric Power Research Institute (EPRI). EPRI facilitated DOE receipt of harvested cables from the decommissioned Crystal River Unit 3 (CR3) pressurized water reactor representing six of the nine most common low voltage cable manufacturers (EPRI 103841R1): Rockbestos, Anaconda Wire and Cable Company (Anaconda), Boston Insulated Wire (BIW), Brand-Rex, Kerite and Okonite. Cable samples received had been installed in the operating plant for durations ranging from 10 years to 36 years. These cables provide the

  12. Applications of synchrotron microradiography in materials science-in situ visualization of the growth of metallic alloy crystals

    International Nuclear Information System (INIS)

    Wang Tongmin; Zhu Jing; Cao Fei; Wang Kun; Bao Yongming; Xie Honglan; Huang Wanxia

    2012-01-01

    Metals and their alloys are an important type of structural and functional material and have been widely used in the aerospace, automobile, shipbuilding and other industries. The macro-properties of metallic alloys actually depend on their microstructures. The evolution of their microstructures generally involves a dynamic process of crystal growth on the scale of micrometers. The crystal growth of these alloys is still a puzzle to us due to their opacity. Conventional metallography techniques are limited by the high temperature of the phase changes so it is not possible to perform in situ observation of the evolving crystal morphology. The in situ visualization of the crystal growth has now become possible with the application of synchrotron radiation imaging techniques, which are just the right key to unravel the mystery mentioned above. In this paper, the development and current state-of-the-art of in situ crystal growth visualization are reviewed. Some typical application examples are presented, and promising applications in materials science are further expected. (authors)

  13. Structure determination of KScS.sub.2./sub., RbScS.sub.2./sub. and KLnS.sub.2./sub. (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal-chemical discussion

    Czech Academy of Sciences Publication Activity Database

    Havlák, Lubomír; Fábry, Jan; Henriques, Margarida Isabel Sousa; Dušek, Michal

    2015-01-01

    Roč. 71, Jul (2015), 623-630 ISSN 2053-2296 R&D Projects: GA ČR(CZ) GAP204/11/0809; GA TA ČR TA04010135 Institutional support: RVO:68378271 Keywords : alkali rare earth sulfides * X-ray single-crystal structure determination * crystal chemistry Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.479, year: 2015

  14. Measurement for commercial exposives with SC-DSC test. Sangyoyo bakuhayaku no SC-DSC sokutei

    Energy Technology Data Exchange (ETDEWEB)

    Yabashi, H.; Wada, Y.; Hwang, D.; Akutsu, Y.; Tamura, M.; Yoshida, T. (The University of Tokyo, Tokyo (Japan). Faculty of Engineering); Matsuzawa, T. (Nippon Kayaku Co. Ltd., Tokyo (Japan))

    1991-08-30

    The sealed cell differential scanning calorimetry (SC-DSC) was sintroduced of commercial blasting explosives. As a series of testing the commercial blasting explosives in performance, an SC-DSC test was made to compare the critical detonability line with that resulting therefrom. From the result of SC-DSC measurement, the critical dilution rate was estimated of commercial blasting explosives to become without detonating propagation. As a result, all the explosives with exception of ANFO one were assumed to have a possibility of detonating propagation so that the ANFO explosive was known to be material, unable to exactly evaluate the detonability by the SC-DSC test. The explosion heat, then calculated by the REITP2 in order to assume how the reaction proceeded in the DSC cell, was compared with the reaction heat measured by the SC-DSC test. As a result, the calculated value was known to be almost equal to or slightly larger than the measured one. 15 refs., 4 figs., 2 tabs.

  15. On a phase field approach for martensitic transformations in a crystal plastic material at a loaded surface

    Science.gov (United States)

    Schmitt, Regina; Kuhn, Charlotte; Müller, Ralf

    2017-07-01

    A continuum phase field model for martensitic transformations is introduced, including crystal plasticity with different slip systems for the different phases. In a 2D setting, the transformation-induced eigenstrain is taken into account for two martensitic orientation variants. With aid of the model, the phase transition and its dependence on the volume change, crystal plastic material behavior, and the inheritance of plastic deformations from austenite to martensite are studied in detail. The numerical setup is motivated by the process of cryogenic turning. The resulting microstructure qualitatively coincides with an experimentally obtained martensite structure. For the numerical calculations, finite elements together with global and local implicit time integration scheme are employed.

  16. Lyotropic chromonic liquid crystals as materials for optical and biosensing applications

    Science.gov (United States)

    Tortora, L.; Park, H.-S.; Antion, K.; Finotello, D.; Lavrentovich, O. D.

    2007-02-01

    Lyotropic chromonic liquid crystals (LCLCs) are formed by molecules with rigid polyaromatic cores and ionic groups at the periphery that form aggregates while in water. Most of the LCLCs are not toxic to the biological cells and can be used as an amplifying medium in real-time biosensors. The detector is based on the principle that the immune aggregates growing in the LCLC bulk trigger the director distortions. Self-assembly of LCLC molecules into oriented structures allows one to use them in various structured films. For example, layer-by-layer electrostatic deposition produces monomolecular layers and stacks of layers of LCLC with long-range in-plane orientational order which sets them apart from the standard Langmuir-Blodgett films. We demonstrate that divalent and multivalent salts as well as acidic and basic materials that alter pH of the LCLC water solutions, are drastically modifying the phase diagrams of LCLC, from shifting the phase transition temperatures by tens of degrees, to causing condensation of the LCLC aggregates into more compact structures, such as birefringent bundles or formation of a columnar hexagonal phase from the nematic phase.

  17. Crystal Symmetry Algorithms in a High-Throughput Framework for Materials

    Science.gov (United States)

    Taylor, Richard

    The high-throughput framework AFLOW that has been developed and used successfully over the last decade is improved to include fully-integrated software for crystallographic symmetry characterization. The standards used in the symmetry algorithms conform with the conventions and prescriptions given in the International Tables of Crystallography (ITC). A standard cell choice with standard origin is selected, and the space group, point group, Bravais lattice, crystal system, lattice system, and representative symmetry operations are determined. Following the conventions of the ITC, the Wyckoff sites are also determined and their labels and site symmetry are provided. The symmetry code makes no assumptions on the input cell orientation, origin, or reduction and has been integrated in the AFLOW high-throughput framework for materials discovery by adding to the existing code base and making use of existing classes and functions. The software is written in object-oriented C++ for flexibility and reuse. A performance analysis and examination of the algorithms scaling with cell size and symmetry is also reported.

  18. Crystal structure and ion-diffusion pathway of inorganic materials through neutron diffraction

    International Nuclear Information System (INIS)

    Yashima, Masatomo

    2012-01-01

    The present brief review describes the application of neutron powder diffractometry and maximum-entropy method to the studies of crystal structure and diffusional pathways of mobile ions in ionic conducting ceramic materials. La 0.62 Li 0.16 TiO 3 and L i0.6 FePO 4 exhibit two- and one-dimensional networks of Li cation diffusional pathways, respectively. In the fluorite-structure ionic conductors such as celia solid solution Ce 0.93 Y 0.07 O 1.96 , bismuth oxide solid solution δ-Bi 1.4 Yb 0.6 O 3 and copper iodide CuI, a similar curved diffusion pathway along the directions is observed. In the cubic ABO 3 perovskite-type ionic conductor, lanthanum gallate solid solution, the mobile ions diffuse along a curved line keeping the interatomic distance between the B cation and O 2- anion. We have experimentally confirmed that the anisotropic thermal motions of the apex O2 atom and the interstitial O3 atoms are essential for the high oxygen permeability of the K 2 NiF 4 -type mixed conductor. Diffusion paths of proton are visualized along c axis in hexagonal hydroxyapatite. (author)

  19. Organic crystals – More than simple additives toward better electroceramic materials

    Directory of Open Access Journals (Sweden)

    Mamoru Senna

    2010-09-01

    Full Text Available Roles of various organic crystals (OC, notably those containing nitrogen, on the preparation and properties of source materials for electroceramics are featured from the author’s own experimental studies. When OC are intimately mixed with metal salts like carbonates, their decomposition is accelerated, liberating the diffusing species at temperatures lower than usual. Mixing of OC with metal oxides under mechanical stressing results in anion exchange and eases diffusion of guest species. Case studies on 3 categories, i.e. i substitution of oxygen in titania with nitrogen and introduction of oxygen vacancies during co-grinding titania with urea, glycine and/or polytetra fluoroethylene; ii increase in the rate of reaction of barium titanate formation via a solid state route by OCs with detailed process analysis with glycine as an example of OC, and iii phase pure solid state synthesis of Li4Ti5O12 by mechanically activating the intermediate, Li2TiO3 with 3 amino acids as OCs.

  20. Self-assembled hybrid materials based on conjugated polymers and semiconductors nano-crystals for plastic solar cells

    International Nuclear Information System (INIS)

    Girolamo, J. de

    2007-11-01

    This work is devoted to the elaboration of self-assembled hybrid materials based on poly(3- hexyl-thiophene) and CdSe nano-crystals for photovoltaic applications. For that, complementary molecular recognition units were introduced as side chain groups on the polymer and at the nano-crystals' surface. Diamino-pyrimidine groups were introduced by post-functionalization of a precursor copolymer, namely poly(3-hexyl-thiophene-co-3- bromo-hexyl-thiophene) whereas thymine groups were introduced at the nano-crystals' surface by a ligand exchange reaction with 1-(6-mercapto-hexyl)thymine. However, due to their different solubility, the mixing of the two components by solution processes is difficult. A 'one-pot' procedure was developed, but this method led to insoluble aggregates without control of the hybrid composition. To overcome the solubility problem, the layer-by-layer method was used to prepare the films. This method allows a precise control of the deposition process. Experimental parameters were tested in order to evaluate their impact on the resulting film. The films morphology was investigated by microscopy and X-Ray diffraction techniques. These analyses reveal an interpenetrated structure of nano-crystals within the polymer matrix rather than a multilayered structure. Electrochemical and spectro electrochemical studies were performed on the hybrid material deposited by the LBL process. Finally the materials were tested in a solar cell configuration and the I=f(V) curves reveals a clear photovoltaic behaviour. (author)

  1. Crystallization and memory programming characteristics of Ge-doped SbTe materials of varying Sb : Te ratio

    International Nuclear Information System (INIS)

    Jeong, Jeung-hyun; Lee, Hyun Seok; Lee, Suyoun; Lee, Taek Sung; Kim, Won Mok; Wu Zhe; Cheong, Byung-ki; Kim, Seul Cham; Oh, Kyu Hwan

    2009-01-01

    A phase change memory (PCM) utilizes resistivity changes accompanying fast transitions from an amorphous to a crystalline phase (SET) and vice versa (RESET). An investigation was made on the SET characteristics of PCM cells with Ge-doped SbTe (Ge-ST) materials of two different Sb : Te ratios (4.53 and 2.08). For the material of higher Sb : Te (4.53), a SET operation was completed within several tens of nanoseconds via nucleation-free crystallization whereas the material of lower Sb : Te (2.08) rendered a slower SET operation requiring several hundred nanoseconds for a nucleation-mediated crystallization. From measurements of nucleation and growth kinetics via laser-induced crystallization, the observed SET characteristics of the former case were found to derive from a growth time about 10 3 times shorter than the nucleation time and those of the latter from a much shorter nucleation time as well as a longer growth time than in the former case. The measured nucleation kinetics of the lower Sb : Te (2.08) material is unexpected from the existing data, which has led us to advance an interesting finding that there occurs a trend-reversing change in the nucleation kinetics of the Ge-ST materials around the eutectic composition (Sb : Te ∼2.6); nucleation is accelerated with the increase in the Sb : Te ratio above Sb : Te of 2.6, but with a decrease in the Sb : Te ratio below it.

  2. A 4-D dataset for validation of crystal growth in a complex three-phase material, ice cream

    Science.gov (United States)

    Rockett, P.; Karagadde, S.; Guo, E.; Bent, J.; Hazekamp, J.; Kingsley, M.; Vila-Comamala, J.; Lee, P. D.

    2015-06-01

    Four dimensional (4D, or 3D plus time) X-ray tomographic imaging of phase changes in materials is quickly becoming an accepted tool for quantifying the development of microstructures to both inform and validate models. However, most of the systems studied have been relatively simple binary compositions with only two phases. In this study we present a quantitative dataset of the phase evolution in a complex three-phase material, ice cream. The microstructure of ice cream is an important parameter in terms of sensorial perception, and therefore quantification and modelling of the evolution of the microstructure with time and temperature is key to understanding its fabrication and storage. The microstructure consists of three phases, air cells, ice crystals, and unfrozen matrix. We perform in situ synchrotron X-ray imaging of ice cream samples using in-line phase contrast tomography, housed within a purpose built cold-stage (-40 to +20oC) with finely controlled variation in specimen temperature. The size and distribution of ice crystals and air cells during programmed temperature cycling are determined using 3D quantification. The microstructural evolution of three-phase materials has many other important applications ranging from biological to structural and functional material, hence this dataset can act as a validation case for numerical investigations on faceted and non-faceted crystal growth in a range of materials.

  3. A 4-D dataset for validation of crystal growth in a complex three-phase material, ice cream

    International Nuclear Information System (INIS)

    Rockett, P; Karagadde, S; Guo, E; Kingsley, M; Lee, P D; Bent, J; Hazekamp, J; Vila-Comamala, J

    2015-01-01

    Four dimensional (4D, or 3D plus time) X-ray tomographic imaging of phase changes in materials is quickly becoming an accepted tool for quantifying the development of microstructures to both inform and validate models. However, most of the systems studied have been relatively simple binary compositions with only two phases. In this study we present a quantitative dataset of the phase evolution in a complex three-phase material, ice cream. The microstructure of ice cream is an important parameter in terms of sensorial perception, and therefore quantification and modelling of the evolution of the microstructure with time and temperature is key to understanding its fabrication and storage. The microstructure consists of three phases, air cells, ice crystals, and unfrozen matrix. We perform in situ synchrotron X-ray imaging of ice cream samples using in-line phase contrast tomography, housed within a purpose built cold-stage (-40 to +20 o C) with finely controlled variation in specimen temperature. The size and distribution of ice crystals and air cells during programmed temperature cycling are determined using 3D quantification. The microstructural evolution of three-phase materials has many other important applications ranging from biological to structural and functional material, hence this dataset can act as a validation case for numerical investigations on faceted and non-faceted crystal growth in a range of materials. (paper)

  4. The phase transition of the incommensurate phases β-Ln(PO3)3(Ln=Y,Tb...Yb), crystal structures of α-Ln(PO3)3(Ln=Y,Tb...Yb) and Sc(PO3)3

    International Nuclear Information System (INIS)

    Hoeppe, Hennig A.

    2009-01-01

    The incommensurately modulated room-temperature phases β-Ln(PO 3 ) 3 (Ln=Y,Tb...Yb) undergo a topotactic phase transition monitored by vibrational spectroscopy below 180 K leading to α-Ln(PO 3 ) 3 (Ln=Y,Dy...Yb), above 200 K the incommensurate phases are reobtained. The low-temperature phases exhibit a new structure type (α-Dy(PO 3 ) 3 ,P2 1 /c,Z=12,a=14.1422(6),b=20.0793(9),c=10.1018(4)A, β=127.532(3) 0 ). α-Tb(PO 3 ) 3 is isotypic with Gd(PO 3 ) 3 (α-Tb(PO 3 ) 3 ,I2/a,Z=16,a=25.875(6),b=13.460(3),c=10.044(2)A, β=119.13(3) 0 ). The symmetry relations between the involved phases of the phase transition are discussed. The crystal structure of Sc(PO 3 ) 3 is isotypic with that of Lu(PO 3 ) 3 and C-type phosphates. The polyphosphates consist of infinite zig-zag chains of corner-sharing PO 4 tetrahedra, the cations are coordinated sixfold in an almost octahedral arrangement. To confirm the quality of the determined crystal structures the deviation of the phosphate tetrahedra from ideal symmetry was determined and discussed. - Abstract: Basic structure from which all crystal structures of the late lanthanoids' polyphosphates at room temperature and below can be derived.

  5. Final Report of “Collaborative research: Fundamental science of low temperature plasma-biological material interactions” (Award# DE-SC0005105)

    Energy Technology Data Exchange (ETDEWEB)

    Oehrlein, Gottlieb S. [Univ. of Maryland, College Park, MD (United States); Seog, Joonil [Univ. of Maryland, College Park, MD (United States); Graves, David [Univ. of California, Berkeley, CA (United States); Chu, J. -W. [Univ. of California, Berkeley, CA (United States)

    2014-09-24

    temperature plasma sources with modified geometry where radical induced interactions generally dominate due to short mean free paths of ions and VUV photons. In these conditions we demonstrated the importance of environmental interactions of plasma species when APP sources are used to modify biomolecules. This is evident from both gas phase characterization data and in-situ surface characterization of treated biomolecules. Environmental interactions can produce unexpected outcomes due to the complex reactions of reactive species with the atmosphere which determine the composition of reactive fluxes and atomistic changes in biomolecules. Overall, this work elucidated a richer spectrum of scientific opportunities and challenges for the field of low temperature plasma-biomolecule surface interactions than initially anticipated, in particular, for plasma sources operating at atmospheric pressure. The insights produced in this work, e.g. demonstration of the importance of environmental interactions, are generally important for applications of APP to materials modifications. Thus one major contributions of this research has been the establishment of methodologies to study the interaction of plasma with bio-molecules in a systemic and rigorous manner. In particular, our studies of atmospheric pressure plasma sources using very well-defined experimental conditions enabled us to correlate atomistic surface modifications of biomolecules with changes in their biological function. The clarification of the role of ions, VUV photons and radicals in deactivation of biomolecules during low pressure and atmospheric pressure plasma-biomolecule interaction has broad implications, e.g. for the emerging field of plasma medicine. The development of methods to detect the effects of plasma treatment on immune-active biomolecules will lay a fundamental foundation to enhance our understanding of the effect of plasma on biological systems. be helpful in many future studies.

  6. Topotactic oxidation pathway of ScTiO3 and high-temperature structure evolution of ScTiO3.5 and Sc4Ti3O12-type phases.

    Science.gov (United States)

    Shafi, Shahid P; Hernden, Bradley C; Cranswick, Lachlan M D; Hansen, Thomas C; Bieringer, Mario

    2012-02-06

    The novel oxide defect fluorite phase ScTiO(3.5) is formed during the topotactic oxidation of ScTiO(3) bixbyite. We report the oxidation pathway of ScTiO(3) and structure evolution of ScTiO(3.5), Sc(4)Ti(3)O(12), and related scandium-deficient phases as well as high-temperature phase transitions between room temperature and 1300 °Cusing in-situ X-ray diffraction. We provide the first detailed powder neutron diffraction study for ScTiO(3). ScTiO(3) crystallizes in the cubic bixbyite structure in space group Ia3 (206) with a = 9.7099(4) Å. The topotactic oxidation product ScTiO(3.5) crystallizes in an oxide defect fluorite structure in space group Fm3m (225) with a = 4.89199(5) Å. Thermogravimetric and differential thermal analysis experiments combined with in-situ X-ray powder diffraction studies illustrate a complex sequence of a topotactic oxidation pathway, phase segregation, and ion ordering at high temperatures. The optimized bulk synthesis for phase pure ScTiO(3.5) is presented. In contrast to the vanadium-based defect fluorite phases AVO(3.5+x) (A = Sc, In) the novel titanium analogue ScTiO(3.5) is stable over a wide temperature range. Above 950 °C ScTiO(3.5) undergoes decomposition with the final products being Sc(4)Ti(3)O(12) and TiO(2). Simultaneous Rietveld refinements against powder X-ray and neutron diffraction data showed that Sc(4)Ti(3)O(12) also exists in the defect fluorite structure in space group Fm3m (225) with a = 4.90077(4) Å. Sc(4)Ti(3)O(12) undergoes partial reduction in CO/Ar atmosphere to form Sc(4)Ti(3)O(11.69(2)).

  7. Theoretical study of stability and superconductivity of ScHn (n =4 -8 ) at high pressure

    Science.gov (United States)

    Qian, Shifeng; Sheng, Xiaowei; Yan, Xiaozhen; Chen, Yangmei; Song, Bo

    2017-09-01

    The synthesis of hydrogen sulfides, with the potential of high-temperature superconductivity, was recently proposed at high Tc = 203 K. It motivated us to employ an ab initio approach for the predictions of crystal structures to find the stable scandium hydrides. In addition to the earlier predicted three stoichiometries of ScH, ScH2, and ScH3, we identify three other metallic stoichiometries of ScH4, ScH6, and ScH8, which show superconductivity at significantly higher temperatures. The phases of ScH4 and ScH6, whose stability does not require extremely high pressures (ZPE), are primarily ionic compounds containing exotic quasimolecular H2 arrangements. The present electron-phonon calculations revealed the superconductive potential of ScH4 and ScH6 with estimated Tc of 98 K and 129 K at 200 GPa and 130 GPa, respectively. The superconductivity of ScHn stems from the large electron-phonon coupling associated with the wagging, bending, and intermediate-frequency modes attributed mainly to the hydrogen atoms.

  8. Influence of electron beam exposure on crystallization of phase-change materials

    NARCIS (Netherlands)

    Pandian, Ramanathaswamy; Kooi, Bart J.; De Hosson, Jeff Th. M.; Pauza, Andrew

    2007-01-01

    Isothermal crystallization of amorphous SbxTe films capped with ZnS-SiO2 or GeCrN layers was performed using in situ heating within a transmission electron microscope. The effect of the electron beam of the microscope on the crystallization process was investigated. It was found that electron

  9. Monitor of SC beam profiles

    CERN Document Server

    CERN PhotoLab

    1977-01-01

    A high-resolution secondary emission grid for the measurement of SC beam profiles. Modern techniques of metal-ceramic bonding, developed for micro-electronics, have been used in its construction. (See Annual Report 1977 p. 105 Fig. 12.)

  10. First coil for the SC

    CERN Multimedia

    CERN PhotoLab

    1955-01-01

    The coils for the SC magnet were stored in the large hangar of the Cointrin Airport (to make sure that they would be available before snow and ice would block the roads and canals from Belgium, where they were built).

  11. The Surface of Hybrid Perovskite Crystals: A Boon or Bane

    KAUST Repository

    Banavoth, Murali

    2017-03-03

    Hybrid perovskite single crystals have garnered tremendous research attention and are expected to be next-generation materials for high-efficiency photoactive devices. Therefore, it is fundamentally important to understand the 8 relationship between the optoelectronic properties of these materials and the marginally exploited surface chemistry in ambient air. For instance, a strong surface disorder, including hydration and ion migration, can possibly lead to extremely different optical and electronic properties at the surface compared to the bulk of the single crystal (SC). From this perspective, we evaluate the key variables that underlie the perovskite SC surface restructuring in ambient air and discuss their merits and limitations. In addition, a comprehensive picture of surface disordering, the remarkable change in the charge carrier dynamics and carrier mobility, surface hydration, and the effect of ion migration on the surface behavior will be discussed. Finally, surface passivation methods are highlighted to resolve or overcome the challenges for device integration.

  12. Assembly of a supercrystal (SC) of the CMS endcap electromagnetic calorimeter

    CERN Multimedia

    J. Williams et al., RAL

    2004-01-01

    The first three pictures show the insertion of the first three rows of crystals into the supercrystal SC03 on Jan. 2004 and the completion of the SC endstops. Fig. 4 shows a complete supercrystal and Fig. 5 its components (alveolar, interface plate, housing, optical fibre, insert, crystal and VPT, endstop). A set of 25 inserts is shown in Fig. 6, while Fig. 7 shows housing, interface plates and inserts. Finally, a SC rear view showing the Vacum Phototriode (VPT) wires through the inserts can be seen in Fig. 8. Fig. 9 and 10 show two supercrystals under test on Dee F and R, respectively.

  13. Two inorganic-organic hybrid materials based on polyoxometalate anions and methylene blue: Preparations, crystal structures and properties

    International Nuclear Information System (INIS)

    Nie Shanshan; Zhang Yaobin; Liu Bin; Li Zuoxi; Hu Huaiming; Xue Ganglin; Fu Feng; Wang Jiwu

    2010-01-01

    Two novel inorganic-organic hybrid materials based on an organic dye cation methylene blue (MB) and Lindqvist-type POM polyanions, [C 22 H 18 N 3 S] 2 Mo 6 O 19 2DMF (1) and [C 22 H 18 N 3 S] 2 W 6 O 19 2DMF (2) were synthesized under ambient conditions and characterized by CV, IR spectroscopy, solid diffuse reflectance spectrum, UV-vis spectra in DMF solution, luminescent spectrum and single crystal X-ray diffraction. Crystallographic data reveal that compounds 1 and 2 are isostructural and both crystallize in the triclinic space group P1-bar . Their crystal structures present that the layers of organic molecules and inorganic anions array alternatively, and there exist strong π...π stacking interactions between dimeric MB cations and near distance interactions among organic dye cations, Lindqvist-type POM polyanions and DMF molecules. The solid diffuse reflectance spectra and UV-vis spectra in DMF solution appear new absorption bands ascribed to the charge-transfer transition between the cationic MB donor and the POM acceptors. Studies of the photoluminescent properties show that the formation of 1 and 2 lead to the fluorescence quenching of starting materials. -- Graphical abstract: Their crystal structures present that the layers of organic molecules and inorganic anions array alternatively, and there exist strong π...π stacking interactions between dimeric MB cations. Display Omitted

  14. Computerized crystal-chemical classification of silicates and related materials with CRYSTANA and formula notation for classified structures

    International Nuclear Information System (INIS)

    Klein, Hans-Joachim; Liebau, Friedrich

    2008-01-01

    The computer program CRYSTANA is described which implements a method for the crystal-chemical classification of silicates and related materials. This method is mainly based upon the topological structure of the connected units of a compound and can be applied when the units are built from tetrahedra as coordination polyhedra. The classification parameters and the rules which have to be applied for their determination are summarized and a formalization of the method is provided based upon a finite graph representation of the units. A description of how CRYSTANA can be used and which kind of output it produces is included. From this output crystal-chemical formulas can be derived, which differ slightly from an existing notation in order to meet recommendations of the International Union of Crystallography. - The computer program CRYSTANA is described which implements a method for the crystal-chemical classification of silicates and related materials. The implementation is based upon a graph-theoretical formalization of the classification method. An extended notation of crystal-chemical formulas is introduced. The formulas can be derived from the output of the program

  15. A dislocation-based crystal viscoplasticity model with application to micro-engineered plasma-facing materials

    Energy Technology Data Exchange (ETDEWEB)

    Rivera, David; Huang, Yue; Po, Giacomo; Ghoniem, Nasr M., E-mail: ghoniem@ucla.edu

    2017-03-15

    Materials developed with special surface architecture are shown here to be more resilient to the transient thermomechanical environments imposed by intermittent exposures to high heat flux thermal loading typical of long-pulse plasma transients. In an accompanying article, we present experimental results that show the relaxation of residual thermal stresses in micro-engineered W surfaces. A dislocation-based model is extended here within the framework of large deformation crystal plasticity. The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces composed of a uniform density of micro-pillars. The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. Residual stresses generated by cyclic thermomechanical loading of these architectures show that the surface can be in a compressive stress state, following a short shakedown plasma exposure, thus mitigating surface fracture. - • Materials developed with special surface architecture are shown to be more resilient to the transient thermomechanical plasma transients. • A dislocation-based model is extended within the framework of large deformation crystal plasticity. • The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces. • The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. • Residual stresses generated by cyclic thermomechanical loading show that the surface can be in a compressive stress state, thus mitigating surface fracture.

  16. A dislocation-based crystal viscoplasticity model with application to micro-engineered plasma-facing materials

    International Nuclear Information System (INIS)

    Rivera, David; Huang, Yue; Po, Giacomo; Ghoniem, Nasr M.

    2017-01-01

    Materials developed with special surface architecture are shown here to be more resilient to the transient thermomechanical environments imposed by intermittent exposures to high heat flux thermal loading typical of long-pulse plasma transients. In an accompanying article, we present experimental results that show the relaxation of residual thermal stresses in micro-engineered W surfaces. A dislocation-based model is extended here within the framework of large deformation crystal plasticity. The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces composed of a uniform density of micro-pillars. The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. Residual stresses generated by cyclic thermomechanical loading of these architectures show that the surface can be in a compressive stress state, following a short shakedown plasma exposure, thus mitigating surface fracture. - • Materials developed with special surface architecture are shown to be more resilient to the transient thermomechanical plasma transients. • A dislocation-based model is extended within the framework of large deformation crystal plasticity. • The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces. • The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. • Residual stresses generated by cyclic thermomechanical loading show that the surface can be in a compressive stress state, thus mitigating surface fracture.

  17. An ideal scintillator – ZnO:Sc for sub-nanosecond pulsed radiation detection

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Kan, E-mail: zhangkan8414@163.com [Northwest Institute of Nuclear Technology, Xi’an 710024 (China); Ouyang, Xiaoping [Northwest Institute of Nuclear Technology, Xi’an 710024 (China); Xi’an Jiaotong University, Xi’an 710049 (China); Song, Zhaohui; Han, Hetong [Northwest Institute of Nuclear Technology, Xi’an 710024 (China); Zuo, Yanbin [China Nonferrous Metal Guilin Research Institute of Geology for Mineral Resource, Guilin 541004 (China); Guan, Xingyin [Northwest Institute of Nuclear Technology, Xi’an 710024 (China); Xi’an Jiaotong University, Xi’an 710049 (China); Tan, Xinjian; Zhang, Zichuan; Liu, Junhong [Northwest Institute of Nuclear Technology, Xi’an 710024 (China)

    2014-08-21

    ZnO-based scintillators are particularly well suited for use as ultrafast pulsed radiation detectors which have shown broad application prospects in various fields such as the inertial confinement fusion (ICF) diagnosis, the nuclear reaction mechanism, etc. Using the hydro-thermal method, a ZnO single-crystal doped with Scandium (ZnO:Sc) sample was prepared. As a new ZnO-based scintillator, the scintillation characteristics of ZnO:Sc have not been reported previously. In this paper, optical and scintillation characteristics of ZnO:Sc single-crystal were studied. Also a scintillation detector based on ZnO:Sc was designed. Excited by the alpha-particle, the rise time of ZnO:Sc detectors was from 162.5 to 170.7 ps, and the fall time was from 300.4 to 328.8 ps.

  18. An ideal scintillator – ZnO:Sc for sub-nanosecond pulsed radiation detection

    International Nuclear Information System (INIS)

    Zhang, Kan; Ouyang, Xiaoping; Song, Zhaohui; Han, Hetong; Zuo, Yanbin; Guan, Xingyin; Tan, Xinjian; Zhang, Zichuan; Liu, Junhong

    2014-01-01

    ZnO-based scintillators are particularly well suited for use as ultrafast pulsed radiation detectors which have shown broad application prospects in various fields such as the inertial confinement fusion (ICF) diagnosis, the nuclear reaction mechanism, etc. Using the hydro-thermal method, a ZnO single-crystal doped with Scandium (ZnO:Sc) sample was prepared. As a new ZnO-based scintillator, the scintillation characteristics of ZnO:Sc have not been reported previously. In this paper, optical and scintillation characteristics of ZnO:Sc single-crystal were studied. Also a scintillation detector based on ZnO:Sc was designed. Excited by the alpha-particle, the rise time of ZnO:Sc detectors was from 162.5 to 170.7 ps, and the fall time was from 300.4 to 328.8 ps

  19. Thermoelectric material including a multiple transition metal-doped type I clathrate crystal structure

    Science.gov (United States)

    Yang, Jihui [Lakeshore, CA; Shi, Xun [Troy, MI; Bai, Shengqiang [Shanghai, CN; Zhang, Wenqing [Shanghai, CN; Chen, Lidong [Shanghai, CN; Yang, Jiong [Shanghai, CN

    2012-01-17

    A thermoelectric material includes a multiple transition metal-doped type I clathrate crystal structure having the formula A.sub.8TM.sub.y.sub.1.sup.1TM.sub.y.sub.2.sup.2 . . . TM.sub.y.sub.n.sup.nM.sub.zX.sub.46-y.sub.1.sub.-y.sub.2.sub.- . . . -y.sub.n.sub.-z. In the formula, A is selected from the group consisting of barium, strontium, and europium; X is selected from the group consisting of silicon, germanium, and tin; M is selected from the group consisting of aluminum, gallium, and indium; TM.sup.1, TM.sup.2, and TM.sup.n are independently selected from the group consisting of 3d, 4d, and 5d transition metals; and y.sub.1, y.sub.2, y.sub.n and Z are actual compositions of TM.sup.1, TM.sup.2, TM.sup.n, and M, respectively. The actual compositions are based upon nominal compositions derived from the following equation: z=8q.sub.A-|.DELTA.q.sub.1|y.sub.1-|.DELTA.q.sub.2|y.sub.2- . . . -|.DELTA.q.sub.n|y.sub.n, wherein q.sub.A is a charge state of A, and wherein .DELTA.q.sub.1, .DELTA.q.sub.2, .DELTA.q.sub.n are, respectively, the nominal charge state of the first, second, and n-th TM.

  20. Method for single crystal growth of photovoltaic perovskite material and devices

    Science.gov (United States)

    Huang, Jinsong; Dong, Qingfeng

    2017-11-07

    Systems and methods for perovskite single crystal growth include using a low temperature solution process that employs a temperature gradient in a perovskite solution in a container, also including at least one small perovskite single crystal, and a substrate in the solution upon which substrate a perovskite crystal nucleates and grows, in part due to the temperature gradient in the solution and in part due to a temperature gradient in the substrate. For example, a top portion of the substrate external to the solution may be cooled.

  1. LOCAL COLLISION SIMULATION OF AN SC WALL USING ENERGY ABSORBING STEEL

    Directory of Open Access Journals (Sweden)

    CHUL-HUN CHUNG

    2013-08-01

    Full Text Available This study evaluates the local damage of a turbine in an auxiliary building of a nuclear power plant due to an external impact by using the LS-DYNA finite element program. The wall of the auxiliary building is SC structure and the material of the SC wall plate is high manganese steel, which has superior ductility and energy absorbance compared to the ordinary steel used for other SC wall plates. The effects of the material of the wall, collision speed, and angle on the magnitude of the local damage were evaluated by local collision analysis. The analysis revealed that the SC wall made of manganese steel had significantly less damage than the SC wall made of ordinary steel. In conclusion, an SC wall made of manganese steel can have higher effective resistance than an SC wall made of ordinary steel against the local collision of an airplane engine or against a turbine impact.

  2. Local Collision Simulation of an SC Wall Using Energy Absorbing Steel

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Chulhun; Choi, Hyun; Park, Jaegyun [Dankook Univ., Yongin (Korea, Republic of)

    2013-08-15

    This study evaluates the local damage of a turbine in an auxiliary building of a nuclear power plant due to an external impact by using the LS-DYNA finite element program. The wall of the auxiliary building is SC structure and the material of the SC wall plate is high manganese steel, which has superior ductility and energy absorbance compared to the ordinary steel used for other SC wall plates. The effects of the material of the wall, collision speed, and angle on the magnitude of the local damage were evaluated by local collision analysis. The analysis revealed that the SC wall made of manganese steel had significantly less damage than the SC wall made of ordinary steel. In conclusion, an SC wall made of manganese steel can have higher effective resistance than an SC wall made of ordinary steel against the local collision of an airplane engine or against a turbine impact.

  3. Density-functional band-structure calculations for La-, Y-, and Sc-filled CoP3-based skutterudite structures

    International Nuclear Information System (INIS)

    Loevvik, O.M.; Prytz, O.

    2004-01-01

    The crystal structure, thermodynamic stability, and electronic structure of La-, Y-, and Sc-filled CoP 3 are predicted from density-functional band-structure calculations. The size of the cubic voids in the skutterudite structure is changed much less than the difference in size between the different filling atoms, and we expect that the larger rattling amplitude of the smaller Sc and Y atoms may decrease the lattice thermal conductivity of Sc- and Y-filled structures significantly compared to La-filled structures. The solubility of La, Y, and Sc in CoP 3 is calculated to be around 5, 3-6 %, and below 1% at 0 K, respectively. Based on similar systems, this is expected to increase considerably if Fe is substituted for Co. Fe substitution is also expected to compensate the increased charge carrier concentration of the filled structures that is seen in the calculated electron density of states. In conclusion, Sc- or Y-filled (FeCo)P 3 skutterudite structures are promising materials for thermoelectric applications

  4. The effect of crystal symmetry on the maximum polarization of polycrystalline ferroelectric materials

    International Nuclear Information System (INIS)

    Jones, Jacob L.

    2010-01-01

    In polycrystalline ceramics, the degree of domain orientation in all possible crystal orientations contributes to the total realizable polarization. The extent to which domains are oriented towards an applied field can be described by a polarization distribution function. Such representations are calculated and presented in the present work for several different crystal systems including monoclinic symmetries that exhibit a polarization rotation mechanism. The relationship between the polarization distribution functions and the attainable macroscopic polarization is also developed for polycrystalline ceramics that are initially randomly oriented. In these cases, polarization rotation allows a significant degree of preferred orientation parallel to the electric field (>1000 multiples of a random distribution). However, the fraction of single crystal polarization that can be achieved (97.5%) is only marginally better than those of higher crystal symmetry.

  5. Angular selectivity asymmetry of holograms recorded in near infrared sensitive liquid crystal photopolymerizable materials

    Science.gov (United States)

    Harbour, Steven; Galstian, Tigran; Akopyan, Rafik; Galstyan, Artur

    2004-08-01

    We have experimentally observed and theoretically explained the angular selectivity asymmetry in polymer dispersed liquid crystal holograms. Experiments are conducted in compounds with near infrared sensitivity. The coupled-wave theory is used to describe the diffraction properties of obtained anisotropic holographic gratings. Furthermore, the comparison of theory and experiments provides information about the optical axis direction that is defined by the average molecular orientation of the liquid crystal in the polymer matrix.

  6. Development of standardized radioactive 46Sc solution

    International Nuclear Information System (INIS)

    Du Hongshan; Jia Zhang; Yu Yiguang; Sun Naiyao

    1988-01-01

    A method of preparation of standardized radioactive 46 Sc solution is developed. The separation of 46 Sc, the composition of 46 Sc solution and its stability, and radioactivity measurement of 46 Sc are systematically studied. The results obtained in the study and in the applications in many laboratories have shown that our method is effective and reliable

  7. High-resolution clean-sc

    NARCIS (Netherlands)

    Sijtsma, P.; Snellen, M.

    2016-01-01

    In this paper a high-resolution extension of CLEAN-SC is proposed: HR-CLEAN-SC. Where CLEAN-SC uses peak sources in “dirty maps” to define so-called source components, HR-CLEAN-SC takes advantage of the fact that source components can likewise be derived from points at some distance from the peak,

  8. The phase transition of the incommensurate phases β-Ln(PO3)3(Ln=Y,Tb…Yb), crystal structures of α-Ln(PO3)3(Ln=Y,Tb…Yb) and Sc(PO3)3

    Science.gov (United States)

    Höppe, Hennig A.

    2009-07-01

    The incommensurately modulated room-temperature phases β-Ln(PO3)3(Ln=Y,Tb…Yb) undergo a topotactic phase transition monitored by vibrational spectroscopy below 180 K leading to α-Ln(PO3)3(Ln=Y,Dy…Yb), above 200 K the incommensurate phases are reobtained. The low-temperature phases exhibit a new structure type (α-Dy(PO3)3, P21/c, Z=12,a=14.1422(6), b=20.0793(9),c=10.1018(4) A˚, β=127.532(3)∘). α-Tb(PO3)3 is isotypic with Gd(PO3)3(α-Tb(PO3)3, I2/a,Z=16,a=25.875(6), b=13.460(3), c=10.044(2) A˚, β=119.13(3)∘). The symmetry relations between the involved phases of the phase transition are discussed. The crystal structure of Sc(PO3)3 is isotypic with that of Lu(PO3)3 and C-type phosphates. The polyphosphates consist of infinite zig-zag chains of corner-sharing PO4 tetrahedra, the cations are coordinated sixfold in an almost octahedral arrangement. To confirm the quality of the determined crystal structures the deviation of the phosphate tetrahedra from ideal symmetry was determined and discussed.

  9. An EPMA study on KNbO3 and NaNbO3 single crystals - potential reference materials for quantitative microanalysis

    International Nuclear Information System (INIS)

    Samardzzija, Z.; Bernik, S.; Malic, B.; Ceh, M.; Marinenko, R.B.

    2004-01-01

    Single crystals of KNbO 3 and NaNbO 3 were selected from the limited number of suitable alkali compounds that are available and evaluated as possible reference materials for the electron-probe microanalysis (EPMA) of alkaline niobates with a composition described by the general formula K 1-x Na x NbO 3 . The EPMA study verified that KNbO 3 and NaNbO 3 single crystals are stable under the electron beam and compositionally homogeneous. A quantitative microanalysis confirmed the composition of pure KNbO 3 , while the NaNbO 3 crystal contained 0.3 mass fraction % of Ca. A significant improvement in the accuracy of the quantitative EPMA of polycrystalline potassium-sodium niobates was achieved using these single crystals as standards. The crystals can also be useful as reference materials for the analysis of sodium and potassium in other materials. (author)

  10. Virtual Crystallizer

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-08-29

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

  11. IEC SC15E: Report on liaison activities of CIGRÉ-SC15

    DEFF Research Database (Denmark)

    Henriksen, Mogens

    2000-01-01

    WG’s activities under CIGRÉ SC15:WG 15.01 - Fluid impregnated systems.WG 15.02 - Dielectric Liquids.WG 15.03 - Gas Insulation.WG 15.04 - Outdoor Insulation.WG 15.05 - Capacitors.WG 15.07 - Solid Insulating Materials for Rotating Machines.WG 15/33.08 - Insulation Monitoring and Life Estimation. WG...

  12. Rare earth ruthenium gallides with the ideal composition Ln_2Ru_3Ga_5 (Ln = La-Nd, Sm) crystallizing with U_2Mn_3Si_5 (Sc_2Fe_3Si_5) type structure

    International Nuclear Information System (INIS)

    Jeitschko, Wolfgang; Schlueter, Martin

    2010-01-01

    The rare earth ruthenium gallides Ln_2Ru_3Ga_5 (Ln = La, Ce, Pr, Nd, Sm) were prepared by arc-melting of cold-pressed pellets of the elemental components. They crystallize with a tetragonal structure (P4/mnc, Z = 4) first reported for U_2Mn_3Si_5. The crystal structures of the cerium and samarium compounds were refined from single-crystal X-ray data, resulting in significant deviations from the ideal compositions: Ce_2Ru_2_._3_1_(_1_)Ga_5_._6_9_(_1_), a = 1135.10(8) pm, c = 580.58(6) pm, R_F = 0.022 for 742 structure factors; Sm_2Ru_2_._7_3_(_2_)Ga_5_._2_7_(_2_), a = 1132.95(9) pm, c = 562.71(6) pm, R_F = 0.026 for 566 structure factors and 32 variable parameters each. The deviations from the ideal compositions 2:3:5 are discussed. A mixed Ru/Ga occupancy occurs only for one atomic site. The displacement parameters are relatively large for atoms with mixed occupancy within their coordination shell and small for atoms with no neighboring sites of mixed occupancy. Chemical bonding is analyzed on the basis of interatomic distances. Ln-Ga bonding is stronger than Ln-Ru bonding. Ru-Ga bonding is strong and Ru-Ru bonding is weak. The Ga-Ga interactions are of similar strength as in elemental gallium. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  13. Kinetic and thermodynamic aspects of crystallization in the phase-change material Ge{sub 15}Sb{sub 85}

    Energy Technology Data Exchange (ETDEWEB)

    Zalden, Peter; Klein, Michael; Wuttig, Matthias [I. Physikalisches Institut, RWTH Aachen University (Germany); Coulet, Vanessa [IM2NP - UMR CNRS 6242, Aix-Marseille Universite, Marseille (France); Bichara, Christophe [CINaM - UPR CNRS 3118, Marseille (France)

    2009-07-01

    Phase-change materials exhibit a very rare combination of properties as they do not only show crystallization on the nanosecond time scale but also show a pronounced change of the optical reflectivity and the electronic resistivity upon crystallization. This property combination is already exploited in rewritable optical data storage and is explored in phase-change memories (PCM), which are considered to be the most promising candidate for future non-volatile electronic data storage. In this study, structural modifications in sputtered thin films during the transition from the as-deposited amorphous to the crystalline phase are analysed, employing a combination of differential scanning calorimetry and X-ray diffraction. This survey includes a systematic study of heat capacities and transition temperatures for different annealing conditions in the amorphous and partially crystallized state. In addition, diffractograms have been recorded ex-situ during different stages of the thermal treatment. These results indicate a segregation of a Ge-rich phase. A comparison to conventional tellurium based phase-change materials is presented.

  14. Sc-45 nuclear magnetic resonance analysis of precipitation in dilute Al-Sc alloys

    NARCIS (Netherlands)

    Celotto, S; Bastow, TJ

    Nuclear magnetic resonance (NMR) with Sc-45 is used to determine the solid solubility of scandium in aluminium and to follow the precipitation of Al3Sc during the ageing of an Al-0.06 at.% Sc alloy via the two fully resolved peaks, corresponding to Sc in the solid solution Al matrix and to Sc in the

  15. X-ray spectra, chemical bonding, and electron structure of ScM2Si2 (M = Fe, Co, Ni)

    International Nuclear Information System (INIS)

    Shcherba, I.D.; Kotur, B.Ya.

    1990-01-01

    In a study of the interaction of the components in the ternary systems Sc-M-Si (where M is a 3d transition metal) it was established that there are compounds of the empirical formula ScM 2 Si 2 (M = Fe, Co, Ni). They crystallize in two structural types, HfFe 2 Si 2 (the compound ScFe 2 Si 2 ) and CeGa 2 Al 2 (ScCo 2 Si 2 and ScNi 2 Si 2 ) (ref. 1), leading to different coordination environment of the atoms in the structures of the compounds. With the aim of investigating the electron structure and the type ofin these compounds, they authors made a systematic x-ray spectral investigation with simultaneous analysis of the crystal structures of ScM 2 Si 2

  16. Final Technical Report for Award SC0008613

    Energy Technology Data Exchange (ETDEWEB)

    Knopf, Daniel A. [Stony Brook Univ., NY (United States)

    2017-04-05

    Discovering how aerosol particles, present in the atmosphere in sizes of a few nanometers to hundred micrometers, initiate ice crystal formation represents a great challenge. Atmospheric ice nucleation is important because ice crystals alter the radiative properties of clouds and thus climate, and impact precipitation and thus the hydrological cycle. The difficulty in predicting atmospheric ice formation is attributable at least in part, to the diversity of ice nucleation pathways, the physical and chemical complexity of the ice nucleating particles (INPs), and the relatively small numbers of INPs (compared with all other aerosol particles), sometimes less than one in 100000. These factors in turn makes constraining ice nucleation parameterizations for modeling applications challenging. The majority of airborne particles are known to be organic in nature or contain organic biogenic material. The presence of organic material adds to the complexity of the particles and therefore the predictability of ice nucleation events since the organic species can display different phase states, e.g. liquid or solid, in response to temperature and humidity. The award DE-SC0008613 to PI Prof. Daniel Knopf at Stony Brook University, “Relating the Chemical and Physical Properties of Aerosols to the Water Uptake and Ice Nucleation Potential of Particles Collected During the Carbonaceous Aerosols and Radiative Effects Study (CARES)”, allowed examination of laboratory generated aerosol particles and field-collected particles for their propensity to nucleate ice under typical tropospheric conditions and relate ice nucleation to the physicochemical properties of the particles including their morphology and chemical composition. This in turn allowed for development of ice nucleation parameterizations for implementation in cloud models. The award resulted in 10 peer-reviewed publications and more than 20 seminar and conference presentations. We demonstrated that the rate of immersion

  17. Recent R&D trends in inorganic single crystal scintillator materials for radiation detection

    Czech Academy of Sciences Publication Activity Database

    Nikl, Martin; Yoshikawa, A.

    2015-01-01

    Roč. 3, č. 4 (2015), s. 463-481 ISSN 2195-1071 R&D Projects: GA MŠk(CZ) LH14266; GA ČR GAP204/12/0805 Institutional support: RVO:68378271 Keywords : scintillator * single crystal * luminescence Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 5.359, year: 2015

  18. Crystallization Kinetics of Nanocrystalline Materials by Combined X-ray Diffraction and Differential Scanning Calorimetry Experiments

    Czech Academy of Sciences Publication Activity Database

    Gil-González, E.; Perejón, A.; Sánchez-Jiménez, P. E.; Medina-Carrasco, S.; Kupčík, Jaroslav; Šubrt, Jan; Criado, J. M.; Pérez-Maqueda, L. A.

    2018-01-01

    Roč. 18, č. 5 (2018), s. 3107-3116 ISSN 1528-7483 Institutional support: RVO:61388980 Keywords : nanocrysalline alloys * combined X ray diffraction * crystallization kinetics Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 4.055, year: 2016

  19. Inverse gold photonic crystals and conjugated polymer coated opals for functional materials

    Energy Technology Data Exchange (ETDEWEB)

    Landon, P.B.; Gutierrez, Jose; Ferraris, John P.; Martinez, I.L.; Giridharagopal, Rajiv; Wu, Y.-C.; Lee, Sergey; Parikh, Kunjal; Gillespie, Jessica; Ussery, Geoffrey; Karimi, Behzad; Baughman, Ray; Zakhidov, Anvar; Glosser, R

    2003-10-01

    Inverse gold photonic crystals templated from synthetic opals with a face centered cubic (FCC) crystal lattice were constructed by heat converting gold chloride to metallic gold. Tetrahedral formations constructed of alternating large and small octahedrons oriented in the zinc sulfide structure were created by controlling the infiltration of gold chloride. Silica spheres were coated with polyanilinesulfonic acid, polypyrrole, poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) and 5 nm colloidal gold. Ordinary yeast cells were coated with polyanilinesulfonic acid, polypyrrole and 5 nm colloidal gold. Spheres coated with MEH-PPV were dispersed in H{sub 2}O and coated with polyelectrolytes which recharged and sterically stabilized the colloidal surfaces. The recharged spheres self-assembled by sedimentation with a FCC crystalline lattice possessing 500 {mu}m wide and 1 mm long crystallites. Silica spheres with diameters as large as 1500 {mu}m were self-assembled along the [1 0 0] direction of the FCC crystal lattice. Opals infiltrated with gold and opals constructed from polymer coated spheres were co-infiltrated with polypropylene yielding inverse polypropylene composite photonic crystals.

  20. Thiolato-technetium complexes. 5. Synthesis, characterization, and electrochemical properties of bis(o-phenylenebis(dimethylarsine))technetium(II) and -technetium(III) complexes with thiolato ligands. Single-crystal structural analyses of trans-[Tc(SCH3)2(DIARS)2]PF6 and trans-[Tc(SC6H5)2(DIARS)2]0

    International Nuclear Information System (INIS)

    Konno, Takumi; Heineman, W.R.; Deutsch, E.; Kirchhoff, J.R.; Heeg, M.J.; Stuckey, J.A.

    1992-01-01

    Three different thiols have been brought into reaction with trans-[Tc(OH)(O)(DIARS) 2 ] 2+ to produce initially the Tc(II) complex, [Tc(SR) 2 (DIARS) 2 ] 0 , which can be oxidized to the Tc(III) complex, [Tc(SR) 2 (DIARS) 2 ] + (DIARS = o-phenylenebis(dimethylarsine)). In the case of SR = SCH 3 and SCH 2 C 6 H 5 , the Tc(II) and Tc(III) products were found to be in the trans geometry, while for SR = SC 6 H 5 , both cis and trans isomers were generated. Two of the complexes were structurally characterized by X-ray diffraction. trans-[Tc(SCH 3 ) 2 (DIARS) 2 ]PF 6 , chemical formula TcAs 4 S 2 PF 6 C 22 H 38 , crystallizes in the monoclinic space group. The Tc atom occupies an inversion center. Representative elemental analyses, FAB mass spectra, and visible-UV spectra are reported. Electrochemical and spectroelectrochemical measurements were taken on trans-[Tc(SCH 3 ) 2 (DIARS) 2 ] + , trans-[Tc(SCH 2 C 6 H 5 ) 2 (DIARS) 2 ] + , and cis-[Tc(SC 6 H 5 ) 2 (DIARS) 2 ] + , which exhibit a reversible Tc(III/II) redox couple in the range -0.32 to -0.47 V vs. Ag/AgCl. Another redox couple is present in the range -1.22 to -1.70 V; this is ascribed to Tc(II/I) and is reversible only for SR = SCH 2 C 6 H 5 at 20C. At room temperature, chemically irreversible couples are exhibited at ca. +1.0 V for Tc(IV/III)

  1. Facile crystal-structure-controlled synthesis of iron oxides for adsorbents and anode materials of lithium batteries

    International Nuclear Information System (INIS)

    Luo, Yao; Liu, Lihu; Qiao, Wencan; Liu, Fan; Zhang, Yashan; Tan, Wenfeng; Qiu, Guohong

    2016-01-01

    Iron oxides exhibit excellent physicochemical properties as functional materials because of the diversity of crystal structure. Nano-sized iron oxides, including akaganite (β-FeOOH), maghemite (γ-Fe_2O_3), ferrihydrite (Fe_5HO_8∙4H_2O) and hematite (α-Fe_2O_3), were prepared by a facile reflux treatment of iron powder in NaClO solution at 50 °C for 12 h. The crystal structures were controlled by adjusting the pH values of reaction systems. Akaganite, maghemite, ferrihydrite, and hematite were formed when pHs were adjusted to 2–4, 6, 8, and 10, respectively. They showed excellent adsorption performance for As(III), and the adsorption capacity was affected by crystal structure as well as specific surface area. The maximum adsorption capacity for akaganite, maghemite, ferrihydrite, and hematite reached 89.8, 79.1, 78.4, and 63.4 mg g"−"1, respectively. Hematite showed lithium storage capacity of 2043 mAh g"−"1 for the first cycle and then kept stable after twenty cycles at a current density of 100 mA g"−"1. The discharge specific capacity stabilized at 639 mAh g"−"1 after 100 cycles. The as-prepared iron oxides might be applied as potential adsorbents and anode materials for rechargeable lithium-ion battery. - Highlights: • Nano-sized ferric oxides were fabricated by refluxing iron powder in NaClO solutions. • Crystal structures were controlled by adjusting pHs from 2.0 to 10.0 in systems. • Akaganite exhibited the largest As(III) adsorption capacity of 89.8 mg g"−"1. • Hematite had lithium storage capacity of 639 mAh g"−"1 after 100 cycles.

  2. [Roberts-SC phocomelia syndrome].

    Science.gov (United States)

    Musfeld, D A; Bühler, E M; Heinzl, S

    2001-01-01

    The Roberts-SC phocomelia syndrome is a rare autosomal recessive inherited disorder clinically manifested by tetraphocomelia, pre- and postnatal growth retardation, and craniofacial abnormalities (skull, eyes, lip, and palate), accompanied at times by centromer puffing and splitting, renal abnormalities, heart defect, clitoral or penile enlargement, and bilateral corneal opacities. Mental retardation is common in surviving patients.

  3. Rotary condenser for SC2

    CERN Multimedia

    1975-01-01

    During 1975 the SC2 performance was improved among other things by redesigning some of the elements of the ROTCO (Annual Report 1975, p. 55). The photo shows an interior wiew of the housing of the rotary condenser and of the sixteen sets of shaped stator blades.

  4. Atomic bonding and mechanical properties of Al-Mg-Zr-Sc alloy

    Institute of Scientific and Technical Information of China (English)

    高英俊; 班冬梅; 韩永剑; 钟夏平; 刘慧

    2004-01-01

    The valence electron structures of Al-Mg alloy with minor Sc and Zr were calculated according to the empirical electron theory(EET) in solid. The results show that because of the strong interaction of Al atom with Zr and Sc atom in melting during solidification, the Al3 Sc and Al3 (Sc1-xZrx) particles which act as heterogeneous nuclear are firstly crystallized in alloy to make grains refine. In progress of solidification, the Al-Sc, Al-Zr-Sc segregation regions are formed in solid solution matrix of Al-Mg alloy owing to the strong interaction of Al atom with Zr, Scatoms in bulk of alloy, so in the following homogenization treatment, the finer dispersed Al3 Sc and Al3 (Sc1-x Zrx) second-particles which are coherence with the matrix are precipitated in the segregation region. These finer second particles with the strong Al-Zr, Al-Sc covalent bonds can strengthen the covalent bonds in matrix of the alloy, and also enhance the hardness and strength of Al-Mg alloy. Those finer second-particles precipitated in interface of sub-grains can also strengthen the covalence bonds there, and effectively hinder the interface of sub-grains from migrating and restrain the sub-grains from growing, and cause better thermal stability of Al-Mg alloy.

  5. Synthesis, growth, spectral, electrical, mechanical and thermal characterization of a potential optical material: γ-glycine single crystal

    Science.gov (United States)

    Sivakumar, N.; Jayavel, R.; Anbalagan, G.; Yadav, R. R.

    2018-06-01

    Gamma glycine, an organic material was grown by slow solvent evaporation method. Conventional polythermal method was employed in the temperature range, 30-50 °C to obtain the solubility and the metastable zonewidth. The crystal and molecular structures were analyzed by X-ray powder diffraction, FT-IR and FT-Raman spectral studies. Optical refractive index was determined by prism coupling technique and was found to be 1.4488. Electrical properties such as ac conductivity and activation energy were studied for different temperatures in the frequency range from 40 Hz to 6 MHz. The dc electrical conductivity was estimated from the Cole-Cole plot and the values were found to be 2.19 × 10-6 Sm-1 at 353K and 1.46 × 10-6 Sm-1 at 373K respectively. Mechanical studies on the grown crystal revealed that the material belongs to soft materials category. Thermal conductivity and specific heat capacities were estimated by Hot Disk Thermal Constants Analyzer.

  6. Prize for Industrial Applications of Physics: Reflective Cholesteric Liquid Crystals - Innovations in Materials, Display Technology, and Commercialization

    Science.gov (United States)

    Khan, Asad

    Reflective Cholesteric Liquid Crystals have been the subject of much research, development, and commercialization - in display technology as well as other embodiments, such as sensors, privacy films, etc. The liquid Crystal Institute (LCI) at Kent State University (KSU) served as a hot bed of much of the research and development in this field in the early 1990's. From here, the reflective technology was licensed to Kent Displays (KDI) to further develop and commercialize. The 90's saw some development in flexible technologies, drive scheme, display design, as well as materials. The early part of the century took a turn with a strong effort in encapsulation based flexible display development. In 2006, KDI engineers and technologists started firming up ambitious plans for the world's first roll-to-roll manufacturing line for bistable cholesteric displays. In 2009, this became a reality! In early 2010, the first eWriter product was launched into the consumer market under the brand Boogie Board®. Within months, this became a success forcing the rapid development of the manufacturing process for the flexible displays. Today, the company has two manufacturing lines, 24 hour roll-to-roll production of flexible displays, millions of Boogie Board products in the global market place, and a growing OEM business in the Boogie Board technology. KDI continues to do basic research, development, and exploration in the bistable display field. It also has had to become an expert in the supply chain management of the unique raw materials needed for flexible display manufacturing, while still managing global operations with sales offices in several continents and a growing and diversified group of individuals. In this presentation, we will present the story, research, development, technology, and latest trends in bistable cholesteric liquid crystal materials with a particular emphasis on the eWriter technology and market.

  7. Determination of 46Sc in water

    International Nuclear Information System (INIS)

    Huo Bijun; Ji Zhaogang; Wang Juying

    1985-01-01

    Analytical procedures for the determination of 46 Sc in water is presented. 46 Sc in water is concentrated with Fe(OH) 3 ; Then 46 Sc is extracted with TBP and purified by precipitating it with Amygdalic Acid. Finally the precipitate is ignited into Sc 2 O 3 under 800 deg C and β-activity is counted. In this method chemical reeovery for Sc was (90.8 +- 2.8)% and radiochemical recovery for 46 Sc was (89.8 +- 3.8)%. Purification factors for some of the relevant Radionuclides ranged from 10 3 to 10 5

  8. 2D Crystal Semiconductors New Materials for GHz-THz Devices

    Science.gov (United States)

    2015-10-02

    authorization procedures , e.g. RD/FRD, PROPIN, ITAR, etc. Include copyright information. 13. SUPPLEMENTARY NOTES. Enter information not included elsewhere...out of the plane in equilibrium. The energy bandgaps and the band lineups of a few 2-D crystals are shown in Fig. 2. The figure also indicates the...Phys. Lett., vol. 72, pp. 1899–1901, 1998. [34] R. Schlaf, O. Lang, C. Pettenkofer, and W. Jaegermann, ‘‘Band lineup of layered semiconductor

  9. Crystal structure of the binder phase in a model HfC-TiC-Ni material

    International Nuclear Information System (INIS)

    Heiligers, Christiane; Neethling, Johannes H.

    2008-01-01

    The crystal structure of the binder phase in a model HfC-TiC-Ni sample produced by hot pressing is investigated. The nature of the binder depends on the amount of Hf and Ti that remains in solution with Ni after cooling. Four different crystal structures are identified by analysis of electron diffraction patterns obtained using transmission electron microscopy techniques and the composition of the phases determined by energy dispersive X-ray spectrometry. Three of the phases are cubic; Ni, Ni 3 (Ti,Hf) and Ni 23 (Ti,Hf) 6 with lattice parameters of 3.52 ± 0.05, 3.52 ± 0.03 and 10.70 ± 0.40 A, respectively. The hexagonal phase is an intermetallic Ni 3 Ti phase, with lattice parameters of a = b = 5.00 ± 0.20 A and c = 8.16 ± 0.20 A. The crystal structures are confirmed by simulations of the electron diffraction patterns using JEMS software

  10. Influence of iron on crystallization behavior and thermal stability of the insulating materials - porous calcium silicates

    DEFF Research Database (Denmark)

    Haastrup, Sonja; Yu, Donghong; Yue, Yuanzheng

    2017-01-01

    The properties of porous calcium silicate for high temperature insulation are strongly influenced by impurities. In this work we determine the influence of Fe3+ on the crystallization behavior and thermal stability of hydrothermally derived calcium silicate. We synthesize porous calcium silicate...... with Ca/Si molar ratio of 1, to which Fe2O3 is added with Fe/Si molar ratios of 0.1, 0.5, 0.7, 1.0, and 1.3%. Structure and morphology of the porous calcium silicate, with different iron concentrations, are investigated using Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD). FTIR...... measurements reveal a pronounced decrease in the number of Q3 sites in the calcium silicate with an increase of Fe3+, and thereby lower the crystal fraction of xonotlite (Ca6Si6O17(OH)2) phase, and increase the crystal fractions of tobermorite(Ca5Si6O16(OH)2·4H2O) and calcite (CaCO3) phases, as confirmed...

  11. An Assessment of New Applications for Single-Crystal Piezoelectric Materials

    National Research Council Canada - National Science Library

    Veitch, Lisa

    1998-01-01

    Piezoelectricity was first discovered by the Curie brothers in 1880. During the 1940s, piezoelectric ceramic materials were first used in commercial devices, and new materials and other applications have continued to develop over the years...

  12. Compensation of native donor doping in ScN: Carrier concentration control and p-type ScN

    Science.gov (United States)

    Saha, Bivas; Garbrecht, Magnus; Perez-Taborda, Jaime A.; Fawey, Mohammed H.; Koh, Yee Rui; Shakouri, Ali; Martin-Gonzalez, Marisol; Hultman, Lars; Sands, Timothy D.

    2017-06-01

    Scandium nitride (ScN) is an emerging indirect bandgap rocksalt semiconductor that has attracted significant attention in recent years for its potential applications in thermoelectric energy conversion devices, as a semiconducting component in epitaxial metal/semiconductor superlattices and as a substrate material for high quality GaN growth. Due to the presence of oxygen impurities and native defects such as nitrogen vacancies, sputter-deposited ScN thin-films are highly degenerate n-type semiconductors with carrier concentrations in the (1-6) × 1020 cm-3 range. In this letter, we show that magnesium nitride (MgxNy) acts as an efficient hole dopant in ScN and reduces the n-type carrier concentration, turning ScN into a p-type semiconductor at high doping levels. Employing a combination of high-resolution X-ray diffraction, transmission electron microscopy, and room temperature optical and temperature dependent electrical measurements, we demonstrate that p-type Sc1-xMgxN thin-film alloys (a) are substitutional solid solutions without MgxNy precipitation, phase segregation, or secondary phase formation within the studied compositional region, (b) exhibit a maximum hole-concentration of 2.2 × 1020 cm-3 and a hole mobility of 21 cm2/Vs, (c) do not show any defect states inside the direct gap of ScN, thus retaining their basic electronic structure, and (d) exhibit alloy scattering dominating hole conduction at high temperatures. These results demonstrate MgxNy doped p-type ScN and compare well with our previous reports on p-type ScN with manganese nitride (MnxNy) doping.

  13. Effects of crystal structure and composition on the photocatalytic performance of Ta-O-N functional materials.

    Science.gov (United States)

    Liu, Qing-Lu; Zhao, Zong-Yan; Yi, Jian-Hong

    2018-05-07

    For photocatalytic applications, the response of a material to the solar spectrum and its redox capabilities are two important factors determined by the band gap and band edge position of the electronic structure of the material. The crystal structure and composition of the photocatalyst are fundamental for determining the above factors. In this article, we examine the functional material Ta-O-N as an example of how to discuss relationships among these factors in detail with the use of theoretical calculations. To explore how the crystal structure and composition influence the photocatalytic performance, two groups of Ta-O-N materials were considered: the first group included ε-Ta 2 O 5 , TaON, and Ta 3 N 5 ; the second group included β-Ta 2 O 5 , δ-Ta 2 O 5 , ε-Ta 2 O 5 , and amorphous-Ta 2 O 5 . Calculation results indicated that the band gap and band edge position are determined by interactions between the atomic core and valence electrons, the overlap of valence electronic states, and the localization of valence states. Ta 3 N 5 and TaON are suitable candidates for efficient photocatalysts owing to their photocatalytic water-splitting ability and good utilization efficiency of solar energy. δ-Ta 2 O 5 has a strong oxidation potential and a band gap suitable for absorbing visible light. Thus, it can be applied to photocatalytic degradation of most pollutants. Although a-Ta 2 O 5 , ε-Ta 2 O 5 , and β-Ta 2 O 5 cannot be directly used as photocatalysts, they can still be applied to modify conventional Ta-O-N photocatalysts, owing to their similar composition and structure. These calculation results will be helpful as reference data for analyzing the photocatalytic performance of more complicated Ta-O-N functional materials. On the basis of these findings, one could design novel Ta-O-N functional materials for specific photocatalytic applications by tuning the composition and crystal structure.

  14. Magnetic moment of {sup 48}Sc

    Energy Technology Data Exchange (ETDEWEB)

    Ohtsubo, T., E-mail: tohtsubo@np.gs.niigata-u.ac.jp; Kawamura, Y.; Ohya, S. [Niigata University, Department of Physics (Japan); Izumikawa, T. [Niigata University, Radioisotope Center (Japan); Nishimura, K. [Toyama University, Faculty of Engineering (Japan); Muto, S. [Neutron Science Laboratory, KEK (Japan); Shinozuka, T. [Tohoku University, Cyclotron and Radioisotope Center (Japan)

    2007-11-15

    Nuclear magnetic resonances were measured for {sup 48}Sc and {sup 44m}Sc oriented at 8 mK in an Fe host metal. The magnetic hyperfine splitting frequencies at an external magnetic field of 0.2 T were determined to be 63.22(11) MHz and 64.81(1) MHz for {sup 48}Sc and {sup 44m}Sc, respectively. With the known magnetic moment of {mu}({sup 44m}Sc)=+3.88 (1) {mu}{sub N}, the magnetic moment of {sup 48}Sc is deduced as {mu}({sup 44}Sc)=+3.785(12) {mu}{sub N}. The measured magnetic moment of {sup 48}Sc is discussed in terms of the shell model using the effective interactions.

  15. Crystal structure and luminescence properties of (Ca{sub 2.94-x}Lu{sub x}Ce{sub 0.06})(Sc{sub 2-y}Mg{sub y})Si{sub 3}O{sub 12} phosphors for white LEDs with excellent colour rendering and high luminous efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Liu Yongfu; Zhang Xia; Hao Zhendong; Lu Wei; Liu Xingyuan; Zhang Jiahua [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 3888 Eastern South Lake Road, Changchun 130033 (China); Wang Xiaojun, E-mail: zhangjh@ciomp.ac.cn [Department of Physics, Georgia Southern University, Statesboro, GA 30460 (United States)

    2011-02-23

    Lu-modified (Ca{sub 2.94-x}Lu{sub x}Ce{sub 0.06})(Sc{sub 2-y}Mg{sub y})Si{sub 3}O{sub 12} (CLSMS : Ce{sup 3+}) yellow emitting phosphors are prepared by a solid-state reaction. Controllable luminescent intensity and emitting colour are studied as a function of Lu and Mg contents. Fixing the Mg content to be 1, the effect of Lu content on crystal phase formation, luminescence properties and temperature characteristics is studied. It is revealed that the Lu-induced luminescent enhancement is the result of an increase in absorbance of Ce{sup 3+} rather than the internal quantum efficiency. Intense and broadband emission is realized by controlling the Lu content to obtain a pure CLSMS crystal phase. The maximum luminescence intensity is obtained at x = 0.54, which is as high as 156% of the Lu-free phosphor. The Lu-containing phosphor also exhibits better temperature characteristics for its big activation energy (0.20 eV) than the Lu-free one (0.18 eV). Combining the present phosphor with a blue light-emitting diode (LED) chip, a white LED with an excellent colour rendering index R{sub a} of 86 and a high luminous efficiency of 86 lm W{sup -1} is obtained. The results of the present study demonstrate that the CLSMS : Ce{sup 3+} phosphors show a good performance and are attractive candidates for commercial applications when used in white LEDs.

  16. Single Crystal Growth of Pure Co3+ Oxidation State Material LaSrCoO4

    Directory of Open Access Journals (Sweden)

    Hanjie Guo

    2016-08-01

    Full Text Available We report on the single crystal growth of the single-layer perovskite cobaltate LaSrCoO4 that was grown by the optical floating zone method using high oxygen pressures. Phase purity and single crystallinity were confirmed by X-ray diffraction techniques. The pure Co3+ oxidation state was confirmed by X-ray absorbtion spectroscopy measurements. A transition to a spin glass state is observed at ∼7 K in magnetic susceptibility and specific heat measurements.

  17. Effects of loss factors on zero permeability and zero permittivity gaps in 1D photonic crystal containing DNG materials

    International Nuclear Information System (INIS)

    Aghajamali, Alireza; Alamfard, Tannaz; Barati, Mahmood

    2014-01-01

    The effects of electric and magnetic loss factors on zero-= and zero-= gaps in a one-dimensional lossy photonic crystal composed of double-negative and double-positive materials are theoretically investigated by employing the characteristic matrix method. This study contradicts the previous reports as it indicates that by applying the inevitable factors of electric and magnetic losses to the double-negative material, the zero-= and zero-= gaps appear simultaneously in the transmission spectrum, being independent of the incidence angle and polarizations. Moreover, the results show that these gaps appear not only for an oblique incidence but also in the case of normal incidence, and their appearance at the normal incidence is directly related to the magnetic and electric loss factors. Besides, the results indicate that as the loss factors and angle of incidence increase, the width of both gaps also increases

  18. Influence of Bias on the Friction Imaging of Ferroelectric Domains in Single Crystal Barium Titanate Energy Storage Materials

    Directory of Open Access Journals (Sweden)

    Lan Chen

    2014-01-01

    Full Text Available The friction imaging of newlycleaved surface domains of single crystal BaTiO3 energy storage materials under both positive and negative voltage bias is investigated by scanning force microscope. When the bias was applied and reversed, three regions with different brightness and contrast in friction image indicated different response to the biases: the friction image of domain A displayed a great change in brightness while domains B and C displayed only a very small change. Possible mechanisms of the interesting phenomena originating from different static force between different charged tip and the periodical array of surface charges inside the inplane domains were proposed. These results provide a new method for the determination of the polarization direction for the domain parallel to the surface and may be useful in the investigation of ferroelectric energy storage materials, especially the relationship between the polarization direction of domain and the bias.

  19. Frequency shift of a crystal quartz resonator in thickness-shear modes induced by an array of hemispherical material units.

    Science.gov (United States)

    Yuantai Hu; Huiliang Hu; Bin Luo; Huan Xue; Jiemin Xie; Ji Wang

    2013-08-01

    A two-dimensional model was established to study the dynamic characteristics of a quartz crystal resonator with the upper surface covered by an array of hemispherical material units. A frequency-dependent equivalent mass ratio was proposed to simulate the effect of the covered units on frequency shift of the resonator system. It was found that the equivalent mass ratio alternately becomes positive or negative with change of shear modulus and radius of each material unit, which indicates that the equivalent mass ratio is strongly related to the vibration mode of the covered loadings. The further numerical results show the cyclical feature in the relationship of frequency shift and shear modulus/radius as expected. The solutions are useful in the analysis of frequency stability of quartz resonators and acoustic wave sensors.

  20. Research progress of cholesteric liquid crystals with broadband reflection characteristics in application of intelligent optical modulation materials

    International Nuclear Information System (INIS)

    Zhang Lan-Ying; Gao Yan-Zi; Song Ping; Yuan Xiao; He Bao-Feng; Yang Huai; Wu Xiao-Juan; Chen Xing-Wu; Hu Wang; Guo Ren-Wei; Ding Hang-Jun; Xiao Jiu-Mei

    2016-01-01

    Cholesteric liquid crystals (CLCs) have recently sparked an enormous amount of interest in the development of soft matter materials due to their unique ability to self-organize into a helical supra-molecular architecture and their excellent selective reflection of light based on the Bragg relationship. Nowadays, by the virtue of building the self-organized nanostructures with pitch gradient or non-uniform pitch distribution, extensive work has already been performed to obtain CLC films with a broad reflection band. Based on authors’ many years’ research experience, this critical review systematically summarizes the physical and optical background of the CLCs with broadband reflection characteristics, methods to obtain broadband reflection of CLCs, as well as the application in the field of intelligent optical modulation materials. Combined with the research status and the advantages in the field, the important basic and applied scientific problems in the research direction are also introduced. (topical review)

  1. AlScN thin film based surface acoustic wave devices with enhanced microfluidic performance

    OpenAIRE

    Wang, Wenbo; Fu, Yong Qing; Chen, Jinju; Xuan, Weipeng; Chen, Jinkai; Mayrhofer, Paul; Duan, Pengfei; Bittner, Elmar; Luo, Jikui

    2016-01-01

    This paper reports the characterization of scandium aluminum nitride (Al1−x Sc x N, x  =  27%) films and discusses surface acoustic wave (SAW) devices based on them. Both AlScN and AlN films were deposited on silicon by sputtering and possessed columnar microstructures with (0 0 0 2) crystal orientation. The AlScN/Si SAW devices showed improved electromechanical coupling coefficients (K 2, ~2%) compared with pure AlN films (

  2. Crystal structure and ionic conduction path of solid electrolytic materials by high temperature neutron diffraction method

    International Nuclear Information System (INIS)

    Yashima, Masatomo; Nomura, Katsuhiro

    2005-01-01

    Research of the distribution of oxide ions and the ionic conduction path of bismuth oxide (Bi 2 O 3 ), cerium oxide (CeO 2 ) and lanthanum gallate ((La 0.8 Sr 0.2 )(Ga 0.8 Mg 0.15 Co 0.05 )O 3-δ ) is stated. The high temperature neutron diffraction method, analytical method such as Rietveld method, crystal structure analysis of ionic conductor and MEM (Maximum- Entropy Method) are explained. The nuclear density distribution of oxide ions in bismuth oxide showed so larger distribution in the direction of and than Bi ions that the oxide ions conducted these direction in the crystal. The nuclear density distribution of oxide ions of cerium oxide indicated larger distribution in the direction of than Ce ions and its tendency was remarkable at high temperature. Accordingly, the oxide ions conducted in the direction of and . The oxide ions distribution in lanthanum gallate compound was larger and complicated than positive ions. The oxide ions conducted to by describing an arc between the two stable positions. The nuclear density on the conduction path increased with increasing temperature. This above result corresponded to increase of oxide ion conductivity in the area. (S.Y.)

  3. Band structure of the quaternary Heusler alloys ScMnFeSn and ScFeCoAl

    Science.gov (United States)

    Shanthi, N.; Teja, Y. N.; Shaji, Shephine M.; Hosamani, Shashikala; Divya, H. S.

    2018-04-01

    In our quest for materials with specific applications, a theoretical study plays an important role in predicting the properties of compounds. Heusler alloys or compounds are the most studied in this context. More recently, a lot of quaternary Heusler compounds are investigated for potential applications in fields like Spintronics. We report here our preliminary study of the alloys ScMnFeSn and ScFeCoAl, using the ab-initio linear muffin-tin orbital method within the atomic sphere approximation (LMTO-ASA). The alloy ScMnFeSn shows perfect half-metallicity, namely, one of the spins shows a metallic behaviour and the other spin shows semi-conducting behaviour. Such materials find application in devices such as the spin-transfer torque random access memory (STT-MRAM). In addition, the alloy ScMnFeSn is found to have an integral magnetic moment of 4 µB, as predicted by the Slater-Pauling rule. The alloy ScFeCoAl does not show half-metallicity.

  4. A crystal chemistry approach for high-power ytterbium doped solid-state lasers: diffusion-bonded crystals and new crystalline hosts

    International Nuclear Information System (INIS)

    Gaume, R.

    2002-11-01

    This work deals with ytterbium based crystals for high-power laser applications. In particular, we focus our interest in reducing crystal heating and its consequences during laser operation following two different ways. First, we review the specific properties of ytterbium doped solid-state lasers in order to define a figure-of-merit which gives the evaluation of laser performances, thermo-mechanical and thermo-optical properties. Bearing in mind this analysis, we propose a set of theoretical tools, based on the crystallographic structure of the crystal and its chemical composition, to predict thermo-mechanical and optical potentials. This approach, used for the seek of new Yb 3+ -doped materials for high-power laser applications, shows that simple oxides containing rare-earths are favorable. Therefore, the spectroscopic properties of six new materials Yb 3+ :GdVO 4 , Yb 3+ :GdAlO 3 , Yb 3+ :Gd 2 O 3 , Yb 3+ :Sc 2 SiO 5 , Yb 3+ :CaSc 2 O 4 and Yb 3+ :SrSc 2 O 4 are described. The second aspect developed in this work deals with thermal properties enhancement of already well characterized laser materials. Two different ways are explored: a) elaboration by diffusion bonding of end-caps lasers with undoped crystals (composite crystals). Thus, different composites were obtained and a fairly lowering of thermal lensing effect was observed during laser operation. b) strengthening of crystalline structures by ionic substitution of one of its constituents. We demonstrate how crystal growth ability can be improved by a cationic substitution in the case of Yb 3+ :BOYS, a largely-tunable laser material which is of great interest for femtosecond pulses generation. (author)

  5. Ultrawide low frequency band gap of phononic crystal in nacreous composite material

    International Nuclear Information System (INIS)

    Yin, J.; Huang, J.; Zhang, S.; Zhang, H.W.; Chen, B.S.

    2014-01-01

    The band structure of a nacreous composite material is studied by two proposed models, where an ultrawide low frequency band gap is observed. The first model (tension-shear chain model) with two phases including brick and mortar is investigated to describe the wave propagation in the nacreous composite material, and the dispersion relation is calculated by transfer matrix method and Bloch theorem. The results show that the frequency ranges of the pass bands are quite narrow, because a special tension-shear chain motion in the nacreous composite material is formed by some very slow modes. Furthermore, the second model (two-dimensional finite element model) is presented to investigate its band gap by a multi-level substructure scheme. Our findings will be of great value to the design and synthesis of vibration isolation materials in a wide and low frequency range. Finally, the transmission characteristics are calculated to verify the results. - Highlights: • A Brick-and-Mortar structure is used to discuss wave propagation through nacreous materials. • A 1D Bloch wave solution of nacreous materials with a tension-shear chain model is obtained. • The band structure and transmission characteristics of nacreous materials with the FE model are examined. • An ultrawide low frequency band gap is found in nacreous materials with both theory and FE model

  6. New self-assembled material based on Ru nanoparticles and 4-sulfocalix[4]arene as an efficient and recyclable catalyst for reduction of brilliant yellow azo dye in water: a new model catalytic reaction

    Energy Technology Data Exchange (ETDEWEB)

    Rambabu, Darsi; Pradeep, Chullikkattil P.; Dhir, Abhimanew, E-mail: abhimanew@iitmandi.ac.in [Indian Institute of Technology (India)

    2016-12-15

    New self-assembled material (Ru@SC) with ruthenium nanoparticles (Ru NPs) and 4-sulfocalix[4]arene (SC) is synthesized in water at room temperature. Ru@SC is characterized by thermal gravimetric analysis, FT-IR, powder x-ray diffraction, TEM and SEM analysis. The size of Ru nanoparticles in the self-assembly is approximately 5 nm. The self-assembled material Ru@SC shows an efficient catalytic reduction of toxic ‘brilliant yellow’ (BY) azo dye. The reduced amine products were successfully separated and confirmed by single-crystal XRD, NMR and UV-Vis spectroscopy. Ru@SC showed a better catalytic activity in comparison with commercial catalysts Ru/C (ruthenium on charcoal 5 %) and Pd/C (palladium on charcoal 5 and 10 %). The catalyst also showed a promising recyclability and heterogeneous nature as a catalyst for reduction of ‘BY’ azo dye.

  7. Facile crystal-structure-controlled synthesis of iron oxides for adsorbents and anode materials of lithium batteries

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Yao; Liu, Lihu; Qiao, Wencan; Liu, Fan [College of Resources and Environment, Huazhong Agricultural University, Wuhan, 430070 (China); Zhang, Yashan [Department of Chemistry, University of Connecticut, Storrs, 55 North Eagleville Road, Storrs, CT, 06269 (United States); Tan, Wenfeng [College of Resources and Environment, Huazhong Agricultural University, Wuhan, 430070 (China); Qiu, Guohong, E-mail: qiugh@mail.hzau.edu.cn [College of Resources and Environment, Huazhong Agricultural University, Wuhan, 430070 (China)

    2016-02-15

    Iron oxides exhibit excellent physicochemical properties as functional materials because of the diversity of crystal structure. Nano-sized iron oxides, including akaganite (β-FeOOH), maghemite (γ-Fe{sub 2}O{sub 3}), ferrihydrite (Fe{sub 5}HO{sub 8}∙4H{sub 2}O) and hematite (α-Fe{sub 2}O{sub 3}), were prepared by a facile reflux treatment of iron powder in NaClO solution at 50 °C for 12 h. The crystal structures were controlled by adjusting the pH values of reaction systems. Akaganite, maghemite, ferrihydrite, and hematite were formed when pHs were adjusted to 2–4, 6, 8, and 10, respectively. They showed excellent adsorption performance for As(III), and the adsorption capacity was affected by crystal structure as well as specific surface area. The maximum adsorption capacity for akaganite, maghemite, ferrihydrite, and hematite reached 89.8, 79.1, 78.4, and 63.4 mg g{sup −1}, respectively. Hematite showed lithium storage capacity of 2043 mAh g{sup −1} for the first cycle and then kept stable after twenty cycles at a current density of 100 mA g{sup −1}. The discharge specific capacity stabilized at 639 mAh g{sup −1} after 100 cycles. The as-prepared iron oxides might be applied as potential adsorbents and anode materials for rechargeable lithium-ion battery. - Highlights: • Nano-sized ferric oxides were fabricated by refluxing iron powder in NaClO solutions. • Crystal structures were controlled by adjusting pHs from 2.0 to 10.0 in systems. • Akaganite exhibited the largest As(III) adsorption capacity of 89.8 mg g{sup −1}. • Hematite had lithium storage capacity of 639 mAh g{sup −1} after 100 cycles.

  8. Enhancement of blue upconversion luminescence in hexagonal NaYF{sub 4}:Yb,Tm by using K and Sc ions

    Energy Technology Data Exchange (ETDEWEB)

    Kale, Vishal, E-mail: vishal.kale@utu.fi; Soukka, Tero [University of Turku, Department of Biochemistry and Food Chemistry/Biotechnology (Finland); Hoelsae, Jorma; Lastusaari, Mika [University of Turku, Department of Chemistry (Finland)

    2013-08-15

    Hexagonal ({beta})-NaYF{sub 4} is recognized as one of the most efficient hosts for NIR to blue and green upconversion (UC). A new method to tune the blue UC emission in {beta}-NaYF{sub 4}:Yb,Tm nanocrystals through the possible substitution of the host material with different concentrations of K{sup +} and Sc{sup 3+} ions was investigated in detail. In this work, Na{sub 1-x}K{sub x}YF{sub 4}:Yb,Tm and NaY{sub 1-x}Sc{sub x}F{sub 4}:Yb,Tm nanocrystals were synthesized with varying Na:K and Y:Sc ratios. X-ray diffraction, transmission electron microscopy, and UC luminescence spectroscopy showed that size, morphology, and UC luminescence intensity were affected by the addition of K{sup +} and Sc{sup 3+} ions. Substituted ions disturbed the local symmetry and also resulted in changes in the crystal field. The distance between Yb{sup 3+} and Tm{sup 3+} was affected by different concentration of K{sup +} and Sc{sup 3+} ions, and those differences in the distance are responsible for tuning UC luminescence. This study revealed that when the concentration of K{sup +} and Sc{sup 3+} ions were nominally increased from 20 to 100 mol% during synthesis, hexagonal NaYF{sub 4} changed to structurally different KYF{sub 4} and Na{sub 3}ScF{sub 6} so that the solid solubility became difficult. We also demonstrate that the added K{sup +} does not enter into the NaYF{sub 4} lattice, but it still plays an important role by controlling the Na/R ratio. K{sup +} and Sc{sup 3+} ion concentration of 20 mol% during the synthesis was found to result in materials with size 30-35 nm, and shows ca. four times brighter UC emission than the previously reported lanthanide based nanocrystals. The enhancement in UC luminescence intensity makes upconversion nanophosphors versatile imaging tools for diagnosis.Graphical Abstract.

  9. Substitutional HCN- molecular ions in KCN crystal: a paramagnetic probe in a ferroelastic material

    International Nuclear Information System (INIS)

    Weid, J.P. von der; Carmo, L.C.S. do; Ribeiro, S.C.

    1978-01-01

    The HCN - molecular ion was produced in single crystals of KCN: 10 -2 OH - irradiated by UV light at 77 K. The spin Hamiltonian parameters were measured at 60 K and the temperature dependence of the spectrum was investigated between 60 K and 170 K. This temperature dependence is explained by the rapid motion of the molecule with the increasing temperature and the elastic interaction of the molecule with the surrounding ions. Using the similarity between the paramagnetic HCN - molecule and the CN - ions of the host lattice a qualitative picture of the local phenomena occuring in the ferroelastic phase of KCN could be made and the energy of the elastic interaction between CN - was estimated of the order of 7 meV [pt

  10. Spectrographic determination of dysprosium in doped crystals of calcium sulfate used for dosimetric material

    International Nuclear Information System (INIS)

    Grigoletto, T.; Lordello, A.R.

    1984-01-01

    A spectrographic method is described for the quantitative determination of dysprosium in doped crystals of calcium sulphate. The consequences of the changes in some parameters of the excitation conditions, such as arc current, electrode type and total or partial burning of sample, in the analytical results are discussed. Matrix effects are investigated. Variations in the intensity of the spectral lines are verified by recording the spectrum in distinct photographic plates. The role of internal standard in analytical reproducibility and in counterbalance of the variations in the arc current and in the weight of sample is studied. Accuracy is estimated by comparative analysis of two calcium sulphate samples by X-Ray Fluorescence, Neutron Activation and Inductive Coupled Plasma Emission Spectroscopy. (M.A.C.) [pt

  11. Integration of molecular machines into supramolecular materials: actuation between equilibrium polymers and crystal-like gels.

    Science.gov (United States)

    Mariani, Giacomo; Goujon, Antoine; Moulin, Emilie; Rawiso, Michel; Giuseppone, Nicolas; Buhler, Eric

    2017-11-30

    In this article, the dynamic structure of complex supramolecular polymers composed of bistable [c2]daisy chain rotaxanes as molecular machines that are linked by ureidopyrimidinones (Upy) as recognition moieties was studied. pH actuation of the integrated mechanically active rotaxanes controls the contraction/extension of the polymer chains as well as their physical reticulation. Small-angle neutron and X-ray scattering were used to study in-depth the nanostructure of the contracted and extended polymer aggregates in toluene solution. The supramolecular polymers comprising contracted nanomachines were found to be equilibrium polymers with a mass that is concentration dependent in dilute and semidilute regimes. Surprisingly, the extended polymers form a gel network with a crystal-like internal structure that is independent of concentration and reminiscent of a pearl-necklace network.

  12. Steam-assisted crystallization of TPA+-exchanged MCM-41 type mesoporous materials with thick pore walls

    International Nuclear Information System (INIS)

    Chen, Hong Li; Zhang, Kun; Wang, Yi Meng

    2012-01-01

    Highlights: ► Mesoporous Ti-containing silica with thicker pore walls was synthesized. ► Ion-exchange and steam-assisted crystallization led to MCM-41/MFI composite. ► The introduction of Ti inhibited the formation of separated MFI particles. ► Lower temperature favored retaining mesoporous characteristics and morphology. -- Abstract: Hierarchical MCM-41/MFI composites were synthesized through ion-exchange of as-made MCM-41 type mesoporous materials with tetrapropylammonium bromide and subsequent steam-assisted recrystallization. The obtained samples were characterized by powder X-ray diffraction (XRD), UV–vis diffuse reflectance spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis, FT-IR, 1 H– 13 C CP/MAS and nitrogen adsorption–desorption. The XRD patterns show that the MCM-41/MFI composite possesses both ordered MCM-41 phase and zeolite MFI phase. SEM and TEM images indicate that the recrystallized materials retained the mesoporous characteristics and the morphology of as-made mesoporous materials without the formation of bulky zeolite, quite different from the mechanical mixture of MCM-41 and MFI structured zeolite. Among others, lower recrystallization temperature and the introduction of the titanium to the parent materials are beneficial to preserve the mesoporous structure during the recrystallization process.

  13. Fundamentals and applications of neutron diffraction. Applications 7. Crystal structure analysis of fuel cell materials by means of neutron diffractometry

    International Nuclear Information System (INIS)

    Itoh, Takanori

    2010-01-01

    Perovskite oxides, which have 'A' atoms of an alkaline earth metal and/or a rare earth metal and 'B' atoms of a transition metal, have considerable potential for use in electrochemical devices such as cathodes of solid oxide fuel cells (SOFC), oxygen pumps, oxygen sensors, catalysts, and other devices such as oxygen separation membranes. The oxygen ion behavior is studied with relation performance of electrochemical devices. I have analyzed the crystal structure of SOFC materials by neutron diffraction. Using the Rietveld refinement technique, I showed that the O1(4c) and O2(8d) sites in a perovskite oxide of SOFC cathode material has different oxygen site occupancies. Furthermore, oxygen diffusion behavior is associated with temperature dependence of oxygen anisotropic atomic displacement parameters. The maximum entropy method (MEM) analysis of neutron diffraction measurements revealed nuclear scattering length distribution at high temperature by three-dimensional images in detail, therefore 1 found oxygen diffusion pass and new proton site in SOFC materials. From these results, neutron diffraction is confirmed to be very useful tool for the study of light element behavior in fuel cell materials. (author)

  14. An Assessment of New Applications for Single-Crystal Piezoelectric Materials

    National Research Council Canada - National Science Library

    Veitch, Lisa

    1998-01-01

    .... The purpose of this study was to determine the current commercial and military uses of the piezoelectric materials, the properties that are important to these uses, and the impact of substituting...

  15. Integration of Magneto-Optical Materials for Novel Optical Devices & Magnetophotonic Crystals, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — This work proposes to capitalize on our Phase I success in monolithically integrating magneto-optic and magnetic materials with semiconductor platforms in order to...

  16. Plasmon-Enhanced Photonic Crystal Negative Index Materials for Superlensing Applications, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Negative index materials (NIMs) offer tremendous potential for the formation of highly compact as well as large-area deployable thin-film optical components. Omega...

  17. Paracyclophane functionalized with Sc and Li for hydrogen storage

    Science.gov (United States)

    Sathe, Rohit Y.; Dhilip Kumar, T. J.

    2018-01-01

    Li and Sc metals functionalized on the delocalized π -electrons of benzene rings in [2,2]paracyclophane structure are studied for hydrogen storage efficiency by using the M06 DFT functional with 6-311G(d,p) basis set. It is found that Sc and Li functionalized [2,2]paracyclophane complexes can hold up to 10 H2 molecules and 8 H2 molecules by Kubas-Niu-Jena interaction and charge polarization mechanism with hydrogen weight percentage of 11.4 and 13.5, respectively. Molecular dynamics simulation at various temperatures showed appreciable thermal stability while the chemical potential calculation at room temperature reveals that Sc functionalized [2,2]paracyclophane system will be a promising hydrogen storage material.

  18. Piezoelectric coefficients and spontaneous polarization of ScAlN

    International Nuclear Information System (INIS)

    Caro, Miguel A; Laurila, Tomi; Zhang, Siyuan; Moram, Michelle A; Riekkinen, Tommi; Ylilammi, Markku; Molarius, Jyrki; Lopez-Acevedo, Olga

    2015-01-01

    We present a computational study of spontaneous polarization and piezoelectricity in Sc x Al 1−x N alloys in the compositional range from x = 0 to x = 0.5, obtained in the context of density functional theory and the Berry-phase theory of electric polarization using large periodic supercells. We report composition-dependent values of piezoelectric coefficients e ij , piezoelectric moduli d ij and elastic constants C ij . The theoretical findings are complemented with experimental measurement of e 33 for a series of sputtered ScAlN films carried out with a piezoelectric resonator. The rapid increase with Sc content of the piezoelectric response reported in previous studies is confirmed for the available data. A detailed description of the full methodology required to calculate the piezoelectric properties of ScAlN, with application to other complex alloys, is presented. In particular, we find that the large amount of internal strain present in ScAlN and its intricate relation with electric polarization make configurational sampling and the use of large supercells at different compositions necessary in order to accurately derive the piezoelectric response of the material. (paper)

  19. Material properties of large-volume cadmium zinc telluride crystals and their relationship to nuclear detector performance

    Energy Technology Data Exchange (ETDEWEB)

    James, R.B.; Lund, J. [Sandia National Labs., Livermore, CA (United States); Yoon, H. [Sandia National Labs., Livermore, CA (United States)]|[Univ. of California, Los Angeles, CA (United States)] [and others

    1997-09-01

    The material showing the greatest promise today for production of large-volume gamma-ray spectrometers operable at room temperature is cadmium zinc telluride (CZT). Unfortunately, because of deficiencies in the quality of the present material, high-resolution CZT spectrometers have thus far been limited to relatively small dimensions, which makes them inefficient at detecting high photon energies and ineffective for weak radiation signals except in near proximity. To exploit CZT fully, it will be necessary to make substantial improvements in the material quality. Improving the material involves advances in the purity, crystallinity, and control of the electrical compensation mechanism. Sandia National Laboratories, California, in close collaboration with US industry and academia, has initiated efforts to develop a detailed understanding of the underlying material problems limiting the performance of large volume gamma-ray spectrometers and to overcome them through appropriate corrections therein. A variety of analytical and numerical techniques are employed to quantify impurities, compositional and stoichiometric variations, crystallinity, strain, bulk and surface defect states, carrier mobilities and lifetimes, electric field distributions, and contact chemistry. Data from these measurements are correlated with spatial maps of the gamma-ray and alpha particle spectroscopic response to determine improvements in the material purification, crystal growth, detector fabrication, and surface passivation procedures. The results of several analytical techniques will be discussed. The intended accomplishment of this work is to develop a low-cost, high-efficiency CZT spectrometer with an active volume of 5 cm{sup 3} and energy resolution of 1--2% (at 662 keV), which would give the US a new field capability for screening radioactive substances.

  20. Material properties of large-volume cadmium zinc telluride crystals and their relationship to nuclear detector performance

    International Nuclear Information System (INIS)

    James, R.B.; Lund, J.; Yoon, H.

    1997-01-01

    The material showing the greatest promise today for production of large-volume gamma-ray spectrometers operable at room temperature is cadmium zinc telluride (CZT). Unfortunately, because of deficiencies in the quality of the present material, high-resolution CZT spectrometers have thus far been limited to relatively small dimensions, which makes them inefficient at detecting high photon energies and ineffective for weak radiation signals except in near proximity. To exploit CZT fully, it will be necessary to make substantial improvements in the material quality. Improving the material involves advances in the purity, crystallinity, and control of the electrical compensation mechanism. Sandia National Laboratories, California, in close collaboration with US industry and academia, has initiated efforts to develop a detailed understanding of the underlying material problems limiting the performance of large volume gamma-ray spectrometers and to overcome them through appropriate corrections therein. A variety of analytical and numerical techniques are employed to quantify impurities, compositional and stoichiometric variations, crystallinity, strain, bulk and surface defect states, carrier mobilities and lifetimes, electric field distributions, and contact chemistry. Data from these measurements are correlated with spatial maps of the gamma-ray and alpha particle spectroscopic response to determine improvements in the material purification, crystal growth, detector fabrication, and surface passivation procedures. The results of several analytical techniques will be discussed. The intended accomplishment of this work is to develop a low-cost, high-efficiency CZT spectrometer with an active volume of 5 cm 3 and energy resolution of 1--2% (at 662 keV), which would give the US a new field capability for screening radioactive substances

  1. Vanadium doped Sb2Te3 material with modified crystallization mechanism for phase-change memory application

    International Nuclear Information System (INIS)

    Ji, Xinglong; Zheng, Yonghui; Zhou, Wangyang; Wu, Liangcai; Cao, Liangliang; Zhu, Min; Rao, Feng; Song, Zhitang; Feng, Songlin

    2015-01-01

    In this paper, V 0.21 Sb 2 Te 3 (VST) has been proposed for phase-change memory applications. With vanadium incorporating, VST has better thermal stability than Sb 2 Te 3 and can maintain in amorphous phase at room temperature. Two resistance steps were observed in temperature dependent resistance measurements. By real-time observing the temperature dependent lattice structure evolution, VST presents as a homogenous phase throughout the whole thermal process. Combining Hall measurement and transmission electron microscopy results, we can ascribe the two resistance steps to the unique crystallization mechanism of VST material. Then, the amorphous thermal stability enhancement can also be rooted in the suppression of the fast growth crystallization mechanism. Furthermore, the applicability of VST is demonstrated by resistance-voltage measurement, and the phase transition of VST can be triggered by a 15 ns electric pulse. In addition, endurance up to 2.7×10 4 cycles makes VST a promising candidate for phase-change memory applications

  2. Roberts-SC phocomelia syndrome.

    Science.gov (United States)

    Maheshwari, A; Kumar, P; Dutta, S; Narang, A

    2001-06-01

    A severely growth retarded baby was born at 38 weeks gestation. He had multiple craniofacial anomalies, microbrachycephaly, phocomelia in the upper limbs and renal cysts visible on ultrasound. He died of recurrent apneas. The autopsy showed left sided multicystic dysplastic kidney and absence of one testis. Cytogenetic studies did not reveal any abnormality. The phenotypic features match those described in the Roberts-SC phocomelia syndrome. A literature review revealed that 50% of these patients have chromosomal defects and antenatal detection is possible on ultrasound and by chromosome analysis of the amniocytes.

  3. Strain-based control of crystal anisotropy for perovskite oxides on semiconductor-based material

    Science.gov (United States)

    McKee, Rodney Allen; Walker, Frederick Joseph

    2000-01-01

    A crystalline structure and a semiconductor device includes a substrate of a semiconductor-based material and a thin film of an anisotropic crystalline material epitaxially arranged upon the surface of the substrate so that the thin film couples to the underlying substrate and so that the geometries of substantially all of the unit cells of the thin film are arranged in a predisposed orientation relative to the substrate surface. The predisposition of the geometries of the unit cells of the thin film is responsible for a predisposed orientation of a directional-dependent quality, such as the dipole moment, of the unit cells. The predisposed orientation of the unit cell geometries are influenced by either a stressed or strained condition of the lattice at the interface between the thin film material and the substrate surface.

  4. 2D and 3D photonic crystal materials for photocatalysis and electrochemical energy storage and conversion

    Science.gov (United States)

    Collins, Gillian; Armstrong, Eileen; McNulty, David; O’Hanlon, Sally; Geaney, Hugh; O’Dwyer, Colm

    2016-01-01

    Abstract This perspective reviews recent advances in inverse opal structures, how they have been developed, studied and applied as catalysts, catalyst support materials, as electrode materials for batteries, water splitting applications, solar-to-fuel conversion and electrochromics, and finally as photonic photocatalysts and photoelectrocatalysts. Throughout, we detail some of the salient optical characteristics that underpin recent results and form the basis for light-matter interactions that span electrochemical energy conversion systems as well as photocatalytic systems. Strategies for using 2D as well as 3D structures, ordered macroporous materials such as inverse opals are summarized and recent work on plasmonic–photonic coupling in metal nanoparticle-infiltrated wide band gap inverse opals for enhanced photoelectrochemistry are provided. PMID:27877904

  5. Hierarchical zeolites: Enhanced utilisation of microporous crystals in catalysis by advances in materials design

    DEFF Research Database (Denmark)

    Perez-Ramirez, Javier; Christensen, Claus H.; Egeblad, Kresten

    2008-01-01

    The introduction of synthetic zeolites has led to a paradigm shift in catalysis, separations, and adsorption processes, due to their unique properties such as crystallinity, high-surface area, acidity, ion-exchange capacity, and shape-selective character. However, the sole presence of micropores...... the properties of the resulting materials and the catalytic function. We particularly dwell on the exciting field of hierarchical zeolites, which couple in a single material the catalytic power of micropores and the facilitated access and improved transport consequence of a complementary mesopore network...

  6. Thermo-elastic Green's functions for an infinite bi-material of one-dimensional hexagonal quasi-crystals

    International Nuclear Information System (INIS)

    Li, P.D.; Li, X.Y.; Zheng, R.F.

    2013-01-01

    This Letter is concerned with thermo-elastic fundamental solutions of an infinite space, which is composed of two half-infinite bodies of different one-dimensional hexagonal quasi-crystals. A point thermal source is embedded in a half-space. The interface can be either perfectly bonded or smoothly contacted. On the basis of the newly developed general solution, the temperature-induced elastic field in full space is explicitly presented in terms of elementary functions. The interactions among the temperature, phonon and phason fields are revealed. The present work can play an important role in constructing farther analytical solutions for crack, inclusion and dislocation problems. -- Highlights: ► Green's functions are constructed in terms of 10 quasi-harmonic functions. ► Thermo-elastic field of a 1D hexagonal QC bi-material body is expressed explicitly. ► Both perfectly bonded and smoothly contacted interfaces are considered

  7. Eco-friendly p-type Cu2SnS3 thermoelectric material: crystal structure and transport properties

    Science.gov (United States)

    Shen, Yawei; Li, Chao; Huang, Rong; Tian, Ruoming; Ye, Yang; Pan, Lin; Koumoto, Kunihito; Zhang, Ruizhi; Wan, Chunlei; Wang, Yifeng

    2016-01-01

    As a new eco-friendly thermoelectric material, copper tin sulfide (Cu2SnS3) ceramics were experimentally studied by Zn-doping. Excellent electrical transport properties were obtained by virtue of 3-dimensionally conductive network for holes, which are less affected by the coexistence of cubic and tetragonal phases that formed upon Zn subsitition for Sn; a highest power factors ~0.84 mW m−1 K−2 at 723 K was achieved in the 20% doped sample. Moreover, an ultralow lattice thermal conductivity close to theoretical minimum was observed in these samples, which could be related to the disordering of atoms in the coexisting cubic and tetragonal phases and the interfaces. Thanks to the phonon-glass-electron-crystal features, a maximum ZT ~ 0.58 was obtained at 723 K, which stands among the tops for sulfide thermoelectrics at the same temperature. PMID:27666524

  8. Statistical studies on the light output and energy resolution of small LSO single crystals with different surface treatments combined with various reflector materials

    CERN Document Server

    Heinrichs, U; Bussmann, N; Engels, R; Kemmerling, G; Weber, S; Ziemons, K

    2002-01-01

    The optimization of light output and energy resolution of scintillators is of special interest for the development of high resolution and high sensitivity PET. The aim of this work is to obtain statistically reliable results concerning optimal surface treatment of scintillation crystals and the selection of reflector material. For this purpose, raw, mechanically polished and etched LSO crystals (size 2x2x10 mm sup 3) were combined with various reflector materials (Teflon tape, Teflon matrix, BaSO sub 4) and exposed to a sup 2 sup 2 Na source. In order to ensure the statistical reliability of the results, groups of 10 LSO crystals each were measured for all combinations of surface treatment and reflector material. Using no reflector material the light output increased up to 551+-35% by mechanical polishing the surface compared to 100+-5% for raw crystals. Etching the surface increased the light output to 441+-29%. The untreated crystals had an energy resolution of 24.6+-4.0%. By mechanical polishing the surfac...

  9. Proton-conductive materials formed by coumarin photocrosslinked ionic liquid crystal dendrimers

    NARCIS (Netherlands)

    Concellon, A.; Liang, T.; Schenning, A.P.H.J.; Luis Serrano, J.; Romero, P.; Marcos, M.

    2018-01-01

    In this work, we have successfully examined for the first time the use of ionic dendrimers as building blocks for the preparation of 1D and 2D proton conductive materials. For this purpose, a new family of liquid crystalline dendrimers has been synthesized by ionic self-assembly of poly(amidoamine)

  10. Studies and implementation of glass-crystal materials as the ecological shells and coatings for storage and disposal of radioactive and toxic wastes

    International Nuclear Information System (INIS)

    Iskakov, T.; Ibraev, Yu.; Garifulin, V.

    1996-01-01

    The ground space and missile systems designed to launch the modern rockets have the launching constructions. These construction are equipped with protection systems for construction units, which are undergoing by high temperature gas dynamic impact. Protective materials are featuring with a high strength, and stability regarding to high temperatures and heat impact. Such materials were obtained in glass-crystal class. Institute for Special Material Science Research has synthesized the glass-crystal materials with high thermal stability, strength, which are also stable regarding to chemical, biological, radioactive, gas dynamic, etc. impacts. The developed materials in form of plates were successfully tested in launching constructions at Baikonur space system. This material is valid for heat protective coatings, constructions of rocket-space system, plates used in airstrips and grounds for aircraft with vertical take-off and landing. These materials were studied to obtain the super strength, wearing-proof, chemically stable and radiation stable materials to be designed for ecological shells on their base. It was established that some types of glass-crystal materials have the properties, which are valid for application as ecological shells

  11. Quasi-optic millimeter-wave device application of liquid crystal material by using porous PMMA matrix

    Science.gov (United States)

    Nose, T.; Watanabe, Y.; Kon, A.; Ito, R.; Honma, M.

    2018-02-01

    Recently, millimeter-waves (MMWs) have become indispensable for application in next-generation high-speed wireless communication i.e., 5G, in addition to conventional applications such as in automobile collision avoidance radars and airport security inspection systems. Some manageable devices to control MMW propagation will be necessary with the development of this new technology field. We believe that liquid crystal (LC) devices are one of the major candidates for such applications because it is known that LC materials are excellent electro-optic materials. However, as the wavelength of MMWs is extremely longer than the optics region, extremely thick LC layers are necessary if we choose the quasioptic approach to attain LC MMW control devices. Therefore, we adopt a PDLC structure to attain the extremely thick LC layers by using porous (polymethyl methacrylate) PMMA materials, which can be easily obtained using a solvent consisting of a mixture of ethanol/water and a little heating. In this work, we focus on Fresnel lens, which is an important quasi-optic device for MMW application, to introduce a tunable property by using LC materials. Here, we adopt the thin film deposition method to obtain a porous PMMA matrix with the aim of obtaining final composite structure based on the Fresnel substrate. First, the fundamental material properties of porous PMMA are investigated to control the microscopic porous structure. Then, the LC-MMW Fresnel lens substrate is prepared using a 3D printer, and the fundamental MMW focusing properties of the prototype composite Fresnel structure are investigated.

  12. Relating mechanical properties and chemical bonding in an inorganic-organic framework material: a single-crystal nanoindentation study.

    Science.gov (United States)

    Tan, Jin Chong; Furman, Joshua D; Cheetham, Anthony K

    2009-10-14

    We report the application of nanoindentation and atomic force microscopy to establish the fundamental relationships between mechanical properties and chemical bonding in a dense inorganic-organic framework material: Ce(C(2)O(4))(HCO(2)), 1. Compound 1 is a mixed-ligand 3-D hybrid which crystallizes in an orthorhombic space group, in which its three basic building blocks, i.e. the inorganic metal-oxygen-metal (M-O-M) chains and the two organic bridging ligands, (oxalate and formate) are all oriented perpendicular to one another. This unique architecture enabled us to decouple the elastic and plastic mechanical responses along the three primary axes of a single crystal to understand the contribution associated with stiff vs compliant basic building blocks. The (001)-oriented facet that features rigid oxalate ligands down the c-axis exhibits the highest stiffness and hardness (E approximately 78 GPa and H approximately 4.6 GPa). In contrast, the (010)-oriented facet was found to be the most compliant and soft (E approximately 43 GPa and H approximately 3.9 GPa), since the formate ligand, which is the more compliant building block within this framework, constitutes the primary linkages down the b-axis. Notably, intermediate stiffness and hardness (E approximately 52 GPa and H approximately 4.1 GPa) were measured on the (100)-oriented planes. This can be attributed to the Ce-O-Ce chains that zigzag down the a-axis (Ce...Ce metal centers form an angle of approximately 132 degrees) and also the fact that the 9-coordinated CeO(9) polyhedra are expected to be geometrically more compliant. Our results present the first conclusive evidence that the crystal orientation dominated by inorganic chains is not necessarily more robust from the mechanical properties standpoint. Rigid organic bridging ligands (such as oxalate), on the other hand, can be used to produce greater stiffness and hardness properties in a chosen crystallographic orientation. This study demonstrates that

  13. Synthesis, crystal growth and characterization of bioactive material: 2- Amino-1H-benzimidazolium pyridine-3-carboxylate single crystal- a proton transfer molecular complex

    Science.gov (United States)

    Fathima, K. Saiadali; Kavitha, P.; Anitha, K.

    2017-09-01

    The 1:1 molecular adducts 2- Amino-1H-benzimidazolium pyridine-3-carboxylate (2ABPC) was synthesized and grown as single crystal where 2-aminobenzimidazole (ABI) acts as a donor and nicotinic acid (NA) acts as an acceptor. The presence of proton and carbon were predicted using 1H and 13C NMR spectral analysis. The molecular structure of the crystal was elucidated by subjecting the grown crystals to the single crystal x-ray diffraction analysis and was refined by full matrix least-squares method to R = 0.038 for 2469 reflections. The vibrational modes of functional group have been studied using FTIR and Raman spectroscopic analysis. The UV-Vis spectrum exhibited a visible band at 246 nm for 2ABPC due to the nicotinate anion of the molecule. Further, the antimicrobial activity of 2ABPC complex against B. subtilis, klebsiella pneumonia, Pseudomonas eruginos and E. coli pathogens was investigated. Minimum Inhibitory Concentration (MIC) for this crystal was obtained using UV spectrometer against MRSA pathogen. It was found that the benzimidazole with aminogroup at position 2 increases the general antimicrobial activities of 2ABPC crystal.

  14. Facile detection of toxic ingredients in seafood using biologically enabled photonic crystal materials

    Science.gov (United States)

    Kong, Xianming; Squire, Kenneth; Wang, Alan X.

    2018-02-01

    Surface-enhanced Raman scattering (SERS) spectroscopy has attracted considerable attention recently as a powerful detection platform in biosensing because of the wealth of inherent information ascertained about the chemical and molecular composition of a sample. However, real-world samples are often composed of many components, which renders the detection of constitutes of mixed samples very challenging for SERS sensing. Accordingly, separation techniques are needed before SERS measurements. Thin layer chromatography (TLC) is a simple, fast and costeffective technique for analyte separation and can a play pivotal role for on-site sensing. However, combining TLC with SERS is only successful to detect a limited number of analytes that have large Raman scattering cross sections. As a kind of biogenic amine, histamine (2-(4-imidazolyl)-ethylamine) has a relationship with many health problems resulting from seafood consumption occurring worldwide. Diatomaceous earth consists of fossilized remains of diatoms, a type of hard-shelled algae. As a kind of natural photonic biosilica from geological deposits, it has a variety of unique properties including highly porous structure, excellent adsorption capacity, and low cost. In addition, the two dimensional periodic pores on diatomite earth with hierarchical nanoscale photonic crystal features can enhance the localized optical field. Herein, we fabricate TLC plates from diatomite as the stationary phase combining with SERS to separate and detect histamine from seafood samples. We have proved that the diatomite on the TLC plate not only functions as stationary phase, but also provides additional Raman enhancement, in which the detection limit of 2 ppm was achieved for pyrene in mixture.

  15. Irradiation effects induced by multiply charged heavy ions on astrophysical materials such as crystals and ices

    International Nuclear Information System (INIS)

    Langlinay, Thomas

    2014-01-01

    The solar system and the interstellar medium are permanently exposed to radiations such as solar wind and cosmic rays. The interaction between energetic particles and astrophysical materials (ices, silicates and carbon-based materials) plays an important role in several astrophysical phenomena. Laboratory experiments correlated to observational data may allow a better understanding of these phenomena. The aim of this thesis was to study the effect of slow and fast heavy ions on lithium fluoride and on astrophysical materials such as ices and silicates. We focused on the sputtering phenomenon. The present study was performed with a time of flight imaging technique (XY-TOF-SIMS) at the CIMAP-GANIL laboratory. The major fraction of secondary ions is found to be emitted in the form of clusters. Several parameters affect sputtering: the stopping power regime, the thickness of the target, the incident angle and, for low highly charged ions, the projectile charge. Our laboratory simulations exhibit the possibility that sputtered particles contribute to the formation of Mercury's and Jupiter's moons exosphere. (author)

  16. Crystal growth of various ruthenates

    Energy Technology Data Exchange (ETDEWEB)

    Kunkemoeller, Stefan; Braden, Markus [II. Physikalisches Institut, Universitaet zu Koeln (Germany); Nugroho, Agung [Institut Teknologi Bandung (Indonesia)

    2013-07-01

    Ruthenates of the Ruddlesdon-Popper series exhibit a variety of interesting phenomena ranging from unconventional superconductivity to orbitally polarized Mott insulators. Unfortunately the crystal growth of most of these ruthenates is extremely difficult partially due to the high evaporation of ruthenium; this strongly limits the research on these fascinating materials. We have started to grow single crystals of layered and perovskite ruthenates by the travelling floating-zone method using a Canon SC1-MDH mirror furnace. For the layered Ca{sub 2-x}Sr{sub x}RuO{sub 4} series we focused first on the range of concentration where recent My-SR experiments reveal spin-density wave ordering to occur at relatively high temperature and with a sizeable ordered moment. Good quality crystals of Ca{sub 1.5}Sr{sub 0.5}RuO{sub 4} can be obtained, when an excess of 15 percent of ruthenium is added to the initial preparation of the rod and when a high growth speed up to 40mm/h is used. Even slight modifications of the growing conditions result in large amounts of (Sr/Ca)RuO{sub 3} and (Sr/Ca){sub 3}Ru{sub 2}O{sub 7} intergrowth phases. First attempts to grow perovskite and double-layered ruthenates are discussed as well.

  17. Effect of grain defects on the mechanical behavior of nickel-based single crystal superalloy

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Haibin; Guo, Haiding [Nanjing Univ. of Aeronautics and Astronautics (China). Jiangsu Province Key Lab. of Aerospace Power System

    2017-03-15

    In this paper, a single crystal (SC) partition model, consisting of primary grains and grain defects, is proposed to simulate the weakening effect of grain defects generated at geometric discontinuities of SC materials. The plastic deformation of SC superalloy is described with the modified yield criterion, associated flow rule and hardening law. Then a bicrystal model containing only one group of misoriented grains under uniaxial loading is constructed and analyzed in the commercial finite element software ABAQUS. The simulation results indicate that the yield strength and elastic modulus of misoriented grains, which are determined by the crystallographic orientation, have a significant effect on the stress distribution of the bicrystal model. A critical stress, which is calculated by the stress state at critical regions, is proposed to evaluate the local stress rise at the sub-boundary of primary and misoriented grains.

  18. Effect of grain defects on the mechanical behavior of nickel-based single crystal superalloy

    International Nuclear Information System (INIS)

    Tang, Haibin; Guo, Haiding

    2017-01-01

    In this paper, a single crystal (SC) partition model, consisting of primary grains and grain defects, is proposed to simulate the weakening effect of grain defects generated at geometric discontinuities of SC materials. The plastic deformation of SC superalloy is described with the modified yield criterion, associated flow rule and hardening law. Then a bicrystal model containing only one group of misoriented grains under uniaxial loading is constructed and analyzed in the commercial finite element software ABAQUS. The simulation results indicate that the yield strength and elastic modulus of misoriented grains, which are determined by the crystallographic orientation, have a significant effect on the stress distribution of the bicrystal model. A critical stress, which is calculated by the stress state at critical regions, is proposed to evaluate the local stress rise at the sub-boundary of primary and misoriented grains.

  19. The colours of Hubble Sc galaxy nuclei

    International Nuclear Information System (INIS)

    Iskudaryan, S.G.

    1975-01-01

    The colorimetric data on the nuclei of the Sc galaxies are given. Comparison of the following parameters: color of a nucleus, integral color of a galaxy, Byurakan class, and spectral type of normal spirals gives the possibility to conclude: (1) The colors of the nuclei of the Sc galaxies have a high dispersion in its values. In all Byurakan classes the galaxies with intensely red and blue nuclei occur; (2) Some Sc galaxies exhibit a discrepancy between the spectral and morphological types. The results of colorimetry of nuclei indicate that almost all such Sc galaxies have intensely red nuclei which, naturally, provide for these late spectral types. It can be assumed that the intensely red color of the nuclei of such Sc galaxies is a result of a new type of activity of these nuclei; and (3) some Sc galaxies show the characteristics of the Markarian objects

  20. Bulk Crystal Growth, and High-Resolution X-ray Diffraction Results of LiZnAs Semiconductor Material

    Science.gov (United States)

    Montag, Benjamin W.; Reichenberger, Michael A.; Sunder, Madhana; Ugorowski, Philip B.; Nelson, Kyle A.; Henson, Luke C.; McGregor, Douglas S.

    2017-08-01

    LiZnAs is being explored as a candidate for solid-state neutron detectors. The compact form, solid-state device would have greater efficiency than present day gas-filled 3He and 10BF3 detectors. Devices fabricated from LiZnAs having either natural Li (nominally 7.5% 6Li) or enriched 6Li (usually 95% 6Li) as constituent atoms may provide a material for compact high efficiency neutron detectors. The 6Li( n, t)4He reaction yields a total Q-value of 4.78 MeV, an energy larger than that of the 10B reaction, which can easily be identified above background radiations. LiZnAs material was synthesized by preparing equimolar portions of Li, Zn, and As sealed under vacuum (10-6 Torr) in quartz ampoules lined with boron nitride and subsequently reacted in a compounding furnace (Montag et al. in J Cryst Growth 412:103, 2015). The raw synthesized LiZnAs was purified by a static vacuum sublimation in quartz (Montag et al. in J Cryst Growth 438:99, 2016). Bulk crystalline LiZnAs ingots were grown from the purified material with a high-temperature Bridgman-style growth process described here. One of the largest LiZnAs ingots harvested was 9.6 mm in diameter and 4.2 mm in length. Samples were harvested from the ingot and were characterized for crystallinity using a Bruker AXS Inc. D8 AXS Inc. D2 CRYSO, energy dispersive x-ray diffractometer, and a Bruker AXS Inc. D8 DISCOVER, high-resolution x-ray diffractometer equipped with molybdenum radiation, Gobel mirror, four bounce germanium monochromator and a scintillation detector. The primary beam divergence was determined to be 0.004°, using a single crystal Si standard. The x-ray based characterization revealed that the samples nucleated in the (110) direction and a high-resolution open detector rocking curve recorded on the (220) LiZnAs yielded a full width at half maximum (FWHM) of 0.235°. Sectional pole figures using off-axis reflections of the (211) LiZnAs confirmed in-plane ordering, and also indicated the presence of multiple

  1. Determination of trace elements in electronic materials by NAA

    International Nuclear Information System (INIS)

    Kobayashi, Kenji

    1986-01-01

    Trace amounts of elements in electronic materials were determined by instrumental neutron activation analysis (INAA), re-activation analysis and substoichiometric radioactivation analysis using gamma-ray spectrometry. Ten elements (Cr, Cu, Fe, Zn, Co, Eu, Ir, Sb, Sc, Tb) in gallium arsenide single crystal were determined by INAA and substoichiometric radioactivation analysis. Trace level of chromium (10 13 atoms/cm 3 ) and zinc (10 14 atoms/cm 3 ) in gallium arsenide single crystal were determined by INAA. The chromium concentrations in horizontal Bridgmangrown semi-insulating gallium arsenide ingot were ranged from 1.2 x 10 16 atoms/cm 3 at seed end to 3.5 x 10 16 atoms/cm 3 at tail end. The trace determinations of iron (10 14 atoms/cm 3 ) and copper (10 14 atoms/cm 3 ) in silicon, gallium arsenide and indium phoshide single crystals were carried out by substoichiometric radioactivation analysis. The reactivation analysis for the multielement determination of indium phosphide single crystal was carried out and nineteen elements were determined simultaneously by gamma-ray spectrometry. Eleven elements (Ag, As, Br, Co, Cr, Fe, K, Mn, Sb, Sc, Zn) in four NIES standard reference materials (Pond Sediment, Chlorella, Mussel and Tea Leaves) and seven elements (Co, Cr, Eu, Fe, Sc, Tb, Yb) in two NBS glasses (SRM-615 and SRM-613) were determined by INAA and substoichiometric radioactivation analysis and the analytical results obtained by the methods were in good agreement with certified values by NIES and NBS. (author)

  2. Light propagation in two-dimensional photonic crystals based on uniaxial polar materials: results on polaritonic spectrum

    Science.gov (United States)

    Gómez-Urrea, H. A.; Duque, C. A.; Pérez-Quintana, I. V.; Mora-Ramos, M. E.

    2017-03-01

    The dispersion relations of two-dimensional photonic crystals made of uniaxial polaritonic cylinders arranged in triangular lattice are calculated. The particular case of the transverse magnetic polarization is taken into account. Three different uniaxial materials showing transverse phonon-polariton excitations are considered: aluminum nitride, gallium nitride, and indium nitride. The study is carried out by means of the finite-difference time-domain technique for the solution of Maxwell equations, together with the method of the auxiliary differential equation. It is shown that changing the filling fraction can result in the modification of both the photonic and polaritonic bandgaps in the optical dispersion relations. Wider gaps appear for smaller filling fraction values, whereas a larger number of photonic bandgaps will occur within the frequency range considered when a larger filling fraction is used. The effect of including the distinct wurtzite III-V nitride semiconductors as core materials in the cylinders embedded in the air on the photonic properties is discussed as well, highlighting the effect of the dielectric anisotropy on the properties of the polaritonic part of the photonic spectrum.

  3. Single-crystal-material-based induced-shear actuation for vibration reduction of helicopters with composite rotor system

    International Nuclear Information System (INIS)

    Pawar, Prashant M; Jung, Sung Nam

    2008-01-01

    In this study, an assessment is made for the helicopter vibration reduction of composite rotor blades using an active twist control concept. Special focus is given to the feasibility of implementing the benefits of the shear actuation mechanism along with elastic couplings of composite blades for achieving maximum vibration reduction. The governing equations of motion for composite rotor blades with surface bonded piezoceramic actuators are obtained using Hamilton's principle. The equations are then solved for dynamic response using finite element discretization in the spatial and time domains. A time domain unsteady aerodynamic theory with free wake model is used to obtain the airloads. A newly developed single-crystal piezoceramic material is introduced as an actuator material to exploit its superior shear actuation authority. Seven rotor blades with different elastic couplings representing stiffness properties similar to stiff-in-plane rotor blades are used to investigate the hub vibration characteristics. The rotor blades are modeled as a box beam with actuator layers bonded on the outer surface of the top and bottom of the box section. Numerical results show that a notable vibration reduction can be achieved for all the combinations of composite rotor blades. This investigation also brings out the effect of different elastic couplings on various vibration-reduction-related parameters which could be useful for the optimal design of composite helicopter blades

  4. Single-crystal-material-based induced-shear actuation for vibration reduction of helicopters with composite rotor system

    Science.gov (United States)

    Pawar, Prashant M.; Jung, Sung Nam

    2008-12-01

    In this study, an assessment is made for the helicopter vibration reduction of composite rotor blades using an active twist control concept. Special focus is given to the feasibility of implementing the benefits of the shear actuation mechanism along with elastic couplings of composite blades for achieving maximum vibration reduction. The governing equations of motion for composite rotor blades with surface bonded piezoceramic actuators are obtained using Hamilton's principle. The equations are then solved for dynamic response using finite element discretization in the spatial and time domains. A time domain unsteady aerodynamic theory with free wake model is used to obtain the airloads. A newly developed single-crystal piezoceramic material is introduced as an actuator material to exploit its superior shear actuation authority. Seven rotor blades with different elastic couplings representing stiffness properties similar to stiff-in-plane rotor blades are used to investigate the hub vibration characteristics. The rotor blades are modeled as a box beam with actuator layers bonded on the outer surface of the top and bottom of the box section. Numerical results show that a notable vibration reduction can be achieved for all the combinations of composite rotor blades. This investigation also brings out the effect of different elastic couplings on various vibration-reduction-related parameters which could be useful for the optimal design of composite helicopter blades.

  5. Technological process and optimum design of organic materials vacuum pyrolysis and indium chlorinated separation from waste liquid crystal display panels

    Energy Technology Data Exchange (ETDEWEB)

    Ma, En; Xu, Zhenming, E-mail: zmxu@sjtu.edu.cn

    2013-12-15

    Highlights: • The vacuum pyrolysis–vacuum chlorinated separation system was proposed to recover the waste LCD panel. • The system can recycle the whole waste LCD panels efficiently without negative effects to environment. • The 82.03% of the organic materials was reclaimed. All pyrolysis products can be utilized by a reasonable way. • The separation of indium was optimized by the central composite design (CCD) under response surface methodology (RSM). • The recovery ratio of indium was further increased to 99.97%. -- Abstract: In this study, a technology process including vacuum pyrolysis and vacuum chlorinated separation was proposed to convert waste liquid crystal display (LCD) panels into useful resources using self-design apparatuses. The suitable pyrolysis temperature and pressure are determined as 300 °C and 50 Pa at first. The organic parts of the panels were converted to oil (79.10 wt%) and gas (2.93 wt%). Then the technology of separating indium was optimized by central composite design (CCD) under response surface methodology (RSM). The results indicated the indium recovery ratio was 99.97% when the particle size is less than 0.16 mm, the weight percentage of NH{sub 4}Cl to glass powder is 50 wt% and temperature is 450 °C. The research results show that the organic materials, indium and glass of LCD panel can be recovered during the recovery process efficiently and eco-friendly.

  6. Preparation of shape-stabilized co-crystallized poly (ethylene glycol) composites as thermal energy storage materials

    International Nuclear Information System (INIS)

    Qian, Yong; Wei, Ping; Jiang, Pingkai; Li, Zhi; Yan, Yonggang; Ji, Kejian; Deng, Weihua

    2013-01-01

    Highlights: • Shape-stabilized PEG composites were prepared by sol–gel process. • The increased energy storage ability of composite was from cocrystallization effect. • Diammonium phosphate improved flame retardancy properties of PEG composite. • PEG composites had potential to be used as thermal energy storage materials. - Abstract: Shape-stabilized co-crystallized poly (ethylene glycol) (PEG) composites were prepared by sol–gel process. Tetraethoxysilane was utilized as supporting matrix precursor. The crystallization property as well as thermal energy storage properties of PEG was influenced by silica network. The combination of PEG 2k and PEG 10k with suitable ratio (3:1 by weight) led to synergistically increased fusion enthalpy attributed to cocrystallization effect. Furthermore, halogen-free flame retarded PEG composites were obtained using diammonium phosphate as flame retardant. With suitable composition, the latent heat value of flame retarded PEG composite was 96.7 kJ/kg accompanied with good thermal stability and improved flame retardancy properties. Fourier transform infrared spectrum (FT-IR), X-ray diffraction (XRD), polarized optical microscope (POM) and scanning electron microscope (SEM) were used to characterize the structure of PEG composites. Thermal stability properties of PEG composites were investigated by thermogravimetric analyzer (TGA). Char residue obtained from muffle furnace of PEG composites was analyzed by SEM and FT-IR. Flame retardancy properties of PEG composites were estimated by pyrolysis combustion flow calorimeter. Results showed that it was potential for shape-stabilized halogen-free flame retarded PEG composite to be applied in thermal energy storage field

  7. Insights into the crystal-packing effects on the spin crossover of [Fe(II)(1-bpp)](2+)-based materials.

    Science.gov (United States)

    Vela, Sergi; Novoa, Juan J; Ribas-Arino, Jordi

    2014-12-28

    Iron(II) complexes of the [Fe(II)(1-bpp2)](2+) type (1-bpp = 2,6-di(pyrazol-1-yl)pyridine) have been intensively investigated in the context of crystal engineering of switchable materials because their spin-crossover (SCO) properties dramatically depend on the counterions. Here, by means of DFT + U calculations at the molecular and solid state levels we provide a rationale for the different SCO behaviour of the BF4(-) and ClO4(-) salts of the parent complex; the former features Fe(II) complexes with a regular coordination geometry and undergoes a spin transition, whereas the Fe(II) complexes of the latter adopt a distorted structure and remain in the high-spin state at all temperatures. The different SCO behaviour of both salts can be explained on the basis of a combination of thermodynamic and kinetic effects. The shape of the SCO units at high temperature is thermodynamically controlled by the intermolecular interactions between the SCO units and counterions within the crystal. The spin trapping at low temperatures in the ClO4(-) salt, in turn, is traced back to a kinetic effect because our calculations have revealed the existence of a more stable polymorph having SCO units in their low-spin state that feature a regular structure. From the computational point of view, it is the first time that the U parameter is fine-tuned on the basis of CASPT2 calculations, thereby enabling an accurate description of the energetics of the spin transition at both molecular and solid-state levels.

  8. Electron-irradiation-induced crystallization of amorphous orthophosphates

    International Nuclear Information System (INIS)

    Meldrum, A.; Ewing, R.C.; Boatner, L.A.

    1996-12-01

    Amorphous LaPO 4 , EuPO 4 , GdPO 4 , ScPO 4 , and fluorapatite [Ca 5 (PO 4 ) 3 F] were irradiated by electron beam in a TEM. Irradiations were done at -150 to 300 C, 80 to 200 keV, and current densities from 0.3 to 16 A/cm 2 . In all cases, the materials crystallized to form a randomly oriented polycrystalline assemblage. Crystallization is driven dominantly by inelastic processes, although ballistic collisions with target nuclei can be important above 175 keV, particularly in apatite. Using a high current density, crystallization is so fast that continuous lines of crystallites can be ''drawn'' on the amorphous matrix

  9. Measurement of the elastic tensor of SmScO3 and NdScO3 using resonant ultrasound spectroscopy with ab initio calculations

    Directory of Open Access Journals (Sweden)

    K. A. Pestka II

    2011-09-01

    Full Text Available The complete elastic tensors of SmScO3 and NdScO3 were measured using resonant ultrasound spectroscopy (RUS in combination with ab-initio calculations. Measurement of the elastic tensor of these recently synthesized single crystal RE scandates is essential for understanding dynamic lattice applications including phonon confinement, strain induced thin film growth and superlattice construction. On average, the experimental elastic constants differed by less than 5% of the theoretical values, further validating the accuracy of modern ab-initio calculations as a means of estimating the initial elastic constants used in RUS measurements.

  10. History and practice of material research on the examples of Material Testing and Materialpruefungsanstalt (MPA) Stuttgart, liquid crystals and screen technology as well as superconductivity. An interdisciplinary teaching project of the University of Stuttgart

    International Nuclear Information System (INIS)

    Hentschel, Klaus; Webel, Josef

    2016-01-01

    The knowledge of material research and its history is not very common among scientists and engineers alike. Within the scope of an interdisciplinary teaching project carried out for the first time in the summer semester 2014 and ever since then every summer semester at the University of Stuttgart, an attempt is made to approach material research both from a scientific, technical and historical perspective. The Material Testing and Materials Testing Institute in Stuttgart (MPA), the liquid crystals and the screen technology as well as the superconductivity were selected as topics, which have a long tradition in research and teaching in Stuttgart. In this anthology the materials of the teaching project are summarized. [de

  11. 46 CFR 7.70 - Folly Island, SC to Hilton Head Island, SC.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 1 2010-10-01 2010-10-01 false Folly Island, SC to Hilton Head Island, SC. 7.70 Section... BOUNDARY LINES Atlantic Coast § 7.70 Folly Island, SC to Hilton Head Island, SC. (a) A line drawn from the...′ W. (Port Royal Sound Lighted Whistle Buoy “2PR”); thence to the easternmost extremity of Hilton Head...

  12. Skylab experiments. Volume 3: Materials science. [Skylab experiments on metallurgy, crystal growth, semiconductors, and combustion physics in weightless environment for high school level education

    Science.gov (United States)

    1973-01-01

    The materials science and technology investigation conducted on the Skylab vehicle are discussed. The thirteen experiments that support these investigations have been planned to evaluate the effect of a weightless environment on melting and resolidification of a variety of metals and semiconductor crystals, and on combustion of solid flammable materials. A glossary of terms which define the space activities and a bibliography of related data are presented.

  13. Synthesis, crystal growth and characterization of bioactive material: 2-amino-1H-benzo[d]imidazol-3-ium salicylate single crystal-a proton transfer molecular complex

    Science.gov (United States)

    Fathima, K. Saiadali; Anitha, K.

    2017-05-01

    The 1:1 molecular adducts 2-aminobenzimidazolium salicylate (ABIS) single crystal was synthesized and grown from 2-aminobenzimidazole (ABI) as a donor and salicylic acid (SA) as an acceptor. The cell parameter was determined using single crystal X-Ray diffraction method and the complex ABIS belongs to monoclinic system. The spectroscopic studies showed that ABIS crystal was an ion pair complex. The FTIR and Raman spectra showed that the presence of O-H, C=N, C=O vibration which confirms the proton transfer from SA to ABI. The UV-Vis spectrum exhibited a visible band at 359nm for ABIS due to the salicylate anion of the molecule. Further the antimicrobial activity of ABIS complex against Staphylococcus aureus, klebsiella pneumonia, Pseudomonas eruginos and E.coli pathogens was investigated. So the complex molecule inhibits both Gram positive and Gram negative bacterial. It is found that benzimidazole with aminogroup at position 2 increases the general antimicrobial activities of ABIS crystal.

  14. Crystals in crystals

    DEFF Research Database (Denmark)

    Christensen, Claus H.; Schmidt, I.; Carlsson, A.

    2005-01-01

    A major factor governing the performance of catalytically active particles supported on a zeolite carrier is the degree of dispersion. It is shown that the introduction of noncrystallographic mesopores into zeolite single crystals (silicalite-1, ZSM-5) may increase the degree of particle dispersion....... As representative examples, a metal (Pt), an alloy (PtSn), and a metal carbide (beta-Mo2C) were supported on conventional and mesoporous zeolite carriers, respectively, and the degree of particle dispersion was compared by TEM imaging. On conventional zeolites, the supported material aggregated on the outer surface...

  15. Crystal plasticity-based modeling for predicting anisotropic behaviour and formability of metallic materials

    International Nuclear Information System (INIS)

    Pham, Son; Jeong, Youngung; Creuziger, Adam; Iadicola, Mark; Foecke, Tim; Rollett, Anthony

    2016-01-01

    Metallic materials often exhibit anisotropic behaviour under complex load paths because of changes in microstructure, e.g., dislocations and crystallographic texture. In this study, we present the development of constitutive model based on dislocations, point defects and texture in order to predict anisotropic response under complex load paths. In detail, dislocation/solute atom interactions were considered to account for strain aging and static recovery. A hardening matrix based on the interaction of dislocations was built to represent the cross-hardening of different slip systems. Clear differentiation between forward and backward slip directions of dislocations was made to describe back stresses during path changes. In addition, we included dynamic recovery in order to better account for large plastic deformation. The model is validated against experimental data for AA5754-O with path changes, e.g., Figure 1 [1] Another effort is to include microstructure in forming predictions with a minimal increase in computational time. This effort enables comprehensive investigations of the influence of texture-induced anisotropy on formability [2]. Application of these improvements to predict forming limits of various BCC textures, such as γ, ρ, α, η and ϵ fibers and a random (R) texture. These simulations demonstrate that the crystallographic texture has significant (both positive and negative) effects on the forming limit diagrams (Figure 2). For example, the y fiber texture, that is often sought through thermo-mechanical processing due to high r-value, had the highest forming limit in the balanced biaxial strain path but the lowest forming limit under the plane strain path among textures under consideration. (paper)

  16. Radiation Protection Section (SC/SL/RP)

    CERN Document Server

    2006-01-01

    We should like to inform you that the Radiation Protection Section (SC/SL/RP) located on the Prévessin site has moved from Building 865 (ground floor) to new premises in Wing A of Building 892 (second floor). Telephone numbers remain the same. SC/SL/RP section

  17. Quasi 2D Mesoporous Carbon Microbelts Derived from Fullerene Crystals as an Electrode Material for Electrochemical Supercapacitors.

    Science.gov (United States)

    Tang, Qin; Bairi, Partha; Shrestha, Rekha Goswami; Hill, Jonathan P; Ariga, Katsuhiko; Zeng, Haibo; Ji, Qingmin; Shrestha, Lok Kumar

    2017-12-27

    Fullerene C 60 microbelts were fabricated using the liquid-liquid interfacial precipitation method and converted into quasi 2D mesoporous carbon microbelts by heat treatment at elevated temperatures of 900 and 2000 °C. The carbon microbelts obtained by heat treatment of fullerene C 60 microbelts at 900 °C showed excellent electrochemical supercapacitive performance, exhibiting high specific capacitances ca. 360 F g -1 (at 5 mV s -1 ) and 290 F g -1 (at 1 A g -1 ) because of the enhanced surface area and the robust mesoporous framework structure. Additionally, the heat-treated carbon microbelt showed good rate performance, retaining 49% of capacitance at a high scan rate of 10 A g -1 . The carbon belts exhibit super cyclic stability. Capacity loss was not observed even after 10 000 charge/discharge cycles. These results demonstrate that the quasi 2D mesoporous carbon microbelts derived from a π-electron-rich carbon source, fullerene C 60 crystals, could be used as a new candidate material for electrochemical supercapacitor applications.

  18. Nanoscale nuclei in phase change materials: Origin of different crystallization mechanisms of Ge2Sb2Te5 and AgInSbTe

    International Nuclear Information System (INIS)

    Lee, Bong-Sub; Bogle, Stephanie N.; Darmawikarta, Kristof; Abelson, John R.; Shelby, Robert M.; Retter, Charles T.; Burr, Geoffrey W.; Raoux, Simone; Bishop, Stephen G.

    2014-01-01

    Phase change memory devices are based on the rapid and reversible amorphous-to-crystalline transformations of phase change materials, such as Ge 2 Sb 2 Te 5 and AgInSbTe. Since the maximum switching speed of these devices is typically limited by crystallization speed, understanding the crystallization process is of crucial importance. While Ge 2 Sb 2 Te 5 and AgInSbTe show very different crystallization mechanisms from their melt-quenched states, the nanostructural origin of this difference has not been clearly demonstrated. Here, we show that an amorphous state includes different sizes and number of nanoscale nuclei, after thermal treatment such as melt-quenching or furnace annealing is performed. We employ fluctuation transmission electron microscopy to detect nanoscale nuclei embedded in amorphous materials, and use a pump-probe laser technique and atomic force microscopy to study the kinetics of nucleation and growth. We confirm that melt-quenched amorphous Ge 2 Sb 2 Te 5 includes considerably larger and more quenched-in nuclei than its as-deposited state, while melt-quenched AgInSbTe does not, and explain this contrast by the different ratio between quenching time and nucleation time in these materials. In addition to providing insights to the crystallization process in these technologically important devices, this study presents experimental illustrations of temperature-dependence of nucleation rate and growth speed, which was predicted by theory of phase transformation but rarely demonstrated

  19. Evanescent waves and deaf bands in sonic crystals

    Directory of Open Access Journals (Sweden)

    V. Romero-García

    2011-12-01

    Full Text Available The properties of sonic crystals (SC are theoretically investigated in this work by solving the inverse problem k(ω using the extended plane wave expansion (EPWE. The solution of the resulting eigenvalue problem gives the complex band structure which takes into account both the propagating and the evanescent modes. In this work we show the complete mathematical formulation of the EPWE for SC and the supercell approximation for its use in both a complete SC and a SC with defects. As an example we show a novel interpretation of the deaf bands in a complete SC in good agreement with multiple scattering simulations.

  20. Evanescent waves and deaf bands in sonic crystals

    Science.gov (United States)

    Romero-García, V.; Garcia-Raffi, L. M.; Sánchez-Pérez, J. V.

    2011-12-01

    The properties of sonic crystals (SC) are theoretically investigated in this work by solving the inverse problem k(ω) using the extended plane wave expansion (EPWE). The solution of the resulting eigenvalue problem gives the complex band structure which takes into account both the propagating and the evanescent modes. In this work we show the complete mathematical formulation of the EPWE for SC and the supercell approximation for its use in both a complete SC and a SC with defects. As an example we show a novel interpretation of the deaf bands in a complete SC in good agreement with multiple scattering simulations.

  1. Effects of temperature changes and stress loading on the mechanical and shape memory properties of thermoplastic materials with different glass transition behaviours and crystal structures.

    Science.gov (United States)

    Iijima, Masahiro; Kohda, Naohisa; Kawaguchi, Kyotaro; Muguruma, Takeshi; Ohta, Mitsuru; Naganishi, Atsuko; Murakami, Takashi; Mizoguchi, Itaru

    2015-12-01

    To investigate the effects of temperature changes and stress loading on the mechanical and shape memory properties of thermoplastic materials with different glass transition behaviours and crystal structures. Five thermoplastic materials, polyethylene terephthalate glycol (Duran®, Scheu Dental), polypropylene (Hardcast®, Scheu Dental), and polyurethane (SMP MM®, SMP Technologies) with three different glass transition temperatures (T g) were selected. The T g and crystal structure were assessed using differential scanning calorimetry and X-ray diffraction. The deterioration of mechanical properties by thermal cycling and the orthodontic forces during stepwise temperature changes were investigated using nanoindentation testing and custom-made force-measuring system. The mechanical properties were also evaluated by three-point bending tests; shape recovery with heating was then investigated. The mechanical properties for each material were decreased significantly by 2500 cycles and great decrease was observed for Hardcast (crystal plastic) with higher T g (155.5°C) and PU 1 (crystalline or semi-crystalline plastic) with lower T g (29.6°C). The Duran, PU 2, and PU 3 with intermediate T g (75.3°C for Duran, 56.5°C for PU 2, and 80.7°C for PU 3) showed relatively stable mechanical properties with thermal cycling. The polyurethane polymers showed perfect shape memory effect within the range of intraoral temperature changes. The orthodontic force produced by thermoplastic appliances decreased with the stepwise temperature change for all materials. Orthodontic forces delivered by thermoplastic appliances may influence by the T g of the materials, but not the crystal structure. Polyurethane is attractive thermoplastic materials due to their unique shape memory phenomenon, but stress relaxation with temperature changes is expected. © The Author 2015. Published by Oxford University Press on behalf of the European Orthodontic Society. All rights reserved. For

  2. Spherical crystallization: A technique use to reform solubility and flow property of active pharmaceutical ingredients.

    Science.gov (United States)

    Chatterjee, Arindam; Gupta, Madan Mohan; Srivastava, Birendra

    2017-01-01

    Tablets have been choice of manufacturers over the years due to their comparatively low cost of manufacturing, packaging, shipping, and ease of administration; also have better stability and can be considered virtually tamper proof. A major challenge in formulation development of the tablets extends from lower solubility of the active agent to the elaborated manufacturing procedures for obtaining a compressible granular material. Moreover, the validation and documentation increases, as the numbers of steps increases for an industrially acceptable granulation process. Spherical crystallization (SC) is a promising technique, which encompass the crystallization, agglomeration, and spheronization phenomenon in a single step. Initially, two methods, spherical agglomeration, and emulsion solvent diffusion, were suggested to get a desired result. Later on, the introduction of modified methods such as crystallo-co-agglomeration, ammonia diffusion system, and neutralization techniques overcame the limitations of the older techniques. Under controlled conditions such as solvent composition, mixing rate and temperature, spherical dense agglomerates cluster from particles. Application of the SC technique includes production of compacted spherical particles of drug having improved uniformity in shape and size of particles, good bulk density, better flow properties as well as better solubility so SC when used on commercial scale will bring down the production costs of pharmaceutical tablet and will increase revenue for the pharmaceutical industries in the competitive market. This review summarizes the technologies available for SC and also suggests the parameters for evaluation of a viable product.

  3. A Study on the Effects on Low Cycle Fatigue Life of a High Pressure Turbine Nozzle due to the Perturbation of Crystal Orientation of Grain of DS Materials

    Energy Technology Data Exchange (ETDEWEB)

    Huh, Jae Sung; Kang, Young Seok; Rhee, Dong Ho [Korea Aerospace Research Institute, Daejeon (Korea, Republic of)

    2016-07-15

    High pressure components of a gas turbine engine are generally made of nickel-base superalloys, using precision casting process due to complicated geometries with intricate channels and cooling holes. Turbine components manufactured from directionally solidified and single crystal materials have columnar grains; however, it is found that the crystals do not grow in its preferred direction, although the orientation can be controlled. This anisotropy can lead to the variations of elastic and Hill's parameters in constitutive equations, and they alter stress distributions and the low cycle fatigue life. We aims to evaluate the effects of perturbed crystal orientations on the structural integrity of a directionally solidified nozzle using low cycle fatigue life. We also attempt to show the necessity for the control of allowed manufacturing errors and stochastic analysis. Our approaches included conjugate heat transfer and structural analysis, along with low cycle fatigue life assessment.

  4. Applying the X-ray diffraction analysis for estimating the height and width of nanorods in low symmetry crystal multiphase materials

    Science.gov (United States)

    Mokhtari, Ali; Soleimanian, Vishtasb; Dehkordi, Hamed Aleebrahim; Dastafkan, Kamran

    2017-11-01

    In this work the potential of Rietveld refinement procedure is used to study the shape and size of non-spherical nanocrystallites. The main advantages of this approach are that not only it can successfully extend to all nanomaterials with different crystal symmetries but also it can evaluate the various phases of multiple materials comparing to electron microscopy methods. Therefore, between seven crystal systems, the formulation of monoclinic and hexagonal crystals is developed. This procedure is applied for the mixture of sodium carbonate and zinc oxide nanocrystallites at different fractions of doped gadolinium oxide. It is found that the crystallites of sodium carbonate and zinc oxide have the rod and ellipsoidal shapes, respectively. The microstructure results are compared with the results of scanning electron microscopy imaging. Good agreement is achieved between the results of scanning electron microscopy and Rietveld methods.

  5. Synthesis and Isolation of the Titanium-Scandium Endohedral Fullerenes-Sc2 TiC@Ih -C80 , Sc2 TiC@D5h -C80 and Sc2 TiC2 @Ih -C80 : Metal Size Tuning of the Ti(IV) /Ti(III) Redox Potentials.

    Science.gov (United States)

    Junghans, Katrin; Ghiassi, Kamran B; Samoylova, Nataliya A; Deng, Qingming; Rosenkranz, Marco; Olmstead, Marilyn M; Balch, Alan L; Popov, Alexey A

    2016-09-05

    The formation of endohedral metallofullerenes (EMFs) in an electric arc is reported for the mixed-metal Sc-Ti system utilizing methane as a reactive gas. Comparison of these results with those from the Sc/CH4 and Ti/CH4 systems as well as syntheses without methane revealed a strong mutual influence of all key components on the product distribution. Whereas a methane atmosphere alone suppresses the formation of empty cage fullerenes, the Ti/CH4 system forms mainly empty cage fullerenes. In contrast, the main fullerene products in the Sc/CH4 system are Sc4 C2 @C80 (the most abundant EMF from this synthesis), Sc3 C2 @C80 , isomers of Sc2 C2 @C82 , and the family Sc2 C2 n (2 n=74, 76, 82, 86, 90, etc.), as well as Sc3 CH@C80 . The Sc-Ti/CH4 system produces the mixed-metal Sc2 TiC@C2 n (2 n=68, 78, 80) and Sc2 TiC2 @C2 n (2 n=80) clusterfullerene families. The molecular structures of the new, transition-metal-containing endohedral fullerenes, Sc2 TiC@Ih -C80 , Sc2 TiC@D5h -C80 , and Sc2 TiC2 @Ih -C80 , were characterized by NMR spectroscopy. The structure of Sc2 TiC@Ih -C80 was also determined by single-crystal X-ray diffraction, which demonstrated the presence of a short Ti=C double bond. Both Sc2 TiC- and Sc2 TiC2 -containing clusterfullerenes have Ti-localized LUMOs. Encapsulation of the redox-active Ti ion inside the fullerene cage enables analysis of the cluster-cage strain in the endohedral fullerenes through electrochemical measurements. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  6. Optical transmittance investigation of 1-keV ion-irradiated sapphire crystals as potential VUV to NIR window materials of fusion reactors

    Directory of Open Access Journals (Sweden)

    Keisuke Iwano

    2016-10-01

    Full Text Available We investigate the optical transmittances of ion-irradiated sapphire crystals as potential vacuum ultraviolet (VUV to near-infrared (NIR window materials of fusion reactors. Under potential conditions in fusion reactors, sapphire crystals are irradiated with hydrogen (H, deuterium (D, and helium (He ions with 1-keV energy and ∼ 1020-m-2 s-1 flux. Ion irradiation decreases the transmittances from 140 to 260 nm but hardly affects the transmittances from 300 to 1500 nm. H-ion and D-ion irradiation causes optical absorptions near 210 and 260 nm associated with an F-center and an F+-center, respectively. These F-type centers are classified as Schottky defects that can be removed through annealing above 1000 K. In contrast, He-ion irradiation does not cause optical absorptions above 200 nm because He-ions cannot be incorporated in the crystal lattice due to the large ionic radius of He-ions. Moreover, the significant decrease in transmittance of the ion-irradiated sapphire crystals from 140 to 180 nm is related to the light scattering on the crystal surface. Similar to diamond polishing, ion irradiation modifies the crystal surface thereby affecting the optical properties especially at shorter wavelengths. Although the transmittances in the VUV wavelengths decrease after ion irradiation, the transmittances can be improved through annealing above 1000 K. With an optical transmittance in the VUV region that can recover through simple annealing and with a high transparency from the ultraviolet (UV to the NIR region, sapphire crystals can therefore be used as good optical windows inside modern fusion power reactors in terms of light particle loadings of hydrogen isotopes and helium.

  7. SC-FDMA for mobile communications

    CERN Document Server

    Abd El-Samie, Fathi E

    2013-01-01

    SC-FDMA for Mobile Communications examines Single-Carrier Frequency Division Multiple Access (SC-FDMA). Explaining this rapidly evolving system for mobile communications, it describes its advantages and limitations and outlines possible solutions for addressing its current limitations. The book explores the emerging trend of cooperative communication with SC-FDMA and how it can improve the physical layer security. It considers the design of distributed coding schemes and protocols for wireless relay networks where users cooperate to send their data to the destination. Supplying you with the re

  8. Crystal structure determination of solar cell materials: Cu2ZnSnS4 thin films using X-ray anomalous dispersion

    International Nuclear Information System (INIS)

    Nozaki, Hiroshi; Fukano, Tatsuo; Ohta, Shingo; Seno, Yoshiki; Katagiri, Hironori; Jimbo, Kazuo

    2012-01-01

    Highlights: ► Cu 2 ZnSnS 4 thin films as a solar cell material were synthesized. ► The wavelength dependences of the diffraction intensity were measured. ► The crystal structures were clearly identified as kesterite structure for all samples. ► Crystal structure analysis revealed that the atomic compositions were Cu/(Zn + Sn) = 0.97 and Zn/Sn = 1.42 for the sample synthesized using stoichiometric amount of starting materials. - Abstract: The crystal structure of Cu 2 ZnSnS 4 (CZTS) thin films fabricated by vapor-phase sulfurization was determined using X-ray anomalous dispersion. High statistic synchrotron radiation X-ray diffraction data were collected from very small amounts of powder. By analyzing the wavelength dependencies of the diffraction peak intensities, the crystal structure was clearly identified as kesterite. Rietveld analysis revealed that the atomic composition deviated from stoichiometric composition, and the compositions were Cu/(Zn + Sn) = 0.97, and Zn/Sn = 1.42.

  9. Crystal growth, structural, spectral, thermal, dielectric, linear and nonlinear optical characteristics of a new organic acentric material: L-Methionine-Succinic acid (2/1)

    Science.gov (United States)

    Nageshwari, M.; Kumari, C. Rathika Thaya; Vinitha, G.; Mohamed, M. Peer; Sudha, S.; Caroline, M. Lydia

    2018-03-01

    L-Methionine-Succinic acid (2/1) (LMSA), 2C5H11NO2S·C4H6O4, a novel nonlinear optical material which belongs to the class of organic category was grown-up for the first time by the technique of slow evaporation. Purity of LMSA was improved using repetitive recrystallization. LMSA was analyzed by single crystal and powder X-ray diffraction investigation to affirm the crystal structure and crystalline character. The single crystal XRD revealed that LMSA corresponds to the crystal system of triclinic with P1 as space group showing the asymmetric unit consists of a neutral succinic acid molecule and two methionine residues which are crystallographically independent existing in zwitterionic form. The functional groups existing in LMSA was accomplished using Fourier transform infrared spectroscopy. The optical transparency and the band gap energy were identified utilizing UV-Visible spectrum. The optical constants specifically reflectance and extinction coefficient clearly indicate the elevated transparency of LMSA. The thermal analyses affirmed its thermal stability. The luminescence behavior of LMSA has been analyzed by Photoluminescence (PL) spectral study. The mechanical, laser damage threshold and dielectric investigation of LMSA was done to suggest the material for practical applications. The second and third harmonic generation efficacy was confirmed by means of Kurtz-Perry and Z-scan procedure which attest its potentiality in the domain of nonlinear optics.

  10. Determination of trace elements in biological material by neutron activation analysis. [As,Au,Br,Cd,Cl,Co,Cr,Fe,Hg,K,Mn,Na,Ni,Rb,Sb,Sc,Se,Zn

    Energy Technology Data Exchange (ETDEWEB)

    Tran Van, L; Teherani, D K

    1989-04-10

    Eighteen trace elements in biological materials (grass (Imperata cylindrica), mimosa plant (Mimosa pudica), rice) by neutron activation method were determined. In the comparative analysis the content of the same element was different in each material, although they were collected at the same place and the same sampling method was applied. (author) 4 refs.; 1 fig.; 1 tab.

  11. Gallium-containing Heusler phases ScRh{sub 2}Ga, ScPd{sub 2}Ga, TmRh{sub 2}Ga and LuRh{sub 2}Ga. Magnetic and solid state NMR-spectroscopic characterization

    Energy Technology Data Exchange (ETDEWEB)

    Heletta, Lukas; Seidel, Stefan; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Benndorf, Christopher [Leipzig Univ. (Germany). Inst. fuer Mineralogie, Kristallographie und Materialwissenschaften; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Sao Paulo Univ., Sao Carlos (Brazil). Inst. of Physics

    2017-10-01

    The gallium-containing Heusler phases ScRh{sub 2}Ga, ScPd{sub 2}Ga, TmRh{sub 2}Ga and LuRh{sub 2}Ga have been synthesized by arc-melting of the elements followed by different annealing sequences to improve phase purity. The samples have been studied by powder X-ray diffraction. The structures of Lu{sub 0.97}Rh{sub 2}Ga{sub 1.03} (Fm3m, a=632.94(5) pm, wR2=0.0590, 46 F{sup 2} values, seven variables) and Sc{sub 0.88}Rh{sub 2}Ga{sub 1.12} (a=618.91(4) pm, wR2=0.0284, 44 F{sup 2} values, six variables) have been refined from single crystal X-ray diffractometer data. Both gallides show structural disorder through Lu/Ga and Sc/Ga mixing. Temperature dependent magnetic susceptibility measurements showed Pauli paramagnetism for ScRh{sub 2}Ga, ScPd{sub 2}Ga, and LuRh{sub 2}Ga and Curie-Weiss paramagnetism for TmRh{sub 2}Ga. {sup 45}Sc and {sup 71}Ga solid state MAS NMR spectroscopic investigations of the Sc containing compounds confirmed the site mixing effects typically observed for Heusler phases. The data indicate that the effect of mixed Sc/Ga occupancy is significantly stronger in ScRh{sub 2}Ga than in ScPd{sub 2}Ga.

  12. Tunable photonic crystals with partial bandgaps from blue phase colloidal crystals and dielectric-doped blue phases.

    Science.gov (United States)

    Stimulak, Mitja; Ravnik, Miha

    2014-09-07

    Blue phase colloidal crystals and dielectric nanoparticle/polymer doped blue phases are demonstrated to combine multiple components with different symmetries in one photonic material, creating a photonic crystal with variable and micro-controllable photonic band structure. In this composite photonic material, one contribution to the band structure is determined by the 3D periodic birefringent orientational profile of the blue phases, whereas the second contribution emerges from the regular array of the colloidal particles or from the dielectric/nanoparticle-doped defect network. Using the planewave expansion method, optical photonic bands of the blue phase I and II colloidal crystals and related nanoparticle/polymer doped blue phases are calculated, and then compared to blue phases with no particles and to face-centred-cubic and body-centred-cubic colloidal crystals in isotropic background. We find opening of local band gaps at particular points of Brillouin zone for blue phase colloidal crystals, where there were none in blue phases without particles or dopants. Particle size and filling fraction of the blue phase defect network are demonstrated as parameters that can directly tune the optical bands and local band gaps. In the blue phase I colloidal crystal with an additionally doped defect network, interestingly, we find an indirect total band gap (with the exception of one point) at the entire edge of SC irreducible zone. Finally, this work demonstrates the role of combining multiple - by symmetry - differently organised components in one photonic crystal material, which offers a novel approach towards tunable soft matter photonic materials.

  13. Polarized Raman scattering study of PSN single crystals and epitaxial thin films

    Directory of Open Access Journals (Sweden)

    J. Pokorný

    2015-06-01

    Full Text Available This paper describes a detailed analysis of the dependence of Raman scattering intensity on the polarization of the incident and inelastically scattered light in PbSc0.5Nb0.5O3 (PSN single crystals and epitaxially compressed thin films grown on (100-oriented MgO substrates. It is found that there are significant differences between the properties of the crystals and films, and that these differences can be attributed to the anticipated structural differences between these two forms of the same material. In particular, the scattering characteristics of the oxygen octahedra breathing mode near 810 cm-1 indicate a ferroelectric state for the crystals and a relaxor state for the films, which is consistent with the dielectric behaviors of these materials.

  14. Crystal growth and structure of L-methionine L-methioninium hydrogen maleate-a new NLO material

    International Nuclear Information System (INIS)

    Natarajan, Subramanian; Rajan Devi, Neelamagam; Britto Dhas, Sathiya Dhas Martin; Athimoolam, Shanmuganarayanan

    2008-01-01

    A new organic nonlinear optical (NLO) crystal from the amino acid family, viz., L-methionine L-methioninium hydrogen maleate (LMMM), has been grown by slow evaporation method from aqueous solution. Bulk crystals were grown using submerged seed solution method. The structure was elucidated using the single crystal x-ray diffraction data. The compound crystallized in the space group P2 1 and the unit cell contains a protonated L-methioninium cation and a zwitterionic methionine residue plus a maleate anion. The backbone conformation angles Ψ 1 and Ψ 2 are in cis and trans configurations for both the methionine and methioninium residues, respectively. Amino and carboxyl groups of the methioninium and methionine residues are connected through N-H...O hydrogen bonds leading to a ring R 2 2 (10) motif.

  15. Effect of a Polymercaptan Material on the Electro-Optical Properties of Polymer-Dispersed Liquid Crystal Films

    OpenAIRE

    Yujian Sun; Cuihong Zhang; Le Zhou; Hua Fang; Jianhua Huang; Haipeng Ma; Yi Zhang; Jie Yang; Lan-Ying Zhang; Ping Song; Yanzi Gao; Jiumei Xiao; Fasheng Li; Kexuan Li

    2016-01-01

    Polymer-dispersed liquid crystal (PDLC) films were prepared by the ultraviolet-light-induced polymerization of photopolymerizable monomers in nematic liquid crystal/chiral dopant/thiol-acrylate reaction monomer composites. The effects of the chiral dopant and crosslinking agents on the electro-optical properties of the PDLC films were systematically investigate. While added the chiral dopant S811 into the PDLC films, the initial off-state transmittance of the films was decreased. It was found...

  16. 33 CFR 80.712 - Morris Island, SC to Hilton Head Island, SC.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Morris Island, SC to Hilton Head..., SC to Hilton Head Island, SC. (a) A line drawn from the easternmost tip of Folley Island to the... easternmost extremity of Hilton Head at latitude 32°13.0′ N. longitude 80°40.1′ W. [CGD 77-118a, 42 FR 35784...

  17. Zero lattice mismatch and twin-free single crystalline ScN buffer layers for GaN growth on silicon

    Energy Technology Data Exchange (ETDEWEB)

    Lupina, L.; Zoellner, M. H.; Dietrich, B.; Capellini, G. [IHP, Im Technologiepark 25, 15236 Frankfurt, Oder (Germany); Niermann, T.; Lehmann, M. [Technische Universität Berlin, Institut für Optik und Atomare Physik, Straße des 17. Juni 135, 10623 Berlin (Germany); Thapa, S. B.; Haeberlen, M.; Storck, P. [SILTRONIC AG, Hanns-Seidel-Platz 4, 81737 München (Germany); Schroeder, T. [IHP, Im Technologiepark 25, 15236 Frankfurt, Oder (Germany); BTU Cottbus, Konrad-Zuse-Str. 1, 03046 Cottbus (Germany)

    2015-11-16

    We report the growth of thin ScN layers deposited by plasma-assisted molecular beam epitaxy on Sc{sub 2}O{sub 3}/Y{sub 2}O{sub 3}/Si(111) substrates. Using x-ray diffraction, Raman spectroscopy, and transmission electron microscopy, we find that ScN films grown at 600 °C are single crystalline, twin-free with rock-salt crystal structure, and exhibit a direct optical band gap of 2.2 eV. A high degree of crystalline perfection and a very good lattice matching between ScN and GaN (misfit < 0.1%) makes the ScN/Sc{sub 2}O{sub 3}/Y{sub 2}O{sub 3} buffer system a very promising template for the growth of high quality GaN layers on silicon.

  18. The study of electromagnetic wave propagation in photonic crystals via planewave based transfer (scattering) matrix method with active gain material applications

    Science.gov (United States)

    Li, Ming

    In this dissertation, a set of numerical simulation tools are developed under previous work to efficiently and accurately study one-dimensional (1D), two-dimensional (2D), 2D slab and three-dimensional (3D) photonic crystal structures and their defects effects by means of spectrum (transmission, reflection, absorption), band structure (dispersion relation), and electric and/or magnetic fields distribution (mode profiles). Further more, the lasing property and spontaneous emission behaviors are studied when active gain materials are presented in the photonic crystal structures. First, the planewave based transfer (scattering) matrix method (TMM) is described in every detail along with a brief review of photonic crystal history (Chapter 1 and 2). As a frequency domain method, TMM has the following major advantages over other numerical methods: (1) the planewave basis makes Maxwell's Equations a linear algebra problem and there are mature numerical package to solve linear algebra problem such as Lapack and Scalapack (for parallel computation). (2) Transfer (scattering) matrix method make 3D problem into 2D slices and link all slices together via the scattering matrix (S matrix) which reduces computation time and memory usage dramatically and makes 3D real photonic crystal devices design possible; and this also makes the simulated domain no length limitation along the propagation direction (ideal for waveguide simulation). (3) It is a frequency domain method and calculation results are all for steady state, without the influences of finite time span convolution effects and/or transient effects. (4) TMM can treat dispersive material (such as metal at visible light) naturally without introducing any additional computation; and meanwhile TMM can also deal with anisotropic material and magnetic material (such as perfectly matched layer) naturally from its algorithms. (5) Extension of TMM to deal with active gain material can be done through an iteration procedure with gain

  19. Growth of dopamine crystals

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-06

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

  20. Understanding the importance of the temperature dependence of viscosity on the crystallization dynamics in the Ge2Sb2Te5 phase-change material

    Science.gov (United States)

    Aladool, A.; Aziz, M. M.; Wright, C. D.

    2017-06-01

    The crystallization dynamics in the phase-change material Ge2Sb2Te5 is modelled using the more detailed Master equation method over a wide range of heating rates commensurate with published ultrafast calorimetry experiments. Through the attachment and detachment of monomers, the Master rate equation naturally traces nucleation and growth of crystallites with temperature history to calculate the transient distribution of cluster sizes in the material. Both the attachment and detachment rates in this theory are strong functions of viscosity, and thus, the value of viscosity and its dependence on temperature significantly affect the crystallization process. In this paper, we use the physically realistic Mauro-Yue-Ellison-Gupta-Allan viscosity model in the Master equation approach to study the role of the viscosity model parameters on the crystallization dynamics in Ge2Sb2Te5 under ramped annealing conditions with heating rates up to 4 × 104 K/s. Furthermore, due to the relatively low computational cost of the Master equation method compared to atomistic level computations, an iterative numerical approach was developed to fit theoretical Kissinger plots simulated with the Master equation system to experimental Kissinger plots from ultrafast calorimetry measurements at increasing heating rates. This provided a more rigorous method (incorporating both nucleation and growth processes) to extract the viscosity model parameters from the analysis of experimental data. The simulations and analysis revealed the strong coupling between the glass transition temperature and fragility index in the viscosity and crystallization models and highlighted the role of the dependence of the glass transition temperature on the heating rate for the accurate estimation of the fragility index of phase-change materials from the analysis of experimental measurements.

  1. Phonon and thermodynamical properties of CuSc: A DFT study

    Science.gov (United States)

    Jain, Ekta; Pagare, Gitanjali; Dubey, Shubha; Sanyal, S. P.

    2018-05-01

    A detailed systematic theoretical investigation of phonon and thermodynamical behavior of CuSc intermetallic compound has been carried out by uing first-principles density functional theory in B2-type (CsCl) crystal structure. Phonon dispersion curve and phonon density of states (PhDOS) are studied which confirm the stability of CuSc intermetallic compound in B2 phase. It is found that PhDOS at high frequencies mostly composed of Sc states. We have also presented some temperature dependent properties such as entropy, free energy, heat capacity, internal energy and thermal displacement, which are computed under PHONON code. The various features of these quantities are discussed in detail. From these results we demonstrate that the particular intermetallic have better ductility and larger thermal expansion.

  2. Influence of Sc doping concentration on electronic structure and optical properties of ZnO

    International Nuclear Information System (INIS)

    Wu Yuxi; Zhang Hao; Han Long; Qu Licheng; Gu Shulin; Li Teng

    2011-01-01

    In this paper, we adopt the density functional theory (DFT) plane wave pseudopotential method to study the crystal structure, electronic structure and optical property for the different concentrations of Sc doped ZnO system. We optimize the structure of Sc and get the basis of numerical simulation. The results show that with the adoption of Sc, the lattice constants of the system increase gradually, the energy of the system becomes larger, the Fermi level enters into the conduction band, the system shows Metallic gradually and the band gap becomes wider. On the other hand, certain changes of the optical properties of doped ZnO have taken place, i. e., a new absorption peak happens in ZnO absorption spectrum and the blue shift of absorption edge with the new peak occurs in the imagery part of dielectric function. (authors)

  3. Photonic crystal light source

    Science.gov (United States)

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

    2004-07-27

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

  4. Crystal growth by Bridgman and Czochralski method of the ferromagnetic quantum critical material YbNi4P2

    Science.gov (United States)

    Kliemt, K.; Krellner, C.

    2016-09-01

    The tetragonal YbNi4P2 is one of the rare examples of compounds that allow the investigation of a ferromagnetic quantum critical point. We report in detail on two different methods which have been used to grow YbNi4P2 single crystals from a self-flux. The first, a modified Bridgman method, using a closed crucible system yields needle-shaped single crystals oriented along the [001]-direction. The second method, the Czochralski growth from a levitating melt, yields large single crystals which can be cut in any desired orientation. With this crucible-free method, samples without flux inclusions and a resistivity ratio at 1.8 K of RR1.8K = 17 have been grown.

  5. Selection of LEU/Th reference fuel for the HTGR-SC/C lead plant

    International Nuclear Information System (INIS)

    Turner, R.F.; Neylan, A.J.; Baxter, A.M.; McEachern, D.W.; Stansfield, O.M.

    1983-05-01

    This paper describes the reference fuel materials for the high-temperature gas-cooled reactor (HTGR) plant for steam cycle/cogeneration (SC/C). A development and testing program carried out in 1978 through 1982 led to the selection of coated fuel particles of uranium-oxycarbide (UCO) for fissile materials and thorium oxide (ThO 2 ) for fertiel materials. Low-enriched uranium (LEU) is the enrichment basis for the HTGR-SC/C application. While UC 2 and UO 2 would also meet the essential criteria for fissile fuel, the UCO, alternative was selected on the basis of improved performance, economics, and process conditions

  6. Optical properties of Ho3+-doped NaGd(WO4)2 crystal for laser materials

    International Nuclear Information System (INIS)

    Wang, Hongyan; Li, Jianfu; Jia, Guohua; You, Zhenyu; Yang, Fugui; Wei, Yanping; Wang, Yan; Zhu, Zhaojie; Lu, Xiuai; Tu, Chaoyang

    2007-01-01

    Holmium doped sodium gadolinium tungstate crystals with sizes of about O20 mm x 40 mm were grown successfully by the Czochralski technique along the (0 0 1) orientation. Polarized absorption spectra, fluorescence spectra and fluorescence decay curve of Ho 3+ -doped NaGd(WO 4 ) 2 have been recorded at room temperature. Based on the Judd-Ofelt theory, three intensity parameters were obtained. The spectroscopic parameters of this crystal such as the oscillator strengths, radiative transition probabilities, radiative lifetimes as well as the branching ratios were calculated. The fluorescence lifetime τ f of the 5 S 2 level was measured to be 5 μs

  7. Impregnated cathode coated with tungsten thin film containing Sc2O3

    International Nuclear Information System (INIS)

    Yamamoto, S.; Taguchi, S.; Watanabe, I.; Kawase, S.

    1987-01-01

    An impregnated cathode of a novel structure is proposed, fabricated, and evaluated. A thin tungsten film 100--400 nm in thickness containing various amounts of Sc 2 O 3 is coated on a standard impregnated cathode composed of a porous tungsten body in which electron emissive materials are impregnated. The electron emission property measured with a diode configuration is found to be dependent on Sc 2 O 3 content and surface atom distribution. Surface atom distribution is depicted by means of Auger electron spectroscopy. For high electron emission enhancement it is necessary for Sc 2 O 3 content to be 2.5--6.5 wt. % and for a layer of the order of a monolayer in thickness composed of Ba, Sc, and O to develop on the cathode surface

  8. Reaction of intermetallic compounds of the ScT composition (T=Ag, Cu, Zn, Ni) with hydrogen

    International Nuclear Information System (INIS)

    Shilkin, S.P.; Volkova, L.S.; Tarasov, B.P.

    1995-01-01

    Reaction of intermetallic compounds of ScT composition (T=Ag, Cu, Zn, Ni), crystallized in CsCl structural type, with hydrogen at 0.2-10 MPa pressure and 293-673 K temperature is studied by chemical, x-ray phase and complex thermogravimetry analysis methods. It is shown that under such conditions hydrogen absorption by ScAg and ScCu is accompanied by the decay of their source matrices into scandium dihydride and metal silver and copper respectively. For ScZn a fine-dispersion mixture of scandium dihydride with zinc and hydride phase of a new zinc-containing intermetallic compound appears to be the finite reaction product. In case of ScNi a hydride phase of ScNiH 2.6 composition is produced, which is crystallized in a rhombic syngony with the lattice periods: a=0.5281±0.0007, b=0.7393±0.0009 and c=0.3327±0.0004 nm. 9 refs.; 2 tabs

  9. The Study of Electromagnetic Wave Propogation in Photonic Crystals Via Planewave Based Transfer (Scattering) Matrix Method with Active Gain Material Applications

    Energy Technology Data Exchange (ETDEWEB)

    LI, Ming [Iowa State Univ., Ames, IA (United States)

    2007-01-01

    In this dissertation, a set of numerical simulation tools are developed under previous work to efficiently and accurately study one-dimensional (1D), two-dimensional(2D), 2D slab and three-dimensional (3D) photonic crystal structures and their defects effects by means of spectrum (transmission, reflection, absorption), band structure (dispersion relation), and electric and/or magnetic fields distribution (mode profiles). Furthermore, the lasing property and spontaneous emission behaviors are studied when active gain materials are presented in the photonic crystal structures. Various physical properties such as resonant cavity quality factor, waveguide loss, propagation group velocity of electromagnetic wave and light-current curve (for lasing devices) can be obtained from the developed software package.

  10. High Reflectance Nanoscale V/Sc Multilayer for Soft X-ray Water Window Region.

    Science.gov (United States)

    Huang, Qiushi; Yi, Qiang; Cao, Zhaodong; Qi, Runze; Loch, Rolf A; Jonnard, Philippe; Wu, Meiyi; Giglia, Angelo; Li, Wenbin; Louis, Eric; Bijkerk, Fred; Zhang, Zhong; Wang, Zhanshan

    2017-10-10

    V/Sc multilayer is experimentally demonstrated for the first time as a high reflectance mirror for the soft X-ray water window region. It primarily works at above the Sc-L edge (λ = 3.11 nm) under near normal incidence while a second peak appears at above the V-L edge (λ = 2.42 nm) under grazing incidence. The V/Sc multilayer fabricated with a d-spacing of 1.59 nm and 30 bilayers has a smaller interface width (σ = 0.27 and 0.32 nm) than the conventional used Cr/Sc (σ = 0.28 and 0.47 nm). For V/Sc multilayer with 30 bilayers, the introduction of B 4 C barrier layers has little improvement on the interface structure. As the number of bilayers increasing to 400, the growth morphology and microstructure of the V/Sc layers evolves with slightly increased crystallization. Nevertheless, the surface roughness remains to be 0.25 nm. A maximum soft X-ray reflectance of 18.4% is measured at λ = 3.129 nm at 9° off-normal incidence using the 400-bilayers V/Sc multilayer. According to the fitted model, an s-polarization reflectance of 5.2% can also be expected at λ = 2.425 nm under 40° incidence. Based on the promising experimental results, further improvement of the reflectance can be achieved by using a more stable deposition system, exploring different interface engineering methods and so on.

  11. AlScN thin film based surface acoustic wave devices with enhanced microfluidic performance

    International Nuclear Information System (INIS)

    Wang, W B; Xuan, W P; Chen, J K; Wang, X Z; Luo, J K; Fu, Y Q; Chen, J J; Duan, P F; Mayrhofer, P; Bittner, A; Schmid, U

    2016-01-01

    This paper reports the characterization of scandium aluminum nitride (Al 1−xS c xN , x   =  27%) films and discusses surface acoustic wave (SAW) devices based on them. Both AlScN and AlN films were deposited on silicon by sputtering and possessed columnar microstructures with (0 0 0 2) crystal orientation. The AlScN/Si SAW devices showed improved electromechanical coupling coefficients ( K 2 , ∼2%) compared with pure AlN films (<0.5%). The performance of the two types of devices was also investigated and compared, using acoustofluidics as an example. The AlScN/Si SAW devices achieved much lower threshold powers for the acoustic streaming and pumping of liquid droplets, and the acoustic streaming and pumping velocities were 2  ×  and 3  ×  those of the AlN/Si SAW devices, respectively. Mechanical characterization showed that the Young’s modulus and hardness of the AlN film decreased significantly when Sc was doped, and this was responsible for the decreased acoustic velocity and resonant frequency, and the increased temperature coefficient of frequency, of the AlScN SAW devices. (paper)

  12. Structure and bonding of ScCN and ScNC: Ground and low-lying states

    International Nuclear Information System (INIS)

    Kalemos, Apostolos; Metropoulos, Aristophanes; Mavridis, Aristides

    2012-01-01

    Graphical abstract: The experimentally unknown systems ScCN and ScNC have been studied through single reference CISD and CCSD(T) methods. A total of 20 = 10 (ScCN) + 10 (ScNC) states were examined. All states are quite ionic whereas ScNC(X ∼3 Δ) is stabler than ScCN(X ∼3 Δ) by ∼5 kcal/mol. Display Omitted Highlights: ► We have studied through ab initio methods the polytopic system Sc[CN]. ► A series of low lying states for both isomeric forms have been examined. ► Around equilibrium the system displays a pronounced Sc + [CN] − ionic character. - Abstract: We have studied the experimentally unknown Sc[CN] molecular system in both its isomeric forms, scandium cyanide (ScCN) and isocyanide (ScNC), through ab initio computations. We report energetics, geometries, harmonic frequencies, and dipole moments for the first 20 Sc[CN] states correlating diabatically to Sc + ( 3 D, 1 D, 3 F) + CN − (X 1 Σ + ). Both isomers have a pronounced ionic character around equilibrium due to the high electron affinity of the CN group and the low ionization energy of the Sc atom. According to our calculations the ScNC isomer (X ∼3 Δ) is stabler than the ScCN(X ∼3 Δ) by ∼5 kcal/mol.

  13. 3D holographic polymer photonic crystal for superprism application

    Science.gov (United States)

    Chen, Jiaqi; Jiang, Wei; Chen, Xiaonan; Wang, Li; Zhang, Sasa; Chen, Ray T.

    2007-02-01

    Photonic crystal based superprism offers a new way to design new optical components for beam steering and DWDM application. 3D photonic crystals are especially attractive as they could offer more control of the light beam based on the needs. A polygonal prism based holographic fabrication method has been demonstrated for a three-dimensional face-centered-cubic (FCC)-type submicron polymer photonic crystal using SU8 as the photo-sensitive material. Therefore antivibration equipment and complicated optical alignment system are not needed and the requirement for the coherence of the laser source is relaxed compared with the traditional holographic setup. By changing the top-cut prism structure, the polarization of the laser beam, the exposure and development conditions we can achieve different kinds of triclinic or orthorhombic photonic crystals on demand. Special fabrication treatments have been introduced to ensure the survivability of the fabricated large area (cm2) nano-structures. Scanning electron microscopy and diffraction results proved the good uniformity of the fabricated structures. With the proper design of the refraction prism we have achieved a partial bandgap for S+C band (1460-1565nm) in the [111] direction. The transmission and reflection spectra obtained by Fourier transform infrared spectroscopy (FTIR) are in good agreement with simulated band structure. The superprism effects around 1550nm wavelength for the fabricated 3D polymer photonic crystal have been theoretically calculated and such effects can be used for beam steering purpose.

  14. A crystal chemistry approach for high-power ytterbium doped solid-state lasers: diffusion-bonded crystals and new crystalline hosts; Relations structures-proprietes dans les lasers solides de puissance a l'ytterbium: elaboration et caracterisation de nouveaux materiaux et de cristaux composites soudes par diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Gaume, R

    2002-11-15

    This work deals with ytterbium based crystals for high-power laser applications. In particular, we focus our interest in reducing crystal heating and its consequences during laser operation following two different ways. First, we review the specific properties of ytterbium doped solid-state lasers in order to define a figure-of-merit which gives the evaluation of laser performances, thermo-mechanical and thermo-optical properties. Bearing in mind this analysis, we propose a set of theoretical tools, based on the crystallographic structure of the crystal and its chemical composition, to predict thermo-mechanical and optical potentials. This approach, used for the seek of new Yb{sup 3+}-doped materials for high-power laser applications, shows that simple oxides containing rare-earths are favorable. Therefore, the spectroscopic properties of six new materials Yb{sup 3+}:GdVO{sub 4}, Yb{sup 3+}:GdAlO{sub 3}, Yb{sup 3+}:Gd{sub 2}O{sub 3}, Yb{sup 3+}:Sc{sub 2}SiO{sub 5}, Yb{sup 3+}:CaSc{sub 2}O{sub 4} and Yb{sup 3+}:SrSc{sub 2}O{sub 4} are described. The second aspect developed in this work deals with thermal properties enhancement of already well characterized laser materials. Two different ways are explored: a) elaboration by diffusion bonding of end-caps lasers with undoped crystals (composite crystals). Thus, different composites were obtained and a fairly lowering of thermal lensing effect was observed during laser operation. b) strengthening of crystalline structures by ionic substitution of one of its constituents. We demonstrate how crystal growth ability can be improved by a cationic substitution in the case of Yb{sup 3+}:BOYS, a largely-tunable laser material which is of great interest for femtosecond pulses generation. (author)

  15. A crystal chemistry approach for high-power ytterbium doped solid-state lasers: diffusion-bonded crystals and new crystalline hosts; Relations structures-proprietes dans les lasers solides de puissance a l'ytterbium: elaboration et caracterisation de nouveaux materiaux et de cristaux composites soudes par diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Gaume, R

    2002-11-15

    This work deals with ytterbium based crystals for high-power laser applications. In particular, we focus our interest in reducing crystal heating and its consequences during laser operation following two different ways. First, we review the specific properties of ytterbium doped solid-state lasers in order to define a figure-of-merit which gives the evaluation of laser performances, thermo-mechanical and thermo-optical properties. Bearing in mind this analysis, we propose a set of theoretical tools, based on the crystallographic structure of the crystal and its chemical composition, to predict thermo-mechanical and optical potentials. This approach, used for the seek of new Yb{sup 3+}-doped materials for high-power laser applications, shows that simple oxides containing rare-earths are favorable. Therefore, the spectroscopic properties of six new materials Yb{sup 3+}:GdVO{sub 4}, Yb{sup 3+}:GdAlO{sub 3}, Yb{sup 3+}:Gd{sub 2}O{sub 3}, Yb{sup 3+}:Sc{sub 2}SiO{sub 5}, Yb{sup 3+}:CaSc{sub 2}O{sub 4} and Yb{sup 3+}:SrSc{sub 2}O{sub 4} are described. The second aspect developed in this work deals with thermal properties enhancement of already well characterized laser materials. Two different ways are explored: a) elaboration by diffusion bonding of end-caps lasers with undoped crystals (composite crystals). Thus, different composites were obtained and a fairly lowering of thermal lensing effect was observed during laser operation. b) strengthening of crystalline structures by ionic substitution of one of its constituents. We demonstrate how crystal growth ability can be improved by a cationic substitution in the case of Yb{sup 3+}:BOYS, a largely-tunable laser material which is of great interest for femtosecond pulses generation. (author)

  16. Determination of a new structure type in the Sc-Fe-Ge-Sn system

    Energy Technology Data Exchange (ETDEWEB)

    Brgoch, Jakoah [Department of Chemistry, Iowa State University, Ames, IA 50011 (United States); Ran, Sheng [Ames Laboratory, US Department of Energy, Ames, IA 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Thimmaiah, Srinivasa [Department of Chemistry, Iowa State University, Ames, IA 50011 (United States); Ames Laboratory, US Department of Energy, Ames, IA 50011 (United States); Canfield, Paul C. [Ames Laboratory, US Department of Energy, Ames, IA 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Miller, Gordon J., E-mail: gmiller@iastate.edu [Department of Chemistry, Iowa State University, Ames, IA 50011 (United States); Ames Laboratory, US Department of Energy, Ames, IA 50011 (United States)

    2013-01-05

    Highlights: Black-Right-Pointing-Pointer A new structure type with the composition Sc{sub 4}Fe{sub 5}Ge{sub 6.10(3)}Sn{sub 1.47(2)}. Black-Right-Pointing-Pointer Crystallizes in the space group Immm (No. 71, oI144). Black-Right-Pointing-Pointer Sample obtained using a reactive Sn flux. Black-Right-Pointing-Pointer Electronic structure calculations indicate polar intermetallic bonding network. - Abstract: A new structure type has been discovered in the system Sc-Fe-Ge-Sn by employing Sn as a flux medium. According to single crystal X-ray diffraction, the new structure has a composition of Sc{sub 4}Fe{sub 5}Ge{sub 6.10(3)}Sn{sub 1.47(2)} and crystallizes in the space group Immm (No. 71, oI144) with lattice parameters of a = 5.230(1) A, b = 13.467(3) A, and c = 30.003(6) A. The structure is composed of square anti-prismatic clusters that are condensed into zig-zag chains along the [0 1 0] direction. These chains are further condensed through a split Sn/Ge position, forming a three-dimensional network. Magnetization measurements indicate an antiferromagnetic phase transition near 240 K. Electronic structure calculations identified the most favorable bonding network in this new system. Using crystal orbital Hamilton population (COHP) curves and their integrated values (ICOHP), a polar intermetallic bonding network involving Sc-Ge as well as Fe-Sn and Fe-Ge contacts can be assigned to this new structure type.

  17. Investigation on the elastic properties of Gd-Sc-Al garnet by the Mandelstam-Brillouin light scattering method

    International Nuclear Information System (INIS)

    Zharikov, E.V.; Zagumennyj, A.I.; Kitaeva, V.F.; Lutts, G.B.; Terskov, D.B.

    1991-01-01

    The Gd-Sc-Al garnet (GSAG) crystals grown from the melt with composition Gd 2.88 Sc 1.89 Al 3.23 O 12 , were investigated. The GSAG doped with chromium was also studied. The Mandelstam-Brillouin (MB) light scattering in the GSAG crystals was observed. The garnet elastic components were determined using the data on the MB component shifts, the products of the elastic constants by molar volume were calculated as well. The GSAG is elastically anisotropic. The doping addition introduction do not cause noticeable change in the elastic properties. The obtained values of elastic constants and their combinations for GSAG were compared with the data for aluminium and gallium garnets. The comparison has shown that the values of elastic constants for GSAG is closer to those for Gd-Sc-Ga garnet than to the corresponding values for the Y-Al one

  18. Crystal Growth Technology

    Science.gov (United States)

    Scheel, Hans J.; Fukuda, Tsuguo

    2004-06-01

    This volume deals with the technologies of crystal fabrication, of crystal machining, and of epilayer production and is the first book on industrial and scientific aspects of crystal and layer production. The major industrial crystals are treated: Si, GaAs, GaP, InP, CdTe, sapphire, oxide and halide scintillator crystals, crystals for optical, piezoelectric and microwave applications and more. Contains 29 contributions from leading crystal technologists covering the following topics: General aspects of crystal growth technology Silicon Compound semiconductors Oxides and halides Crystal machining Epitaxy and layer deposition Scientific and technological problems of production and machining of industrial crystals are discussed by top experts, most of them from the major growth industries and crystal growth centers. In addition, it will be useful for the users of crystals, for teachers and graduate students in materials sciences, in electronic and other functional materials, chemical and metallurgical engineering, micro-and optoelectronics including nanotechnology, mechanical engineering and precision-machining, microtechnology, and in solid-state sciences.

  19. Crystallization Pathways in Biomineralization

    Science.gov (United States)

    Weiner, Steve; Addadi, Lia

    2011-08-01

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

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

    Science.gov (United States)

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

    2018-01-01

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

  1. Nd and Sc co-doped BiFeO{sub 3} nanopowders displaying enhanced ferromagnetism at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Hernández, N., E-mail: netzahualpille.hernandeznv@uanl.edu.mx [Centro de Innovación, Investigación y Desarrollo en Ingeniería y Tecnología, Km. 10 Nueva carretera al Aeropuerto Internacional de Monterrey, PIIT Monterrey, CP 66600 Apodaca, Nuevo León (Mexico); González-González, V.A. [Centro de Innovación, Investigación y Desarrollo en Ingeniería y Tecnología, Km. 10 Nueva carretera al Aeropuerto Internacional de Monterrey, PIIT Monterrey, CP 66600 Apodaca, Nuevo León (Mexico); Facultad de Ingeniería Mecánica y Eléctrica, Universidad Autónoma de Nuevo León, Pedro de Alba S/N, San Nicolás de los Garza, Nuevo León 66450 (Mexico); Dzul-Bautista, I.B. [Centro de Innovación, Investigación y Desarrollo en Ingeniería y Tecnología, Km. 10 Nueva carretera al Aeropuerto Internacional de Monterrey, PIIT Monterrey, CP 66600 Apodaca, Nuevo León (Mexico); Gutiérrez, J.; Barandiarán, J.M. [Basque Center for Materials, Applications and Nanostructures (BCMaterials), Universidad del País Vasco (UPV/EHU), Parque Tecnológico de Bizkaia, Ed. 500, Derio 48160 (Spain); and others

    2015-07-25

    Highlights: • Will study the structure of materials obtained. • A well crystallized BiFeO{sub 3} doped material was obtained without further annealing. • The obtained nanoparticles have sizes less than 60 nm. • Enhanced ferromagnetic materials was obtained. - Abstract: We have developed a novel synthetic route for the preparation of single phase Nd{sub x}Bi{sub 1−x}Fe{sub 0.95}Sc{sub 0.05}O{sub 3} (NBFSO) nanopowder materials by a surfactant-assisted combustion-derived method. Rietveld fitting of the Powder X-ray diffraction data showed the nanopowder structure evolves from a distorted rhombohedral BiFeO{sub 3} crystalline structure (R3c, x = 0) to a orthorhombic structure (Pbnm, x = 0.10). Differential thermal analysis and thermogravimetric analysis (DTA/TGA) showed a crystallization temperature of 200 °C. Transmission electron microscopy (TEM) images revealed the presence of clusters formed by fine nanoparticles less than 60 nm in diameter. From Raman spectroscopy, the change from rhombohedral structure to cubic structure was observed by a drastic intensity reduction of the A{sub 1}{sup −2} and A{sub 1}{sup −3} Raman modes, with the A{sub 1}{sup −1} and A{sub 1}{sup −2} modes gradually merging together, indicating the merge of the orthorhombic phase. Despite the antiferromagnetic nature of bulk BiFeO{sub 3}, the NBFSO nanopowders obtained displayed a ferromagnetic hysteresis loop, with coercivities of 0.08 T and remanent magnetizations of 0.65–4.05 Am{sup 2}/kg when measured at room temperature. The increasing and uncompensated spins at the surface of nanoparticles and the canted internal spin by the tilt of FeO{sub 6} octahedral units and the structure transition appear to be the main reason for observed this ferromagnetic behavior.

  2. Crystal growth, vibrational, optical, thermal and theoretical studies of a nonlinear optical material: 2-Methyl 3,5-dinitrobenzoic acid

    Energy Technology Data Exchange (ETDEWEB)

    Sangeetha, K. [Department of Physics, Sri Sarada College for Women, Salem-16 (India); Guru Prasad, L. [Department of Science & Humanities, M. Kumarasamy College of Engineering, Karur (India); Mathammal, R. [Department of Physics, Sri Sarada College for Women, Salem-16 (India)

    2016-11-15

    Single crystals of 2-methyl 3,5-dinitro benzoic acid with reasonable size have been grown by slow evaporation solution growth method using ethanol as solvent. Quantum chemical calculation of 2-methyl 3,5-Dinitro benzoic acid was carried out by using DFT/B3LYP/6-31+G(d,p) method. The powder X-ray diffraction pattern was recorded and indexed. Both the experimental and theoretical vibrational spectrum validates the presence of functional groups. Polarizability, first order hyperpolarizability and the electric dipole moment values have been computed theoretically. The {sup 1}H and {sup 13}C NMR chemical shift of the molecule was calculated and compared with experimental results. TG/DSC analysis has been employed to understand the thermal and physio-chemical stability of the title compound. Frequency conversion property of the crystal was tested by Kurtz and Perry method. Optical absorption behavior of the grown crystal was examined by recording the optical spectrum and band gap energy was also estimated. The calculated HOMO and LUMO energy shows the charge transfer nature of the molecule.

  3. Laser photoelectron spectrometry of Sc- and Y-

    International Nuclear Information System (INIS)

    Feigerle, C.S.; Herman, Z.; Lineberger, W.C.

    1981-01-01

    The photoelectron spectra of Sc - and Y - have been obtained in a crossed ion- and laser-beam experiment. Analysis of the Sc - spectrum yields two bound terms of 3d4s 2 4p configuration ( 1 D 0 and 3 D 0 ), with EA(Sc) = 0.189 +- 0.020 eV and an excited-state binding energy of 0.042 +- 0.020 eV. Similarly, the (4d5s 2 5p) 1 D 0 ground state of Y - is bound by 0.308 +- 0.012 eV and a (4d5s 2 5p) 3 D 0 excited term is bound by 0.165 +- 0.025 eV. With the determination of the bound electronic configuration of Sc - as 3d4s 2 4p, the order of filling of electron shells of the first transition series negative ions is found to be 4s 2 ep, 3d4s 2 4p, the order of filling of electron shells of the first transition series negative ions is found to be 4s 2 4p, 3d4s 2 4p, followed by 3dsup(k) 4s 2 (k = 3, 4, ..., 10). (orig.)

  4. Final Scientific Report: DE-SC0008580

    Energy Technology Data Exchange (ETDEWEB)

    Seidler, Gerald T. [Univ. of Washington, Seattle, WA (United States)

    2017-03-16

    We report scientific, technical, and organizational accomplishments under DE-SC0008580. This includes 10 publications, 5 patent or provisional patent applications, beamtime with important results at both LCLS and APS, and new progress in understanding target design for x-ray heating experiments at x-ray heating facilities.

  5. The Synchrocyclotron (SC) in building 300

    CERN Multimedia

    Maximilien Brice

    2012-01-01

    The red magnet of CERN's first accelerator, the Synchrocyclotron (SC), has occupied a large part of Hall 300 since it was installed in the late 1950s. The remaining part of the 300-square-metre building has been used as a storage room since the accelerator was shut down in 1990. Now a public exhibition will breathe new life into the hall.

  6. Magnet measuring equipment of SC2

    CERN Multimedia

    CERN PhotoLab

    1974-01-01

    Checking the positioning of the magnet measuring equipment installed between the poles of SC2. The steel structure in front of the magnet is designed to house the rotary condenser and to shield it from the stray magnetic field of the accelerator.

  7. Magnet measuring equipment of SC2

    CERN Multimedia

    1974-01-01

    Checking the positioning of the magnet measuring equipment installed between the poles of SC2. The steel structure in front of the magnet is designed to house the rotary condenser and to shield it from the stray magnetic field of the accelerator. On the left, Marinus van Gulik. (See Photo Archive 7402005 and Annual Report 1974, p. 44.)

  8. Knowledge insufficient: the management of haemoglobin SC disease.

    Science.gov (United States)

    Pecker, Lydia H; Schaefer, Beverly A; Luchtman-Jones, Lori

    2017-02-01

    Although haemoglobin SC (HbSC) accounts for 30% of sickle cell disease (SCD) in the United States and United Kingdom, evidence-based guidelines for genotype specific management are lacking. The unique pathology of HbSC disease is complex, characterized by erythrocyte dehydration, intracellular sickling and increased blood viscosity. The evaluation and treatment of patients with HbSC is largely inferred from studies of SCD consisting mostly of haemoglobin SS (HbSS) patients. These studies are underpowered to allow definitive conclusions about HbSC. We review the pathophysiology of HbSC disease, including known and potential differences between HbSS and HbSC, and highlight knowledge gaps in HbSC disease management. Clinical and translational research is needed to develop targeted treatments and to validate management recommendations for efficacy, safety and impact on quality of life for people with HbSC. © 2016 John Wiley & Sons Ltd.

  9. Magnesium sulfate salts and historic building materials: experimental simulation of limestone flaking by relative humidity cycling and crystallization of salts

    Directory of Open Access Journals (Sweden)

    Pinchin, S.

    2008-06-01

    Full Text Available Magnesium sulfate salts often result from the combination of incompatible construction materials, such as stone or mortar with high magnesium content and sulfates from adjacent mortars or polluted air. When combined with a source of moisture, these materials react to form soluble salts, often leading to significant damage by flaking of the stone, as the magnesium sulfate responds to fluctuating environmental conditions. Several laboratory experiments were performed to reproduce surface flaking on different types of limestone from Spain and the UK to evaluate the effects of humidity cycling on the damage of stone by salt crystallization. The two salt solutions used for the experiments were a single salt of magnesium sulfate and a mixture of magnesium sulfate, calcium sulfate and sodium chloride, a typical salt mixture found in damaged stone at the site of Howden Minster (UK. A climate chamber with precise and programmable temperature and humidity control was used to test the hypothesis that salt damage in the stone can be readily caused by humidity fluctuations. Damage was monitored using Linear Variable Differential Transformer (LVDT, which measure transducers displacement by dimensional change on the order of microns. In addition, Ion Chromatography, Environmental Scanning Electron Microscopy with energy dispersive X-ray spectroscopy (ESEM-EDX and X-ray Diffraction analyses (XRD were also carried out to analyze salt behavior. Damage by flaking took place in two types of magnesian limestone cubes impregnated with the salt mixture, from Cadeby quarry and York Minster, apparently by deliquescent salts of low equilibrium relative humidity (RHeq, while the rest of the samples developed a salt crust over the surface, but no damage was observed in the stone. It is important to verify hypotheses developed from field observations with laboratory experiments. By combining both field and laboratory data, a clearer understanding the different mechanisms of

  10. Synthesis, crystal structure and electrochemical properties of the manganese-doped LiNaFe[PO{sub 4}]F materials

    Energy Technology Data Exchange (ETDEWEB)

    Ben Yahia, Hamdi, E-mail: benyahia.hamdi@aist.go.jp; Shikano, Masahiro, E-mail: shikano.masahiro@aist.go.jp; Sakaebe, Hikari; Kobayashi, Hironori

    2013-08-15

    The new compounds LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F (x ≤ 1/4) were synthesized by a solid state reaction route. The crystal structure of LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F was determined from single crystal X-ray diffraction data. LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F crystallizes with the Li{sub 2}Ni[PO{sub 4}]F-type structure, space group Pnma, a = 10.9719(13), b = 6.3528(7), c = 11.4532(13) Å, V = 798.31(16) Å{sup 3}, and Z = 8. The structure consists of edge-sharing (Fe{sub 3/4}Mn{sub 1/4})O{sub 4}F{sub 2} octahedra forming (Fe{sub 3/4}Mn{sub 1/4})FO{sub 3} chains running along the b-axis. These chains are interlinked by PO{sub 4} tetrahedra forming a three-dimensional framework with the tunnels and the cavities filled by the well-ordered sodium and lithium atoms, respectively. The manganese-doped phases show poor electrochemical behavior comparing to the iron pure phase LiNaFe[PO{sub 4}]F. - Highlights: • We investigated the synthesis of LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F by solid state reaction. • We demonstrated that a solid solution exist only for x ≤ 1/4. • We solved the crystal structure of LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F using single crystal data. • We studied the electrochemical performances of LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F. • The Mn-doped phases have poor electrochemical performances comparing to LiNaFe[PO{sub 4}]F.

  11. Experimental and theoretical investigation of Cr1-xScxN solid solutions for thermoelectrics

    DEFF Research Database (Denmark)

    Kerdsongpanya, Sit; Sun, Bo; Eriksson, Fredrik

    2016-01-01

    The ScN- and CrN-based transition-metal nitrides have recently emerged as a novel and unexpected class of materials for thermoelectrics. These materials constitute well-defined model systems for investigating mixing thermodynamics, phase stability, and band structure aiming for property tailoring......-factor improvement by Sc3d orbital delocalization on Cr3d electrons giving decreasing electrical resistivity, while localized Cr3d orbitals with a large DOS slope may yield an improved Seebeck coefficient. Sc-rich solid solutions show a large improvement in power factor compared to pure ScN, and all films have power...

  12. Early Stages of Precipitation Process in Al-(Mn-)Sc-Zr Alloy Characterized by Positron Annihilation

    KAUST Repository

    Vlach, Martin; Cizek, Jakub; Melikhova, Oksana; Stulikova, Ivana; Smola, Bohumil; Kekule, Tomas; Kudrnova, Hana; Gemma, Ryota; Neubert, Volkmar

    2015-01-01

    Thermal effects on the precipitation stages in as-cast Al-0.70 at. pct Mn-0.15 at. pct Sc-0.05 at. pct Zr alloy were studied. The role of lattice defects was elucidated by positron annihilation spectroscopy (lifetime and coincidence Doppler broadening) enabling investigation of solutes clustering at the atomic scale. This technique has never been used in the Al-Sc- and/or Al-Zr-based alloys so far. Studies by positron annihilation were combined with resistometry, hardness measurements, and microstructure observations. Positrons trapped at defects are preferentially annihilated by Sc electrons. Lifetime of trapped positrons indicates that Sc atoms segregate at dislocations. Maximum fraction of positrons annihilated by Sc electrons occurring at 453 K (180 °C) suggests that clustering of Sc bound with vacancies takes place. It is followed by peak of this fraction at 573 K (300 °C). A rise of the contribution of trapped positrons annihilated by Zr electrons starting at 513 K (240 °C) and attaining maximum also at 573 K (300 °C) confirms that Zr participates in precipitation of the Al3Sc particles already at these temperatures. The pronounced hardening at 573 K (300 °C) has its nature in the precipitation of the Al3Sc particles with a Zr-rich shell. The contribution of trapped positrons annihilated by Mn electrons was found to be negligible. © 2015, The Minerals, Metals & Materials Society and ASM International.

  13. Early Stages of Precipitation Process in Al-(Mn-)Sc-Zr Alloy Characterized by Positron Annihilation

    KAUST Repository

    Vlach, Martin

    2015-01-29

    Thermal effects on the precipitation stages in as-cast Al-0.70 at. pct Mn-0.15 at. pct Sc-0.05 at. pct Zr alloy were studied. The role of lattice defects was elucidated by positron annihilation spectroscopy (lifetime and coincidence Doppler broadening) enabling investigation of solutes clustering at the atomic scale. This technique has never been used in the Al-Sc- and/or Al-Zr-based alloys so far. Studies by positron annihilation were combined with resistometry, hardness measurements, and microstructure observations. Positrons trapped at defects are preferentially annihilated by Sc electrons. Lifetime of trapped positrons indicates that Sc atoms segregate at dislocations. Maximum fraction of positrons annihilated by Sc electrons occurring at 453 K (180 °C) suggests that clustering of Sc bound with vacancies takes place. It is followed by peak of this fraction at 573 K (300 °C). A rise of the contribution of trapped positrons annihilated by Zr electrons starting at 513 K (240 °C) and attaining maximum also at 573 K (300 °C) confirms that Zr participates in precipitation of the Al3Sc particles already at these temperatures. The pronounced hardening at 573 K (300 °C) has its nature in the precipitation of the Al3Sc particles with a Zr-rich shell. The contribution of trapped positrons annihilated by Mn electrons was found to be negligible. © 2015, The Minerals, Metals & Materials Society and ASM International.

  14. Multiphase nanodomains in a strained BaTiO3 film on a GdScO3 substrate

    Science.gov (United States)

    Kobayashi, Shunsuke; Inoue, Kazutoshi; Kato, Takeharu; Ikuhara, Yuichi; Yamamoto, Takahisa

    2018-02-01

    Controlling the crystal structure of ferroelectric materials via epitaxial strain, which is a well-known technique in strain engineering, can lead to the formation of unique domain structures generating non-intrinsic phenomena such as electronic conductivity, photovoltages, and enhanced piezoelectric characteristics. Strained BaTiO3 films are promising ferroelectric materials as theoretical modeling predicts that different domain morphologies can introduce additional properties not observed in conventional BaTiO3 ceramics. To rationally design materials for practical application, a thorough understanding of the formation mechanisms and stabilities of different domain structures in strained BaTiO3 films is required. However, there have been very few experimental reports on this topic, and details about the domain structures in strained BaTiO3 films are currently lacking. In this paper, we report multiphase nanodomains in a strained BaTiO3 film deposited on an orthorhombic GdScO3 substrate. The phase-transition behavior of the strained BaTiO3 film reveals that it contains multiple phases at room temperature; the film first undergoes a phase-transition upon heating at around 550 K, and then a paraelectric phase forms at temperatures above 690 K. A picometer-scale analysis of the Ti ion displacements, using an advanced scanning transmission electron microscopy technique, is used to characterize the complex multiphase nanodomains, providing useful insights into the control of domain structures in BaTiO3 films by applying epitaxial strain.

  15. The effect of Sc additions on the microstructure and age hardening behaviour of as cast Al–Sc alloys

    International Nuclear Information System (INIS)

    Costa, S.; Puga, H.; Barbosa, J.; Pinto, A.M.P.

    2012-01-01

    Highlights: ► The Sc effect on the microstructure and ageing behaviour of Al–Sc alloys is studied. ► Cast into copper mould allows the elimination of solution heat treatment. ► Directly aged as cast alloys exhibits higher hardness and precipitation kinetics. ► Sc addition and optimised ageing result in an increase in Al–Sc mechanical properties. -- Abstract: The grain refinement effect and the ageing behaviour of Al–0.5 wt.% Sc, Al–0.7 wt.% Sc, and Al–1 wt.% Sc alloys are studied on the basis of optic microscopy (OM), scanning electron microscopy (SEM), X-ray diffraction (XRD) observations and hardness measurements. In Al–Sc alloys the higher grain refinement is observed for Sc contents greater than 0.5 wt.% accompanied by a notorious morphology modification, from coarse columnar grains to a fine perfect equiaxed structure. The as cast structures are characterised by a rich supersaturated solid solution in Sc, that promotes a great age hardening response at 250 °C and 300 °C. The age hardening curves also demonstrate a low overageing kinetics for all the alloys. Although the higher Sc content in solid solution for the alloys with 0.7 and 1 wt.% Sc, the age hardening response of all the Al–Sc alloys remains similar. The direct age hardening response of the as cast Al–0.5 wt.% Sc is shown to be greater than the solutionised and age hardened alloy.

  16. CORRELATION BETWEEN SEED TESTS AND FIELD EMERGENCE OF TWO MAIZE HYBRIDS (SC704 AND SC500)

    OpenAIRE

    A.A. ALILOO; B. SHOKATI

    2011-01-01

    Early emergence and stand establishment of maize (Zea mays L.) are considered to be the most important yield-contributing factors. The influence of seed vigor on these factors is vital. Therefore, five laboratory tests and field experiment were conducted on basis of a randomized complete block design (RCBD) with five replications in 2011, to evaluate the correlation among the seed vigor tests and field emergence of two maize hybrids (SC704 and SC500). In laboratory tests, differences between ...

  17. Three-dimensional Random Voronoi Tessellations: From Cubic Crystal Lattices to Poisson Point Processes

    OpenAIRE

    Lucarini, Valerio

    2008-01-01

    We perturb the SC, BCC, and FCC crystal structures with a spatial Gaussian noise whose adimensional strength is controlled by the parameter a, and analyze the topological and metrical properties of the resulting Voronoi Tessellations (VT). The topological properties of the VT of the SC and FCC crystals are unstable with respect to the introduction of noise, because the corresponding polyhedra are geometrically degenerate, whereas the tessellation of the BCC crystal is topologically stable eve...

  18. Identifying Structure-Property Relationships Through DREAM.3D Representative Volume Elements and DAMASK Crystal Plasticity Simulations: An Integrated Computational Materials Engineering Approach

    Science.gov (United States)

    Diehl, Martin; Groeber, Michael; Haase, Christian; Molodov, Dmitri A.; Roters, Franz; Raabe, Dierk

    2017-05-01

    Predicting, understanding, and controlling the mechanical behavior is the most important task when designing structural materials. Modern alloy systems—in which multiple deformation mechanisms, phases, and defects are introduced to overcome the inverse strength-ductility relationship—give raise to multiple possibilities for modifying the deformation behavior, rendering traditional, exclusively experimentally-based alloy development workflows inappropriate. For fast and efficient alloy design, it is therefore desirable to predict the mechanical performance of candidate alloys by simulation studies to replace time- and resource-consuming mechanical tests. Simulation tools suitable for this task need to correctly predict the mechanical behavior in dependence of alloy composition, microstructure, texture, phase fractions, and processing history. Here, an integrated computational materials engineering approach based on the open source software packages DREAM.3D and DAMASK (Düsseldorf Advanced Materials Simulation Kit) that enables such virtual material development is presented. More specific, our approach consists of the following three steps: (1) acquire statistical quantities that describe a microstructure, (2) build a representative volume element based on these quantities employing DREAM.3D, and (3) evaluate the representative volume using a predictive crystal plasticity material model provided by DAMASK. Exemplarily, these steps are here conducted for a high-manganese steel.

  19. Dual-Emission SG7@MOF Sensor via SC-SC Transformation: Enhancing the Formation of Excimer Emission and the Range and Sensitivity of Detection.

    Science.gov (United States)

    Fu, Hong-Ru; Wu, Xiao-Xia; Ma, Lu-Fang; Wang, Fei; Zhang, Jian

    2018-05-30

    In this study, a water stable metal-organic framework FIR-53 is applied as a single-crystal container for anion exchange. The exceptional chemical stability and low crystallographic symmetry of FIR-53 makes it possible to determine anionic guests. Through ion exchange and single-crystal to single-crystal (SC-SC) transformation, 8-hydroxypyrene-1,3,6-trisulfonate (SG7, solvent green 7, ion form as SG7 3- ) is introduced into the pores of FIR-53 to obtain SG7@FIR-53. Because of the spatial confinement and partition effect, SG7@FIR-53 shows the bright exciter emission of SG7 ions. Interestingly, the composite SG7@FIR-53 exhibits a sensitive fluorescence quenching response against Cr 2 O 7 2- and MnO 4 - in aqueous solution. Especially, the detection limit toward MnO 4 - is as low as 0.12 ppb, which is the smallest value to date. Moreover, the prepared SG7@FIR-53 film also displays a broad response to nitro explosives in vapor/aqueous phase. Compared with the results of FIR-53, the range and sensitivity were greatly improved.

  20. Effect of a Polymercaptan Material on the Electro-Optical Properties of Polymer-Dispersed Liquid Crystal Films.

    Science.gov (United States)

    Sun, Yujian; Zhang, Cuihong; Zhou, Le; Fang, Hua; Huang, Jianhua; Ma, Haipeng; Zhang, Yi; Yang, Jie; Zhang, Lan-Ying; Song, Ping; Gao, Yanzi; Xiao, Jiumei; Li, Fasheng; Li, Kexuan

    2016-12-30

    Polymer-dispersed liquid crystal (PDLC) films were prepared by the ultraviolet-light-induced polymerization of photopolymerizable monomers in nematic liquid crystal/chiral dopant/thiol-acrylate reaction monomer composites. The effects of the chiral dopant and crosslinking agents on the electro-optical properties of the PDLC films were systematically investigate. While added the chiral dopant S811 into the PDLC films, the initial off-state transmittance of the films was decreased. It was found that the weight ratio among acrylate monomers, thiol monomer PETMP and the polymercaptan Capcure 3-800 showed great influence on the properties of the fabricated PDLC films because of the existence of competition between thiol-acrylate reaction and acrylate monomer polymerization reaction. While adding polymercaptans curing agent Capcure 3-800 with appropriate concentration into the PDLC system, lower driven voltage and higher contrast ratio were achieved. This made the polymer network and electro-optical properties of the PDLC films easily tunable by the introduction of the thiol monomers.

  1. Effect of a Polymercaptan Material on the Electro-Optical Properties of Polymer-Dispersed Liquid Crystal Films

    Directory of Open Access Journals (Sweden)

    Yujian Sun

    2016-12-01

    Full Text Available Polymer-dispersed liquid crystal (PDLC films were prepared by the ultraviolet-light-induced polymerization of photopolymerizable monomers in nematic liquid crystal/chiral dopant/thiol-acrylate reaction monomer composites. The effects of the chiral dopant and crosslinking agents on the electro-optical properties of the PDLC films were systematically investigate. While added the chiral dopant S811 into the PDLC films, the initial off-state transmittance of the films was decreased. It was found that the weight ratio among acrylate monomers, thiol monomer PETMP and the polymercaptan Capcure 3-800 showed great influence on the properties of the fabricated PDLC films because of the existence of competition between thiol-acrylate reaction and acrylate monomer polymerization reaction. While adding polymercaptans curing agent Capcure 3-800 with appropriate concentration into the PDLC system, lower driven voltage and higher contrast ratio were achieved. This made the polymer network and electro-optical properties of the PDLC films easily tunable by the introduction of the thiol monomers.

  2. Magnetophotonic crystals

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-04-21

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

  3. Magnetophotonic crystals

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  4. Gamma radiation of quartz from Entre Rios (SC) and QuaraÍ (RS)

    International Nuclear Information System (INIS)

    Enokihara, Cyro T.; Rela, Paulo R.; Schultz-Güttler, Rainer A.

    2017-01-01

    The availability of gamma ray irradiators in Brazil increased the possibilities of treatments of gemstones for color enhancements. One of the minerals with a very high potential of these treatments is quartz, a very widespread mineral with many colored commercial varieties. A specific variety of quartz showing a green color in nature or induced artificially by radiation gamma ( 60 Co) is quite rare. In Brazil the widely scattered geode occurrences along a 600 km stretch from Quaraí at Brazil southernmost tip to Uberlandia in Minas Gerais is one of these. Quartz from these occurrences have been formed by strong hydrothermal activities. That way much quartz crystals showed a very fast growth history facilitating the formation of growth defects and the uptake of water in form of micro inclusions, molecular water, silanol (Si-OH) and OH. In the present work the material analyzed is from hydrothermal regimes located near the towns Entre Rios (SC) and Quaraí (RS). To characterize these materials analyses have been made by ICP, NAA, electron microscopy, water loss techniques and UV-VIS and NIR-FTIR spectroscopic measurements. Silanol complexes are found, which by radiation due to gamma rays form the color center NBOHC (Non-Bonding Oxygen Hole Center), showing absorption between 590 to 620 nm and leaving a transmission window at about 550nm, responsible for the green color. The spectroscopic water determination showed less molecular water (up to 2300 ppm by weight), probably due to remaining silanol complexes.The water content with up to 3200 ppm by weight exceeds the amount of charge balancing cations (Fe, Al, Li). (author)

  5. Gamma radiation of quartz from Entre Rios (SC) and QuaraÍ (RS)

    Energy Technology Data Exchange (ETDEWEB)

    Enokihara, Cyro T.; Rela, Paulo R., E-mail: cteiti@ipen.br, E-mail: prela06@yahoo.com.br [Instituto de Pesquisas Energéticas e Nucleares (IPEN/CNEN-SP), São Paulo, SP (Brazil); Schultz-Güttler, Rainer A., E-mail: rainersgut@gmail.com [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Instituto de Geociências

    2017-07-01

    The availability of gamma ray irradiators in Brazil increased the possibilities of treatments of gemstones for color enhancements. One of the minerals with a very high potential of these treatments is quartz, a very widespread mineral with many colored commercial varieties. A specific variety of quartz showing a green color in nature or induced artificially by radiation gamma ({sup 60}Co) is quite rare. In Brazil the widely scattered geode occurrences along a 600 km stretch from Quaraí at Brazil southernmost tip to Uberlandia in Minas Gerais is one of these. Quartz from these occurrences have been formed by strong hydrothermal activities. That way much quartz crystals showed a very fast growth history facilitating the formation of growth defects and the uptake of water in form of micro inclusions, molecular water, silanol (Si-OH) and OH. In the present work the material analyzed is from hydrothermal regimes located near the towns Entre Rios (SC) and Quaraí (RS). To characterize these materials analyses have been made by ICP, NAA, electron microscopy, water loss techniques and UV-VIS and NIR-FTIR spectroscopic measurements. Silanol complexes are found, which by radiation due to gamma rays form the color center NBOHC (Non-Bonding Oxygen Hole Center), showing absorption between 590 to 620 nm and leaving a transmission window at about 550nm, responsible for the green color. The spectroscopic water determination showed less molecular water (up to 2300 ppm by weight), probably due to remaining silanol complexes.The water content with up to 3200 ppm by weight exceeds the amount of charge balancing cations (Fe, Al, Li). (author)

  6. Comparative study of Tm-doped and Tm-Sc co-doped Lu3Al5O12 scintillator

    International Nuclear Information System (INIS)

    Sugiyama, Makoto; Yanagida, Takayuki; Fujimoto, Yutaka

    2014-01-01

    The crystals of Tm doped and Tm-Sc co-doped Lu 3 Al 5 O 12 (LuAG) grown by the floating zone (FZ) method were examined for their optical and scintillation properties. In transmittance spectra, strong absorption lines due to Tm 3+ 4f–4f transitions were observed. X-ray excited radioluminescence spectra were measured and broad and sharp emission peaks were detected. The former one was attributed to Sc 3+ and the latter one was due to Tm 3+ 4f–4f transitions. Scintillation yield enhancement due to Sc co-doping was observed by means of 137 Cs pulse height spectra. Scintillation decay times were several tens of μs under pulse X-ray excitation. - Highlights: • LuAG:Tm and LuAG:Tm, Sc single crystals have been grown by the FZ method. • Tm 3+ 4f–4f absorption has been observed in transmittance spectra. • Scintillation yield of Tm-doped LuAG has been enhanced by Sc co-doping

  7. Hemoglobin C, S-C, and E Diseases

    Science.gov (United States)

    ... quickly than others, resulting in chronic anemia. Hemoglobin C disease Hemoglobin C disease occurs mostly in blacks. ... a common complication of hemoglobin C disease. Hemoglobin S-C disease Hemoglobin S-C disease occurs in people who ...

  8. Design of SC solenoid with high homogeneity

    International Nuclear Information System (INIS)

    Yang Xiaoliang; Liu Zhong; Luo Min; Luo Guangyao; Kang Qiang; Tan Jie; Wu Wei

    2014-01-01

    A novel kind of SC (superconducting) solenoid coil is designed to satisfy the homogeneity requirement of the magnetic field. In this paper, we first calculate the current density distribution of the solenoid coil section through the linear programming method. Then a traditional solenoid and a nonrectangular section solenoid are designed to produce a central field up to 7 T with a homogeneity to the greatest extent. After comparison of the two solenoid coils designed in magnet field quality, fabrication cost and other aspects, the new design of the nonrectangular section of a solenoid coil can be realized through improving the techniques of framework fabrication and winding. Finally, the outlook and error analysis of this kind of SC magnet coil are also discussed briefly. (authors)

  9. LHCb Data Replication During SC3

    CERN Multimedia

    Smith, A

    2006-01-01

    LHCb's participation in LCG's Service Challenge 3 involves testing the bulk data transfer infrastructure developed to allow high bandwidth distribution of data across the grid in accordance with the computing model. To enable reliable bulk replication of data, LHCb's DIRAC system has been integrated with gLite's File Transfer Service middleware component to make use of dedicated network links between LHCb computing centres. DIRAC's Data Management tools previously allowed the replication, registration and deletion of files on the grid. For SC3 supplementary functionality has been added to allow bulk replication of data (using FTS) and efficient mass registration to the LFC replica catalog.Provisional performance results have shown that the system developed can meet the expected data replication rate required by the computing model in 2007. This paper details the experience and results of integration and utilisation of DIRAC with the SC3 transfer machinery.

  10. SC*994C>T causes the Sc(null) phenotype in Pacific Islanders and successful transfusion of Sc3+ blood to a patient with anti-Sc3.

    Science.gov (United States)

    Reid, Marion E; Hue-Roye, Kim; Velliquette, Randall W; Larimore, Kathleen; Moscarelli, Sue; Ohswaldt, Nicolas; Lomas-Francis, Christine

    2013-01-01

    Antigens in the SC blood group system are expressed by the human erythrocyte membrane-associated protein (ERMAP).Two molecular bases have been reported for the Sc,un phenotype:SC*307del2 and SC*994C>T. We report our investigation of the molecular background of five Sc,n1 individuals from the Pacific Islands and describe the successful transfusion of Sc3+ blood to a patient with anti-Sc3 in her plasma. SC (ERMAP) exons 2,3, and 12 and their flanking intronic regions were analyzed. TheSC*994C>T change introduces a restriction enzyme cleavage site for Tsp45I, and polymerase chain reaction (PCR) products from exon 12 were subjected to this PCR-restriction fragment length polymorphism (RFLP) assay. The five samples had the variant SC*994T/T. One sample, from a first cousin of one Marshallese proband, was heterozygous for SC*1514C/T (in the 3' untranslated region); the other four samples were SC*1514C/C(consensus sequence). Samples from white donors (n = 100) and African American donors (n = 99) were tested using the Tsp45IPCR-RFLP assay; all gave a banding pattern that was consistent with the SC*994C/C consensus sequence. In all five samples,our analyses showed homozygosity for the nonsense nucleotide change SC*994C>Tin an allele carrying the nucleotide associated with SLd. Further investigation determined that one of the probands reported previously with the SC*994C>T change was from the Marshall Islands (which form part of the Micronesian Pacific Islands) and the other was from an unspecified location within the large collection of Pacific Islands. Taken together, the five known probands with the SC*994C>T silencing nucleotide change were from the Pacific Islands.

  11. The SC gets ready for visitors

    CERN Multimedia

    Antonella Del Rosso

    2012-01-01

    Hall 300, which houses the Synchrocyclotron (SC), CERN’s first accelerator, is getting ready to host a brand-new exhibition. The site will be one of the stops on the new visit itineraries that will be inaugurated for the 2013 CERN Open Day.   The Synchrocyclotron through the years. Just as it did in the late 1950s, when the accelerator was first installed, the gigantic red structure of the Synchrocyclotron's magnet occupies a large part of the 300-square-metre hall. “We have completed the first phase of the project that will give the SC a new lease of life,” says Marco Silari, the project leader and a member of CERN’s Radiation Protection Group. “We have removed all the equipment that was not an integral part of the accelerator. The hall is now ready for the civil-engineering work that will precede the installation of the exhibition.” The SC was witness to a big part of the history of CERN. The accelerator produced ...

  12. Structure and hydrogen storage properties of the hexagonal Laves phase Sc(Al{sub 1-x}Ni{sub x}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Sahlberg, Martin, E-mail: Martin.sahlberg@kemi.uu.se [Department of Chemistry, The Angstroem Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden); Angstroem, Jonas, E-mail: jonas.angstrom@kemi.uu.se [Department of Chemistry, The Angstroem Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden); Zlotea, Claudia, E-mail: claudia.zlotea@icmpe.cnrs.fr [Chimie Metallurgique des Terres Rares, Institut de Chimie et des Materiaux de Paris Est, UMR 7182, CNRS, 2-8 rue Henri Dunant, 94320 Thiais Cedex (France); Beran, Premysl, E-mail: pberan@ujf.cas.cz [Nuclear Physics Institute, Academy of Sciences of the Czech Republic, 25068 Rez (Czech Republic); Latroche, Michel, E-mail: michel.latroche@glvt-cnrs.fr [Chimie Metallurgique des Terres Rares, Institut de Chimie et des Materiaux de Paris Est, UMR 7182, CNRS, 2-8 rue Henri Dunant, 94320 Thiais Cedex (France); Pay Gomez, Cesar, E-mail: Cesar.paygomez@kemi.uu.se [Department of Chemistry, The Angstroem Laboratory, Uppsala University, Box 538, SE-751 21 Uppsala (Sweden)

    2012-12-15

    The crystal structures of hydrogenated and unhydrogenated Sc(Al{sub 1-x}Ni{sub x}){sub 2} Laves phases have been studied by combining several diffraction techniques and it is shown that hydrogen is situated interstitially in the A{sub 2}B{sub 2}-sites, which have the maximum number of scandium neighbours. The hydrogen absorption/desorption behaviour has also been investigated. It is shown that a solid solution of hydrogen forms in the mother compound. The hydrogen storage capacity exceeds 1.7 H/f.u. at 374 K, and the activation energy of hydrogen desorption was determined to 4.6 kJ/mol H{sub 2}. It is shown that these compounds share the same local coordination as Frank-Kasper-type approximants and quasicrystals, which opens up the possibility of finding many new hydride phases with these types of crystal structures. - Graphical abstract: The structure of ScNiAlDx, Sc atoms are shown in purple and Ni/Al atoms in blue and the iso-surfaces of deuterium in yellow. Revealed from refinements of neutron powder diffraction data. Highlights: Black-Right-Pointing-Pointer The crystal structure of ScNiAl and ScNiAlDx is reported. Black-Right-Pointing-Pointer We show the hydrogen storage properties of Sc(Al{sub 1-x}Ni{sub x}){sub 2}. Black-Right-Pointing-Pointer We discuss the possibility to store hydrogen in quasicrystals.

  13. Sc2C2@D3h(14246)-C74: A Missing Piece of the Clusterfullerene Puzzle.

    Science.gov (United States)

    Wang, Yaofeng; Tang, Qiangqiang; Feng, Lai; Chen, Ning

    2017-02-20

    Clusterfullerenes with variable carbon cages have been extensively studied in recent years. However, despite all these efforts, C 74 cage-based clusterfullerene remains a missing piece of the puzzle. Herein, we show that single-crystal X-ray crystallographic analysis unambiguously assigns the previously reported dimetallofullerene Sc 2 @C 76 to a novel carbide clusterfullerene, Sc 2 C 2 @D 3h (14246)-C 74 , the first experimentally proven clusterfullerene with a C 74 cage. In addition, Sc 2 C 2 @D 3h (14246)-C 74 was charaterized by mass spectrometry, ultraviolet-visible-near-infrared absorption spectroscopy, 45 Sc nuclear magnetic resonance, and cyclic voltammetry. Comparative studies of the motion of the carbide cluster in Sc 2 C 2 @D 3h (14246)-C 74 and Sc 2 C 2 @C 2n (n = 40-44) revealed that a combination of factors, involving both the shape and size of the cage, is crucial in dictating the cluster motion. Moreover, structural studies of D 3h (14246)-C 74 revealed that it can be easily converted to C s (10528)-C 72 and T d (19151)-C 76 cages via C 2 desertion/insertion and Stone-Wales transformation. This suggests that D 3h (14246)-C 74 might play an important role in the growth pathway of clusterfullerenes.

  14. PEMODELAN KONDUKTIVITAS ION DALAM STRUKTUR Li2Sc3(PO43 (Modeling Ionic Conductivity in Li2Sc3(PO43 Structure

    Directory of Open Access Journals (Sweden)

    Akram La Kilo

    2011-11-01

    Full Text Available ABSTRAK Fasa Li2Sc3(PO43 merupakan material konduktor superionik yang dapat diaplikasikan sebagai baterai yang dapat diisi ulang (rechargeable. Ion Li+ dalam struktur Li2Sc3(PO4 dapat mengalami migrasi dari posisi terisi ke posisi kosong. Penelitian ini telah memodelkan migrasi ion Li+ dalam struktur Li2Sc3(PO4 dengan menggunakan metode bond valence sum (BVS. Metode ini dapat memprediksi bilangan oksidasi suatu atom berdasarkan jarak dengan atom-atom tetangga. Source code berbasis BVS yang digunakan adalah JUMPITER yang mensimulasi efek gaya listrik eksternal yang bertindak pada ion litium sehingga nilai BVS litium dapat dipetakan terhadap jarak. Hasil simulasi menunjukkan bahwa konduksi ion Li+ dapat terjadi pada arah [010], [101], dan [120]. Namun, lintasan konduksi ion Li+ lebih mudah terjadi pada arah [120] atau bidang ab dengan nilai maksimum BVS adalah 0,982. ABSTRACT g-phase of Li2Sc3(PO43 is a lithium super ionic conductor which can be applied as a rechargeable lithium battery. Lithium ions of g-Li2Sc3(PO43 can migrate from occupied site to vacant site. In this research, simulation of Li+ ions migration in the structure of g-Li2Sc3(PO43 carried out using bond valence sum (BVS to predict the oxidation state of Li+ion based on the distance of the ion to neighboring atoms. BVS-based code used JUMPITER to simulate the effect of external electrical force acting on the lithium ions to produce the lithium BVS value which can be mapped to the distance. The simulation results shows that Li+ ion conduction can be occurred on [010], [101], and [120] directions. However, the Li ion conduction pathway occur more easily in the direction of [120] or ab plane with the BVS maximum value is 0.982.

  15. Influence of the microstructure of a diamond-containing composite material on the tool cutting ability when grinding a diamond single crystal

    Directory of Open Access Journals (Sweden)

    A.M. Kuzei

    2017-12-01

    Full Text Available Using the methods of electronic scanning microstructure and X-ray analysis, the influence of the structure of diamond-containing composite materials on the cutting ability of the tool for circular grinding of diamond single crystals has been studied. It is shown that the use of an oxide-hydroxide glass with a spreading temperature of 570–590 K as a precursor of the binder leads to the formation of melt films on the surface of silicon carbide and diamond particles at 600–630 K and the glass content in the batch is 10 vol. %. The conversion of oxidehydroxide glass films to oxide films proceeds at 700–775 K during the sintering of the composite material. Depending on the volume content of the glass in the charge, the porosity of the compact, three types of structure of composite materials are distinguished: a volumetric skeleton of glass-clad diamond particles and silicon carbide with pores at the sites of multiple compounds; a frame made of glass-clad diamond particles and silicon carbide with glass pores in places of multiple connections; a matrix of glass and the particles of diamond, silicon carbide and pores located in it. The maximum cutting ability of the tool for circular grinding of diamond is provided by a composite material with a structure of the first type.

  16. The right circular polarized waves in the three-dimensional anisotropic dispersive photonic crystals consisting of the magnetized plasma and uniaxial material as the Faraday effects considered

    International Nuclear Information System (INIS)

    Zhang, Hai-Feng; Liu, Shao-Bin; Tang, Yi-Jun; Zhen, Jian-Ping

    2014-01-01

    In this paper, the properties of the right circular polarized (RCP) waves in the three-dimensional (3D) dispersive photonic crystals (PCs) consisting of the magnetized plasma and uniaxial material with face-centered-cubic (fcc) lattices are theoretically investigated by the plane wave expansion method, which the homogeneous anisotropic dielectric spheres (the uniaxial material) immersed in the magnetized plasma background, as the Faraday effects of magnetized plasma are considered (the incidence electromagnetic wave vector is parallel to the external magnetic field at any time). The equations for calculating the anisotropic photonic band gaps (PBGs) for the RCP waves in the first irreducible Brillouin zone are theoretically deduced. The anisotropic PBGs and a flatbands region can be obtained. The effects of the ordinary-refractive index, extraordinary-refractive index, anisotropic dielectric filling factor, plasma frequency, and plasma cyclotron frequency (the external magnetic field) on the properties of first two anisotropic PBGs for the RCP waves are investigated in detail, respectively. The numerical results show that the anisotropy can open partial band gaps in fcc lattices at U and W points, and the complete PBGs for the RCP waves can be achieved compared to the conventional 3D dispersive PCs composed of the magnetized plasma and isotropic material. It is also shown that the first two anisotropic PBGs can be tuned by those parameters as mentioned above. Those PBGs can be enlarged by introducing the uniaxial material into such 3D PCs as the Faraday effects are considered

  17. Facile construction of dual bandgap optical encoding materials with PS@P(HEMA-co-AA)/SiO2-TMPTA colloidal photonic crystals

    Science.gov (United States)

    Tian, Yu; Zhang, Jing; Liu, Si-Si; Yang, Shengyang; Yin, Su-Na; Wang, Cai-Feng; Chen, Li; Chen, Su

    2016-07-01

    An operable strategy for the construction of dual-reflex optical code materials from bilayer or Janus-structure colloidal photonic crystals (CPCs) has been established in this work. In this process, monodispersed submicrometer polystryene@poly(2-hydroxyethyl methacrylate-co-acrylic acid) hydrogel microspheres with soft-shell/hard-core structure and monodispersed colloidal silica spheres were fabricated. These two kinds of colloidal units can be facilely integrated into a single material without optical signal interference because they are well isolated for the immiscibility between water and ethoxylated trimethylolpropane triacrylate (TMPTA) and the upper layer of SiO2-TMPTA is a kind of transparent. Moreover, diverse optical code series with different dual photonic bandgaps can be obtained via tuning the colloid sizes. Compared to the conventional single-reflex CPCs, the as-prepared dual-reflex optical code materials represented high information capacity in encoding process. More interesting, delicate code pattern has been also achieved on the optical film via the silk-screen printing technique, which will greatly extend the dual-reflex optical code materials to practical uses in areas containing bio-encoding, anti-counterfeiting, and flexible displays.

  18. Determination of Sc and Th in ScI3-NaI-ThI4 sample

    International Nuclear Information System (INIS)

    Yuan Hui; Yang Zhihong

    1999-01-01

    Determination of Sc and Th in ScI 3 -NaI-ThI 4 sample is studied by X-ray fluorescence and complexometry. The effect of working condition of Sc on X-ray fluorescence spectrometer and different sample-making method on the determination of Sc and Th are studied experimentally. The X-ray fluorescence analysis of determination of Sc and Th is developed by polyester film sample-making technique, the measuring precision of Sc and Th is better than 4%. The effect of acidity and temperature on the determining end point of titration is obvious. The results of different complexometric methods are compared. The precision of Sc and Th is less than 2% by comlexometry, it is fit for the routine analysis of ScI 3 -NaI-ThI 4 sample

  19. Pt Skin Versus Pt Skeleton Structures of Pt3Sc as Electrocatalysts for Oxygen Reduction

    DEFF Research Database (Denmark)

    Johansson, Tobias Peter; Ulrikkeholm, Elisabeth Therese; Hernandez-Fernandez, Patricia

    2014-01-01

    . The development of new materials for this reaction is essential in order to increase the overall effeciency of the fuel cell. Herein, we study the effect of ultra high vacuum annealing on the structure and activity of polycrystalline Pt3Sc. Upon annealing in ultra high vacuum a Pt overlayer is formed......, relative to Pt(111), consistent with the CO adsorption energies calculated using density functional theory calculations. Exposing the annealed Pt3Sc sample to 200 mbar O2 at room temperature results in similar to 14 % Sc oxide as measured by X-ray photoelectron spectroscopy. Electrochemical testing...

  20. Crystallization inhibitors for amorphous oxides

    International Nuclear Information System (INIS)

    Reznitskij, L.A.; Filippova, S.E.

    1993-01-01

    Data for the last 10 years, in which experimental results of studying the temperature stabilization of x-ray amorphous oxides (including R 3 Fe 5 O 12 R-rare earths, ZrO 2 , In 2 O 3 , Sc 2 O 3 ) and their solid solution are presented, are generalized. Processes of amorphous oxide crystallization with the production of simple oxides, solid solutions and chemical compounds with different polyhedral structure, are investigated. Energy and crystallochemical criteria for selecting the doping inhibitor-components stabilizing the amorphous state are ascertained, temperatures and enthalpies of amorpous oxide crystallization are determined, examination of certain provisions of iso,orphous miscibility theory is conducted

  1. Advances in nonlinear polymers and inorganic crystals, liquid crystals, and laser media

    International Nuclear Information System (INIS)

    Musikant, S.

    1987-01-01

    These proceedings collect papers on laser materials. Topics include: solid state lasers, fracture mechanics in laser materials, optical second harmonic generation, nonlinear optics, molecular crystals, crystal-phase transformation, and materials for laser fusion reactors

  2. CuLi2Sn and Cu2LiSn: Characterization by single crystal XRD and structural discussion towards new anode materials for Li-ion batteries.

    Science.gov (United States)

    Fürtauer, Siegfried; Effenberger, Herta S; Flandorfer, Hans

    2014-12-01

    The stannides CuLi 2 Sn (CSD-427095) and Cu 2 LiSn (CSD-427096) were synthesized by induction melting of the pure elements and annealing at 400 °C. The phases were reinvestigated by X-ray powder and single-crystal X-ray diffractometry. Within both crystal structures the ordered CuSn and Cu 2 Sn lattices form channels which host Cu and Li atoms at partly mixed occupied positions exhibiting extensive vacancies. For CuLi 2 Sn, the space group F-43m. was verified (structure type CuHg 2 Ti; a =6.295(2) Å; wR 2 ( F ²)=0.0355 for 78 unique reflections). The 4( c ) and 4( d ) positions are occupied by Cu atoms and Cu+Li atoms, respectively. For Cu 2 LiSn, the space group P 6 3 / mmc was confirmed (structure type InPt 2 Gd; a =4.3022(15) Å, c =7.618(3) Å; wR 2 ( F ²)=0.060 for 199 unique reflections). The Cu and Li atoms exhibit extensive disorder; they are distributed over the partly occupied positions 2( a ), 2( b ) and 4( e ). Both phases seem to be interesting in terms of application of Cu-Sn alloys as anode materials for Li-ion batteries.

  3. FRACTIONAL RECRYSTALLIZATION KINETICS IN DIRECTLY COLD ROLLED Al-Mg, Al-Mg-Sc AND Al-Mg-Sc-Zr ALLOY

    Directory of Open Access Journals (Sweden)

    M. S. Kaiser

    2014-12-01

    Full Text Available The evaluation of texture as a function of recrystallization has been characterized for directly cold rolled Al-6Mg, Al-6Mg-0.4Sc and Al-6Mg-0.4Sc-0.2Zr alloys. Samples were annealed isothermally at 400 °C for 1 to 240 minutes to allow recrystallization. Recrystallization kinetics of the alloys is analyzed from the micro-hardness variation. Isothermally annealed samples of aluminum alloys were also studied using JMAK type analysis to see if there exists any correlation between the methods. Recrystallization fraction behavior between two methods the scandium added alloys show the higher variation due to precipitation hardening and higher recrystallization behavior. The scandium and zirconium as a combined shows the more variation due to formation of Al3(Sc, Zr precipitate. From the microstructure it is also observed that the base Al-Mg alloy attained almost fully re-crystallized state after annealing at 400 °C for 60 minutes

  4. Hydrostatic pressing effect on some properties of Al2O3 and Sc2O3 base ceramics

    International Nuclear Information System (INIS)

    Artemova, K.K.; Rudenko, L.A.; Maslova, G.Ya.; Levkovich, N.A.; Orlova, L.A.

    1981-01-01

    Found is the effect of hydrostatic pressing pressure on some physico-mechanical properties of the ceramic on the Al 2 O 3 and Se 2 O 3 base. Mathematical models, describing dependences of the strength of materials made of Al 2 O 3 and Sc 2 O 3 on sintering conditions and on hydrostatic pressing pressure, are plotted. Production regimes on the Al 2 O 3 and Sc 2 O 3 base ceramics with improved properties are optimized [ru

  5. Heteroplasmon hybridization in stacked complementary plasmo-photonic crystals.

    Science.gov (United States)

    Iwanaga, Masanobu; Choi, Bongseok

    2015-03-11

    We constructed plasmo-photonic crystals in which efficient light-trapping, plasmonic resonances couple with photonic guided resonances of large density of states and high-quality factor. We have numerically and experimentally shown that heteroplasmon hybrid modes emerge in stacked complementary (SC) plasmo-photonic crystals. The resonant electromagnetic-field distributions evidence that the two hybrid modes originate from two different heteroplasmons, exhibiting a large energy splitting of 300 meV. We further revealed a series of plasmo-photonic modes in the SC crystals.

  6. Direct growth of self-crystallized graphene and graphite nanoballs with Ni vapor-assisted growth: From controllable growth to material characterization

    Science.gov (United States)

    Yen, Wen-Chun; Chen, Yu-Ze; Yeh, Chao-Hui; He, Jr-Hau; Chiu, Po-Wen; Chueh, Yu-Lun

    2014-01-01

    A directly self-crystallized graphene layer with transfer-free process on arbitrary insulator by Ni vapor-assisted growth at growth temperatures between 950 to 1100°C via conventional chemical vapor deposition (CVD) system was developed and demonstrated. Domain sizes of graphene were confirmed by Raman spectra from ~12 nm at growth temperature of 1000°C to ~32 nm at growth temperature of 1100°C, respectively. Furthermore, the thickness of the graphene is controllable, depending on deposition time and growth temperature. By increasing growth pressure, the growth of graphite nano-balls was preferred rather than graphene growth. The detailed formation mechanisms of graphene and graphite nanoballs were proposed and investigated in detail. Optical and electrical properties of graphene layer were measured. The direct growth of the carbon-based materials with free of the transfer process provides a promising application at nanoelectronics. PMID:24810224

  7. Frequency-selective near-field radiative heat transfer between photonic crystal slabs: a computational approach for arbitrary geometries and materials.

    Science.gov (United States)

    Rodriguez, Alejandro W; Ilic, Ognjen; Bermel, Peter; Celanovic, Ivan; Joannopoulos, John D; Soljačić, Marin; Johnson, Steven G

    2011-09-09

    We demonstrate the possibility of achieving enhanced frequency-selective near-field radiative heat transfer between patterned (photonic-crystal) slabs at designable frequencies and separations, exploiting a general numerical approach for computing heat transfer in arbitrary geometries and materials based on the finite-difference time-domain method. Our simulations reveal a tradeoff between selectivity and near-field enhancement as the slab-slab separation decreases, with the patterned heat transfer eventually reducing to the unpatterned result multiplied by a fill factor (described by a standard proximity approximation). We also find that heat transfer can be further enhanced at selective frequencies when the slabs are brought into a glide-symmetric configuration, a consequence of the degeneracies associated with the nonsymmorphic symmetry group.

  8. The single-crystal multinary compound Cu2ZnSnS4 as an environmentally friendly high-performance thermoelectric material

    Science.gov (United States)

    Nagaoka, Akira; Masuda, Taizo; Yasui, Shintaro; Taniyama, Tomoyasu; Nose, Yoshitaro

    2018-05-01

    We investigated the thermoelectric properties of high-quality p-type Cu2ZnSnS4 single crystals. This material showed two advantages: low thermal conductivity because of lattice scattering caused by the easily formed Cu/Zn disordered structure, and high conductivity because of high doping from changes to the composition. All samples showed a thermal conductivity of 3.0 W m‑1 K‑1 at 300 K, and the Cu-poor sample showed a conductivity of 7.5 S/cm at 300 K because of the high density of shallow-acceptor Cu vacancies. The figure of merit of the Cu-poor Cu2ZnSnS4 reached 0.2 at 400 K, which is 1.4–45 times higher than those of related compounds.

  9. Direct growth of self-crystallized graphene and graphite nanoballs with Ni vapor-assisted growth: from controllable growth to material characterization.

    Science.gov (United States)

    Yen, Wen-Chun; Chen, Yu-Ze; Yeh, Chao-Hui; He, Jr-Hau; Chiu, Po-Wen; Chueh, Yu-Lun

    2014-05-09

    A directly self-crystallized graphene layer with transfer-free process on arbitrary insulator by Ni vapor-assisted growth at growth temperatures between 950 to 1100 °C via conventional chemical vapor deposition (CVD) system was developed and demonstrated. Domain sizes of graphene were confirmed by Raman spectra from ~12 nm at growth temperature of 1000 °C to ~32 nm at growth temperature of 1100 °C, respectively. Furthermore, the thickness of the graphene is controllable, depending on deposition time and growth temperature. By increasing growth pressure, the growth of graphite nano-balls was preferred rather than graphene growth. The detailed formation mechanisms of graphene and graphite nanoballs were proposed and investigated in detail. Optical and electrical properties of graphene layer were measured. The direct growth of the carbon-based materials with free of the transfer process provides a promising application at nanoelectronics.

  10. 1-Butyl-3-Methylimidazolium Tetrafluoroborate Film as a Highly Selective Sensing Material for Non-Invasive Detection of Acetone Using a Quartz Crystal Microbalance.

    Science.gov (United States)

    Tao, Wenyan; Lin, Peng; Liu, Sili; Xie, Qingji; Ke, Shanming; Zeng, Xierong

    2017-01-20

    Breath acetone serves as a biomarker for diabetes. This article reports 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF₄]), a type of room temperature ionic liquid (RTIL), as a selective sensing material for acetone. The RTIL sensing layer was coated on a quartz crystal microbalance (QCM) for detection. The sensing mechanism is based on a decrease in viscosity and density of the [bmim][BF₄] film due to the solubilization of acetone leading to a positive frequency shift in the QCM. Acetone was detected with a linear range from 7.05 to 750 ppmv. Sensitivity and limit of detection were found to be 3.49 Hz/ppmv and 5.0 ppmv, respectively. The [bmim][BF₄]-modified QCM sensor demonstrated anti-interference ability to commonly found volatile organic compounds in breath, e.g., isoprene, 1,2-pentadiene, d -limonene, and dl -limonene. This technology is useful for applications in non-invasive early diabetic diagnosis.

  11. Tunable band gap and optical properties of surface functionalized Sc2C monolayer

    International Nuclear Information System (INIS)

    Wang Shun; Du Yu-Lei; Liao Wen-He

    2017-01-01

    Using the density functional theory, we have investigated the electronic and optical properties of two-dimensional Sc 2 C monolayer with OH, F, or O chemical groups. The electronic structures reveal that the functionalized Sc 2 C monolayers are semiconductors with a band gap of 0.44–1.55 eV. The band gap dependent optical parameters, like dielectric function, absorption coefficients, reflectivity, loss function, and refraction index were also calculated for photon energy up to 20 eV. At the low-energy region, each optical parameter shifts to red, and the peak increases obviously with the increase of the energy gap. Consequently, Sc 2 C monolayer with a tunable band gap by changing the type of surface chemical groups is a promising 2D material for optoelectronic devices. (paper)

  12. Crystal Structure Analysis of Electromagnetic Wave Absorber Material BaFe12-xTix/2Znx/2O19Based

    Science.gov (United States)

    Delina, M.; Nenni, N.; Adi, W. A.

    2018-04-01

    The optimization of BaFe12-xTix/2Znx/2O19 (x=2.2; 2.4; 2.6; 2.8)single phase composition have been performed. The materials were synthesized by solid state reaction method through mechanical milling technique.The materials were made from the mixture of oxide materials, which are BaCO3, Fe2O3, TiO2 and ZnO. The mixture was milled for five hours using a High Energy Milling (HEM), was dried at 100°C in the Oven and then was sintered at 1000°C for five hours in the Furnace. The phase identification of BaFe12-xTix/2Znx/2O19 (x=2.2; 2.4; 2.6; 2.8) were carried out by using a Match Program while the crystal structure analysis were investigated by using a General Structure Analysis System (GSAS) program. The refinement results of x-ray diffraction pattern showed that the sample of x ≤ 2.4 have a BaFe12O19 single phase while the sample of x> 2.4 have two phases, which are BaFe12O19 and ZnFe2O4 phases. The surface morphology of sample and the element of sample were identified through an analysis of Scanning Electron Microscope (SEM) and Energy Dispersive Spectroscopy (EDS) data.

  13. Active Photonic Crystal Waveguides

    DEFF Research Database (Denmark)

    Ek, Sara

    This thesis deals with the fabrication and characterization of active photonic crystal waveguides, realized in III-V semiconductor material with embedded active layers. The platform offering active photonic crystal waveguides has many potential applications. One of these is a compact photonic...... due to photonic crystal dispersion. The observations are explained by the enhancement of net gain by light slow down. Another application based on active photonic crystal waveguides is micro lasers. Measurements on quantum dot micro laser cavities with different mirror configurations and photonic...

  14. Conductivity ageing studies on 1M10ScSZ (M4+=Ce, Hf)

    DEFF Research Database (Denmark)

    Omar, Shobit; Bin Najib, Waqas; Bonanos, Nikolaos

    2011-01-01

    The long-term conductivity stability is tested on zirconia based electrolyte materials for solid oxide fuel cell applications. The ageing studies have been performed on the samples of ZrO2 co-doped with 10mol% of Sc2O3 and 1mol% MO2, where M = Ce or Hf (denoted respectively 1Ce10ScSZ and 1Hf10Sc......SZ) in oxidising and reducing atmospheres, at 600°C for 3000h. At 600°C, these compositions show initial conductivity of around 9–12mS∙cm−1 in air. After 3000h of ageing, no phase transitions are observed in any of the samples. For the first 1000h, the degradation rate is higher than in the subsequent 2000h......; thereafter, conductivity degrades linearly with time for all samples. In air, the loss in the conductivity is lower than in reducing conditions. The 1Ce10ScSZ shows the highest degradation rate of 3.8%/1000h in wet H2/N2 after the first 1000h of ageing. A colour change of the 1Ce10ScSZ sample from white...

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

    Science.gov (United States)

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

    2015-01-01

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

  16. Effect of in-material losses on terahertz absorption, transmission, and reflection in photonic crystals made of polar dielectrics

    Energy Technology Data Exchange (ETDEWEB)

    Serebryannikov, Andriy E., E-mail: andser@amu.edu.pl [Faculty of Physics, Adam Mickiewicz University, 61-614 Poznań (Poland); Nanotechnology Research Center—NANOTAM, Bilkent University, 06800 Ankara (Turkey); Nojima, S. [Yokohama City University, Department of Nanosystem Science, Graduate School of Nanobioscience, Kanazawa Ku, 22-2 Seto, Yokohama, Kanagawa 2360027 (Japan); Alici, K. B. [TUBITAK Marmara Research Center, Materials Institute, 41470 Gebze, Kocaeli (Turkey); Ozbay, Ekmel [Nanotechnology Research Center—NANOTAM, Bilkent University, 06800 Ankara (Turkey)

    2015-10-07

    The effect of the material absorption factor on terahertz absorption (A), transmittance (T), and reflectance (R) for slabs of PhC that comprise rods made of GaAs, a polar dielectric, is studied. The main goal was to illustrate how critical a choice of the absorption factor for simulations is and to indicate the importance of the possible modification of the absorption ability by using either active or lossy impurities. The spectra of A, T, and R are strongly sensitive to the location of the polaritonic gap with respect to the photonic pass and stop bands connected with periodicity that enables the efficient combination of the effects of material and structural parameters. It will be shown that the spectra can strongly depend on the utilized value of the material absorption factor. In particular, both narrow and wide absorption bands may appear owing to a variation of the material parameters with a frequency in the vicinity of the polaritonic gap. The latter are often achieved at wideband suppression of transmission, so that an ultra-wide stop band can appear as a result of adjustment of the stop bands having different origin. The results obtained at simultaneous variation of the absorption factor and frequency, and angle of incidence and frequency, indicate the possibility of the existence of wide ranges of tolerance, in which the basic features do remain. This allows for mitigating the accuracy requirements for the absorption factor in simulations and promises the efficient absorption of nonmonochromatic waves and beams with a wide angular spectrum. Suppression of narrowband effects in transmission is demonstrated at rather large values of the absorption factor, when they appear due to either the defect modes related to structural defects or dispersion inspired variations of the material parameters in the vicinity of the polaritonic gap. Comparison with auxiliary structures helps one to detect the common features and differences of homogeneous slabs and slabs of a

  17. Creep of crystals

    International Nuclear Information System (INIS)

    Poirier, J.-P.

    1988-01-01

    Creep mechanisms for metals, ceramics and rocks, effect of pressure and temperature on deformation processes are considered. The role of crystal defects is analysed, different models of creep are described. Deformation mechanisms maps for different materials are presented

  18. Controllable synthesis, crystal structure and magnetic properties of Monomer-Dimer Cocrystallized MnIII Salen-type composite material

    Science.gov (United States)

    Wu, Qiong; Wu, Wei; Wu, Yongmei; Li, Weili; Qiao, Yongfeng; Wang, Ying; Wang, Baoling

    2018-04-01

    By the reaction of manganese-Schiff-base complexes with penta-anionic Anderson heteropolyanion, a new supramolecular architecture [Mn2(Salen)2(H2O)2][Mn(Salen)(H2O)2]2Na[IMo6O24]·8H2O (1) (salen = N,N‧-ethylene-bis (salicylideneiminate) has been isolated. Compound 1 was characterized by the single-crystal X-ray diffraction, elemental, IR and thermal gravimetric analyses. Structural analysis reveals that the unit cell simultaneously contains MnIII-Salen dimer and monomer cation fragments, for which the Anderson-type polyanions serve as counter anions. In the packing arrangement, all the MnIII dimers are well separated by polyoxometalate units and form tertiary structure together with MnIII monomers. Interestingly, different from the previous work, in the exact same reaction conditions, we are able to template MnIII-Salen complexes into different configurations by varying the charge state of polyanions. Besides, the magnetic properties of 1 were also examined by using both dc and ac magnetic field of the superconducting quantum interference devices. Most importantly, our fitting of the experimental data to a Heisenberg-type spin model shows that there exists a ferromagnetic exchange interaction ∼5 K between the spins (S = 2) on MnIII in the dimer, while antiferromagnetic ones exist among monomers and dimer (∼2 K). This meta-magnetic state could induce a slight spin frustration at low temperature, which would in turn affect the magnetic behavior. In addition, our ac field measurement of the susceptibilities suggests a typical signature for a single-molecule magnet.

  19. Disorder in materials with complex crystal structures: the Non-Local Coherent Potential Approximation for compounds with multiple sublattices

    International Nuclear Information System (INIS)

    Marmodoro, A; Staunton, J B

    2011-01-01

    Over the last few years the Non-Local Coherent Potential Approximation (NL-CPA) has been shown to provide an effective way to describe the electronic structure and related properties of disordered systems, where short-range order (SRO) and other local environment effects are important. Here we present its generalization to materials with multi-atom per unit cell lattices. The method is described using a Green function formalism and illustrated by an implementation for a simplified one-dimensional tight-binding model with substitutional disorder. This development paves the way for a natural reimplementation of the Korringa-Kohn-Rostoker (KKR) multiple scattering solution of Kohn-Sham equations for ab-initio calculations of real materials.

  20. Network diversity through decoration of trigonal-prismatic nodes: Two-step crystal engineering of cationic metal-organic materials

    KAUST Repository

    Schoedel, Alexander

    2011-10-05

    MOMs the word! In a two-step process, first a trigonal-prismatic Primary Molecular Building Block ([Cr3O(isonic)6]+, tp-PMBB-1) was formed and then it was connected to linear linkers or square-planar nodes to afford three novel highly charged cationic metal-organic materials (MOMs) with snx, snw, and stp topologies. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Sb2Te3 crystal a potential absorber material for broadband photodetector: A first-principles study

    Directory of Open Access Journals (Sweden)

    Abdullahi Lawal

    Full Text Available Antimony telluride (Sb2Te3, a layered semiconductor material, is considered a promising absorbing material for a high-performance optoelectronic device within broadband wavelengths because of remarkable features like strong optical absorbance and the narrow direct band gap. In this work, based on the first-principles approach, we investigate in detail the structural, electronic and optical properties of the hexagonal Sb2Te3 compound. The structural and electronic properties were computed using the first-principles approach, treating exchange–correlation potential with generalized gradient approximation (GGA within density functional theory (DFT. Furthermore, for accurate prediction of the band gap, we go beyond DFT and calculated band structure using GW correction. The optical properties, namely, imaginary and real parts of complex dielectric function, absorption coefficient, refractive index, reflectivity, extinction coefficient, electron energy loss function and optical conductivity are performed by quasi-particle many-body perturbation theory (MBPT via Bethe-Salpeter equation (BSE. The computed structural parameters are in good agreement with available experimental data. The obtained quasi-particle (GW correction band structure show the semiconducting character of Sb2Te3 material with a direct band gap Eg of 0.221 eV, in agreement with previously reported value (Eg = 0.210 eV while the projected density of states indicates (PDOS that the p-orbital of Sb and Te atoms are responsible for material properties near the Fermi level. To our knowledge, our first reported calculations of optical properties, with the inclusion of electron-hole effects are consistent with available experimental measurements. Consistencies of our findings with experimental data validate the effectiveness of electron-hole interaction for theoretical investigation of optical properties. Keywords: DFT, Quasi-particle many-body perturbation theory, Bethe

  2. Increasing low frequency sound attenuation using compounded single layer of sonic crystal

    Science.gov (United States)

    Gulia, Preeti; Gupta, Arpan

    2018-05-01

    Sonic crystals (SC) are man-made periodic structures where sound hard scatterers are arranged in a crystalline manner. SC reduces noise in a particular range of frequencies called as band gap. Sonic crystals have a promising application in noise shielding; however, the application is limited due to the size of structure. Particularly for low frequencies, the structure becomes quite bulky, restricting its practical application. This paper presents a compounded model of SC, which has the same overall area and filling fraction but with increased low frequency sound attenuation. Two cases have been considered, a three layer SC and a compounded single layer SC. Both models have been analyzed using finite element simulation and plane wave expansion method. Band gaps for periodic structures have been obtained using both methods which are in good agreement. Further, sound transmission loss has been evaluated using finite element method. The results demonstrate the use of compounded model of Sonic Crystal for low frequency sound attenuation.

  3. Synthesis, microstructural characterization and optical properties of undoped, V and Sc doped ZnO thin films

    International Nuclear Information System (INIS)

    Amezaga-Madrid, P.; Antunez-Flores, W.; Ledezma-Sillas, J.E.; Murillo-Ramirez, J.G.; Solis-Canto, O.; Vega-Becerra, O.E.; Martinez-Sanchez, R.; Miki-Yoshida, M.

    2011-01-01

    Research highlights: → Undoped, V and Sc doped ZnO thin films by Aerosol Assisted Chemical Vapour Deposition. → Optimum substrate temperatures of 673 K and 623 K for Sc and V doped films. → Around one third of the dopants in solution were deposited into the films. → Crystallite and grain size decreased with the increase of dopant concentration. → Optical band gap increased from 3.29 to 3.32 eV for undoped to 7 Sc/Zn at. %. - Abstract: Many semiconductor oxides (ZnO, TiO 2 , SnO 2 ) when doped with a low percentage of non-magnetic (V, Sc) or magnetic 3d (Co, Mn, Ni, Fe) cation behave ferromagnetically. They have attracted a great deal of interest due to the integration of semiconducting and magnetic properties in a material. ZnO is one of the most promising materials to carry out these tasks in view of the fact that it is optically transparent and has n or p type conductivity. Here, we report the synthesis, microstructural characterization and optical properties of undoped, V and Sc doped zinc oxide thin films. ZnO based thin films with additions of V and Sc were deposited by the Aerosol Assisted Chemical Vapour Deposition method. V and Sc were incorporated separately in the precursor solution. The films were uniform, transparent and non-light scattering. The microstructure of the films was characterized by Grazing Incidence X-ray Diffraction, Scanning Electron Microscopy, and Scanning Probe Microscopy. Average grain size and surface rms roughness were estimated by the measurement of Atomic Force Microscopy. The microstructure of doped ZnO thin films depended on the type and amount of dopant material incorporated. The optical properties were determined from specular reflectance and transmittance spectra. Results were analyzed to determine the optical constant and band gap of the films. An increase in the optical band gap with the content of Sc dopant was obtained.

  4. Materialism.

    Science.gov (United States)

    Melnyk, Andrew

    2012-05-01

    Materialism is nearly universally assumed by cognitive scientists. Intuitively, materialism says that a person's mental states are nothing over and above his or her material states, while dualism denies this. Philosophers have introduced concepts (e.g., realization and supervenience) to assist in formulating the theses of materialism and dualism with more precision, and distinguished among importantly different versions of each view (e.g., eliminative materialism, substance dualism, and emergentism). They have also clarified the logic of arguments that use empirical findings to support materialism. Finally, they have devised various objections to materialism, objections that therefore serve also as arguments for dualism. These objections typically center around two features of mental states that materialism has had trouble in accommodating. The first feature is intentionality, the property of representing, or being about, objects, properties, and states of affairs external to the mental states. The second feature is phenomenal consciousness, the property possessed by many mental states of there being something it is like for the subject of the mental state to be in that mental state. WIREs Cogn Sci 2012, 3:281-292. doi: 10.1002/wcs.1174 For further resources related to this article, please visit the WIREs website. Copyright © 2012 John Wiley & Sons, Ltd.

  5. Bulk viscosity in 2SC quark matter

    International Nuclear Information System (INIS)

    Alford, Mark G; Schmitt, Andreas

    2007-01-01

    The bulk viscosity of three-flavour colour-superconducting quark matter originating from the nonleptonic process u + s ↔ u + d is computed. It is assumed that up and down quarks form Cooper pairs while the strange quark remains unpaired (2SC phase). A general derivation of the rate of strangeness production is presented, involving contributions from a multitude of different subprocesses, including subprocesses that involve different numbers of gapped quarks as well as creation and annihilation of particles in the condensate. The rate is then used to compute the bulk viscosity as a function of the temperature, for an external oscillation frequency typical of a compact star r-mode. We find that, for temperatures far below the critical temperature T c for 2SC pairing, the bulk viscosity of colour-superconducting quark matter is suppressed relative to that of unpaired quark matter, but for T ∼> T c /30 the colour-superconducting quark matter has a higher bulk viscosity. This is potentially relevant for the suppression of r-mode instabilities early in the life of a compact star

  6. BOOK REVIEW: Assessing Sc1 for GCSE

    Science.gov (United States)

    Reynolds, H.

    2000-01-01

    It is well known that investigations that `fit' the National Curriculum or examination board criteria are few in number. The fair testing emphasis means that pupils all over the country are finding out what affects the rate of a chemical reaction, the rate of photosynthesis or, in the case of Physics, the resistance of a wire. This book focuses on nine of the most common Sc1 investigations and how to prepare for them, manage and assess them. The author, a GCSE examiner, has turned his expertise into a handbook for improving Sc1 performance in the classroom. He has produced a book that would be extremely useful to both newly qualified teachers and experienced teachers. The first aim of the book, however, is to explain the requirements of Sc1. This is done comprehensively with examples of what the jargon means in practice. By breaking down the elements of planning, obtaining evidence, analysing evidence and evaluating, it is easy to see the subtleties of the mark descriptors. At first glance there seems to be little difference between the type of scientific knowledge needed for planning at level 6 and level 8. However, the level 8 statement specifies `detailed' scientific knowledge and understanding, which would mean a student should use equations from physics or symbolic chemical equations to support their arguments. One of the most useful sections in the book details the marking problems that can arise with some investigations. For example, in an investigation into electromagnets it is difficult for students to provide sufficient relevant scientific theory to satisfy the requirements of planning at level 6. One of the problems with Sc1 is that certain requirements, such as graph plotting, are difficult for many students. This book provides exercises that can be given to students to improve those skills. Each of the nine investigations is covered in great detail. Each investigation begins with an introduction detailing the rationale for choosing it, whether students

  7. Acquisition of Single Crystal Growth and Characterization Equipment. Final report

    International Nuclear Information System (INIS)

    Maple, M. Brian; Zocco, Diego A.

    2008-01-01

    Final Report for DOE Grant No. DE-FG02-04ER46178 'Acquisition of Single Crystal Growth and Characterization Equipment'. There is growing concern in the condensed matter community that the need for quality crystal growth and materials preparation laboratories is not being met in the United States. It has been suggested that there are too many researchers performing measurements on too few materials. As a result, many user facilities are not being used optimally. The number of proficient crystal growers is too small. In addition, insufficient attention is being paid to the enterprise of finding new and interesting materials, which is the driving force behind much of condensed matter research and, ultimately, technology. While a detailed assessment of this situation is clearly needed, enough evidence of a problem already exists to compel a general consensus that the situation must be addressed promptly. This final report describes the work carried out during the last four years in our group, in which a state-of-the-art single crystal growth and characterization facility was established for the study of novel oxides and intermetallic compounds of rare earth, actinide and transition metal elements. Research emphasis is on the physics of superconducting (SC), magnetic, heavy fermion (HF), non-Fermi liquid (NFL) and other types of strongly correlated electron phenomena in bulk single crystals. Properties of these materials are being studied as a function of concentration of chemical constituents, temperature, pressure, and magnetic field, which provide information about the electronic, lattice, and magnetic excitations at the root of various strongly correlated electron phenomena. Most importantly, the facility makes possible the investigation of material properties that can only be achieved in high quality bulk single crystals, including magnetic and transport phenomena, studies of the effects of disorder, properties in the clean limit, and spectroscopic and scattering

  8. New Methods of Simulation of Mn(II) EPR Spectra: Single Crystals, Polycrystalline and Amorphous (Biological) Materials

    Science.gov (United States)

    Misra, Sushil K.

    Biological systems exhibit properties of amorphous materials. The Mn(II) ion in amorphous materials is characterized by distributions of spin-Hamiltonian parameters around mean values. It has a certain advantage over other ions, being one of the most abundant elements on the earth. The extent to which living organisms utilize manganese varies from one organism to the other. There is a fairly high concentration of the Mn(II) ion in green plants, which use it in the O2 evolution reaction of photosynthesis (Sauer, 1980). Structure-reactivity relationships in Mn(II)-O2 complexes are given in a review article by Coleman and Taylor (1980). Manganese is a trace requirement in animal nutrition; highly elevated levels of manganese in the diet can be toxic, probably because of an interference with iron homeostasis (Underwood, 1971). On the other hand, animals raised with a dietary deficiency of manganese exhibit severe abnormalities in connective tissue; these problems have been attributed to the obligatory role of Mn(II) in mucopolysaccharide metabolism (Leach, 1971). Mn(II) has been detected unequivocally in living organisms.

  9. Construction of near-infrared photonic crystal glucose-sensing materials for ratiometric sensing of glucose in tears.

    Science.gov (United States)

    Hu, Yumei; Jiang, Xiaomei; Zhang, Laiying; Fan, Jiao; Wu, Weitai

    2013-10-15

    Noninvasive monitoring of glucose in tears is highly desirable in tight glucose control. The polymerized crystalline colloidal array (PCCA) that can be incorporated into contact lens represents one of the most promising materials for noninvasive monitoring of glucose in tears. However, low sensitivity and slow time response of the PCCA reported in previous arts has limited its clinical utility. This paper presents a new PCCA, denoted as NIR-PCCA, comprising a CCA of glucose-responsive sub-micrometered poly(styrene-co-acrylamide-co-3-acrylamidophenylboronic acid) microgels embedded within a slightly positive charged hydrogel matrix of poly(acrylamide-co-2-(dimethylamino)ethyl acrylate). This newly designed NIR-PCCA can reflect near-infrared (NIR) light, whose intensity (at 1722 nm) would decrease evidently with increasing glucose concentration over the physiologically relevant range in tears. The lowest glucose concentration reliably detectable was as low as ca. 6.1 μg/dL. The characteristic response time τ(sensing) was 22.1±0.2s when adding glucose to 7.5 mg/dL, and the higher the glucose concentration is, the faster the time response. Such a rationally designed NIR-PCCA is well suited for ratiometric NIR sensing of tear glucose under physiological conditions, thereby likely to bring this promising glucose-sensing material to the forefront of analytical devices for diabetes. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Facile synthesis of single-crystal mesoporous CoNiO2 nanosheets assembled flowers as anode materials for lithium-ion batteries

    International Nuclear Information System (INIS)

    Liu, Yanguo; Zhao, Yanyan; Yu, Yanlong; Ahmad, Mashkoor; Sun, Hongyu

    2014-01-01

    Highlights: • Mesoporous CoNiO 2 microflowers have been synthesized. • Li-ion batteries performance of CoNiO 2 has been investigated. • CoNiO 2 structure delivers high capacity, good cycling stability and high rate capability. • The electrochemical performance is attributed to the mesoporous nature and the 3D structure. • CoNiO 2 can be considered to be an attractive candidate as an electrode material for LIBs. - Abstract: Mesoporous CoNiO 2 microflowers assembled with single-crystal nanosheets were successfully synthesized by a hydrothermal method and subsequent annealing process and their lithium storage capacity were investigated. The structural and compositional analysis of the mesoporous CoNiO 2 microflowers has been studied by X-ray diffraction, field emission scanning electron microscopy and high-resolution transmission electron microscopy. The Bruauer–Emmett–Teller specific surface area of CoNiO 2 microflowers has been calculated by the nitrogen isotherm curve and pore size distribution has been determined by the Barret–Joyner–Halenda method. It has been found that the as-prepared CoNiO 2 electrodes delivered satisfied capacity, good cycling stability and rate capability. The improved electrochemical performance is attributed to the mesoporous nature and the 3D assembled structure. Therefore, such a structure can be considered to be an attractive candidate as an electrode material for lithium-ion batteries

  11. XAFS Analysis of Local Structure around Ce in Ca3Sc2Si3O12:Ce Phosphor for White LEDs

    International Nuclear Information System (INIS)

    Akai, Toshio; Shigeiwa, Motoyuki; Okamoto, Kaoru; Shimomura, Yasuo; Kijima, Naoto; Honma, Tetsuo

    2007-01-01

    We have studied the local structure around Ce atom in Ca3Sc2Si3O12 host crystal, which has been developed as a new green phosphor for white light emitting diodes (LEDs). As the local structure and chemical environment of the dopant atom are very important to improve the performance of the phosphor, we have used XAFS to get chemical and structural information around the Ce dopant. The XANES spectrum of the Ce LIII-edge reveals that the Ce atom is trivalent in Ca3Sc2Si3O12. There are two kinds of possible Ce substitution sites, Ca site and Sc site, in garnet type Ca3Sc2Si3O12 crystal structure. The Ce atom is found to be at the Ca site in the host crystal by the comparison of the Fourier transform of Ce K-edge EXAFS spectrum with those of Ca and Sc K-edge EXAFS spectra. The theoretical analysis with FEFF also clarified the Ce substitution at the Ca site. Furthermore, the result of the analysis indicates the structural disorder around Ca and Si atoms at 3.75 A. It is possible that there are some defects around the Ca and Si atoms at 3.75 A to compensate the excess positive charge by introduced Ce3+ at the Ca2+ site

  12. Enhancement of Dielectric Breakdown Strength and Energy Conversion Efficiency of Niobate Glass-Ceramics by Sc2O3 Doping

    Science.gov (United States)

    Xiao, Shi; Xiu, Shaomei; Yang, Ke; Shen, Bo; Zhai, Jiwei

    2018-01-01

    Niobate glass-ceramics K2O-SrO-Nb2O5-B2O3-Al2O3-SiO2 (KSN-BAS) doped with different amounts of Sc2O3 have been prepared through a melt quenching/controlled crystallization method, and the influence of the Sc2O3 content on their phase composition, microstructure, dielectric performance, and charge-discharge properties investigated. X-ray powder diffraction results showed that the peak positions of the KSr2Nb5O15 phase shifted to higher angle and the glass-ceramic microstructures were significantly improved by Sc2O3 addition. Based on these results, 0.5 mol.% Sc2O3 doping was found to achieve remarkable enhancement in energy storage density, which reached 9.63 ± 0.39 J/cm3 at dielectric breakdown strength of 1450.38 ± 29.01 kV/cm with high conversion efficiency of ˜ 92.1%. For pulsed power applications, discharge speed of 17 ns and power density of 0.48 MW/cm3 were obtained in the glass-ceramic with 0.5 mol.% Sc2O3. These results could provide a new design strategy for high-performance dielectric capacitors.

  13. The Effect of Surfactant Content over Cu-Ni Coatings Electroplated by the sc-CO₂ Technique.

    Science.gov (United States)

    Chuang, Ho-Chiao; Sánchez, Jorge; Cheng, Hsiang-Yun

    2017-04-19

    Co-plating of Cu-Ni coatings by supercritical CO₂ (sc-CO₂) and conventional electroplating processes was studied in this work. 1,4-butynediol was chosen as the surfactant and the effects of adjusting the surfactant content were described. Although the sc-CO₂ process displayed lower current efficiency, it effectively removed excess hydrogen that causes defects on the coating surface, refined grain size, reduced surface roughness, and increased electrochemical resistance. Surface roughness of coatings fabricated by the sc-CO₂ process was reduced by an average of 10%, and a maximum of 55%, compared to conventional process at different fabrication parameters. Cu-Ni coatings produced by the sc-CO₂ process displayed increased corrosion potential of ~0.05 V over Cu-Ni coatings produced by the conventional process, and 0.175 V over pure Cu coatings produced by the conventional process. For coatings ~10 µm thick, internal stress developed from the sc-CO₂ process were ~20 MPa lower than conventional process. Finally, the preferred crystal orientation of the fabricated coatings remained in the (111) direction regardless of the process used or surfactant content.

  14. Structure of NiCrAlY coatings deposited on single-crystal alloy turbine blade material by laser cladding

    International Nuclear Information System (INIS)

    Vilar, R.; Santos, E.C.; Ferreira, P.N.; Franco, N.; Silva, R.C. da

    2009-01-01

    In the present work single and multiple layer NiCrAlY coatings were produced by laser cladding on (100) single-crystalline substrates of SRR99 Ni-based superalloy. Detailed structural characterisation and texture analysis by optical microscopy, scanning electron microscopy, X-ray diffraction and Rutherford backscattering showed that the NiCrAlY coatings consisted essentially of γ phase with yttrium oxide (Y 2 O 3 ) and a small proportion of yttrium-aluminum garnet (Al 5 Y 3 O 12 ) precipitated in the interdendritic regions. The coatings presented a columnar dendritic structure grown by epitaxial solidification on the substrate and inherited the single-crystalline nature and the orientation of the substrate. The coating material also showed a mosaicity and a defect density similar to those of the substrate. It can be expected that the protective effect of these coatings against oxidation is greatly enhanced compared with polycrystalline coatings because high diffusivity paths, such as grain boundaries, are eliminated in single-crystalline coatings, thus reducing mass transport through the coating.

  15. Final Scientific Report: DE-SC0002194

    Energy Technology Data Exchange (ETDEWEB)

    Seidler, Gerald [Univ. of Washington, Seattle, WA (United States)

    2017-04-07

    We provide the final scientific report for DE-SC0002194. During the term of this grant, 28 publications spanning a variety of topics were addressed under the rubric of advanced x-ray methods and their application to extreme conditions of time-resolution or x-ray intensities. Notable accomplishments include a new observation of XANES features associated with f-shell reconfiguration in lanthanides, size-dependent x-ray heating effects under XFEL illumination conditions, theoretical development of improved treatments of inelastic x-ray scattering for 'warm dense matter' conditions, and several new instrument develop efforts for atomic, molecular, and condensed phase studies in the lab and at major facility lightsources.

  16. Energy Levels, wavelengths and hyperfine structure measurements of Sc II

    Science.gov (United States)

    Hala, Fnu; Nave, Gillian

    2018-01-01

    Lines of singly ionized Scandium (Sc II) along with other Iron group elements have been observed [1] in the region surrounding the massive star Eta Carinae [2,3] called the strontium filament (SrF). The last extensive analysis of Sc II was the four-decade old work of Johansson & Litzen [4], using low-resolution grating spectroscopy. To update and extend the Sc II spectra, we have made observation of Sc/Ar, Sc/Ne and Sc/Ge/Ar hollow cathode emission spectrum on the NIST high resolution FT700 UV/Vis and 2 m UV/Vis/IR Fourier transform spectrometers (FTS). More than 850 Sc II lines have been measured in the wavelength range of 187 nm to 3.2 μm. connecting a total of 152 energy levels. The present work also focuses to resolve hyperfine structure (HFS) in Sc II lines. We aim to obtain accurate transition wavelengths, improved energy levels and HFS constants of Sc II. The latest results from work in progress will be presented.Reference[1] Hartman H, Gull T, Johansson S and Smith N 2004 Astron. Astrophys. 419 215[2] Smith N, Morse J A and Gull T R 2004 Astrophys. J. 605 405[3] Davidson K and Humphreys R M 1997 Annu. Rev. Astron. Astrophys. 35[4] Johansson S and Litzén U 1980 Phys. Scr. 22 49

  17. The SC State NSF PAARE Program

    Science.gov (United States)

    Walter, Donald; Ajello, Marco; Brittain, Sean; Cash, Jennifer; Fogle, Bryan; Hartmann, Dieter; Ho, Shirley; Howell, Steve; King, Jeremy; Leising, Mark; Smith, Daniel

    2018-01-01

    We report on the activities of our NSF PAARE program during Year 3 of the project. Our partnership under this award includes South Carolina State University (a Historically Black College/University), Clemson University (a Ph.D. granting institution) and individual investigators at NASA Ames and elsewhere. Our partnership with the Citizen CATE Experiment and involvement in the total solar eclipse which passed through our campus on August 21, 2017, will be discussed. The PAARE project continues to strengthen our partnership with Clemson. We are close to completing a memorandum of agreement between the two institutions that will allow for the seamless transfer of an undergraduate from SC State to Clemson’s graduate program in physics and astronomy. Additionally, we have worked together under the Citizen CATE project and through other research activities. SC State is a member of the National Astronomy Consortium (NAC) and participates through its faculty and undergraduates, one of whom (Wesley Red) is reporting on his summer internship at this conference. We also served as the state coordinator for South Carolina for the Citizen CATE Experiment. The August 21st path of totality crossed through our campus and the campus of our partner Clemson University. Additional colleges, universities and citizen scientist groups partnered with us to provide 7 sites of coverage across South Carolina from the foothills of the Appalachian mountains to the Atlantic Ocean near the site of departure of the shadow from the continental U.S. Support for this work includes our NSF PAARE award AST-1358913 as well as resources and support provided by Clemson University and the National Optical Astronomy Observatory. CATE work has been supported by NASA SMD award NNX16AB92A to the National Solar Observatory. Additional details can be found at: http://physics.scsu.edu

  18. Materials

    CSIR Research Space (South Africa)

    Van Wyk, Llewellyn V

    2009-02-01

    Full Text Available . It is generally included as part of a structurally insulated panel (SIP) where the foam is sandwiched between external skins of steel, wood or cement. Cement composites Cement bonded composites are an important class of building materials. These products... for their stone buildings, including the Egyptians, Aztecs and Inca’s. As stone is a very dense material it requires intensive heating to become warm. Rocks were generally stacked dry but mud, and later cement, can be used as a mortar to hold the rocks...

  19. Elaboration of hybrid materials by templating with mineral liquid crystals stabilization of a mixed sol of YSZ nanoparticles and V2O5 ribbon-like colloids

    International Nuclear Information System (INIS)

    Guiot, C.

    2009-01-01

    The purpose of this PhD was to investigate innovative soft chemistry ways to prepare hybrid materials with ordered nano-structures. Concretely, research were conducted on the development of a hybrid material made of an yttria-stabilized zirconia (YSZ) matrix templated by a mineral liquid crystal, namely V 2 O 5 . In aqueous solutions, vanadium oxide exhibits ribbon-like colloids of typical dimensions 1 nm x 25 nm x 500 nm, stabilized by a strong negative surface charge. Above a critical concentration, the anisotropic colloids assemble into a nematic liquid crystal, whose domains can be oriented within the same direction over a macroscopic range under a weak magnetic field. The idea is to use V 2 O 5 anisotropic colloids as a template for a hybrid material, taking advantage of their ordering behavior. Preliminary experiments revealed a strong reactivity between molecular compounds of zirconium and vanadium oxide. Therefore, the studies were directed toward the preparation of a mixed colloidal sol containing YSZ nanoparticles and vanadium oxide ribbon-like colloids, as a precursor sol for the intended hybrid material. The YSZ nanoparticles are obtained through an outstanding hydrothermal synthesis leading to a stable suspension of nanocrystalline particles of ca. 5 nm, in pure water. Providing a mixed sol of YSZ and V 2 O 5 is a key challenge for it implies the co-stabilization of two types of colloids having different shape, size and surface properties. Besides, the existence of V 2 O 5 in its ribbon-like form requires acidic conditions and very low ionic strength. The first part of this work was then dedicated to the study of electro-steric stabilization of zirconia suspension by addition of acidic poly-electrolytes. Different polymers with carboxylic and/or sulfonic acidic functions were investigated. Based on zeta potential measurements and adsorption isotherms, the influence of molecular weight and polymer charge were discussed. Among the studied polymers, poly

  20. Martensitic Transformation in a β-Type Mg-Sc Alloy

    Science.gov (United States)

    Ogawa, Yukiko; Ando, Daisuke; Sutou, Yuji; Somekawa, Hidetoshi; Koike, Junichi

    2018-03-01

    Recently, we found that a Mg-Sc alloy with a bcc (β) phase exhibits superelasticity and a shape memory effect at low temperature. In this work, we examined the stress-induced and thermally induced martensitic transformation of the β-type Mg-Sc alloy and investigated the crystal structure of the thermally induced martensite phase based on in situ X-ray diffraction (XRD) measurements. The lattice constants of the martensite phase were calculated to be a = 0.3285 nm, b = 0.5544 nm, and c = 0.5223 nm when we assumed that the martensite phase has an orthorhombic structure (Cmcm). Based on the lattice correspondence between a bcc and an orthorhombic structures such as that in the case of β-Ti shape memory alloys, we estimated the transformation strain of the β Mg-Sc alloy. As a result, the transformation strains along the 001, 011, and 111 directions in the β phase were calculated to be + 5.7, + 8.8, and + 3.3%, respectively.

  1. Martensitic Transformation in a β-Type Mg-Sc Alloy

    Science.gov (United States)

    Ogawa, Yukiko; Ando, Daisuke; Sutou, Yuji; Somekawa, Hidetoshi; Koike, Junichi

    2017-12-01

    Recently, we found that a Mg-Sc alloy with a bcc (β) phase exhibits superelasticity and a shape memory effect at low temperature. In this work, we examined the stress-induced and thermally induced martensitic transformation of the β-type Mg-Sc alloy and investigated the crystal structure of the thermally induced martensite phase based on in situ X-ray diffraction (XRD) measurements. The lattice constants of the martensite phase were calculated to be a = 0.3285 nm, b = 0.5544 nm, and c = 0.5223 nm when we assumed that the martensite phase has an orthorhombic structure (Cmcm). Based on the lattice correspondence between a bcc and an orthorhombic structures such as that in the case of β-Ti shape memory alloys, we estimated the transformation strain of the β Mg-Sc alloy. As a result, the transformation strains along the 001, 011, and 111 directions in the β phase were calculated to be + 5.7, + 8.8, and + 3.3%, respectively.

  2. Toxicity, tissue distribution and excretion of 46ScCl3 and 46Sc-EDTA in mice

    International Nuclear Information System (INIS)

    Lachine, E.E.; Noujaim, A.A.; Ediss, C.; Wiebe, L.I.

    1976-01-01

    The acute toxicity, differential distribution in tissue, and elimination of ScCl 3 , 46 ScCl 3 , Sc-EDTA and 46 Sc-EDTA, in mice, has been investigated. The LD 50 sup(24hr) doses for ScCl 3 were 440 and 24 mg kg -1 respectively after intraperitioneal and intravenous injection, and 720 and 108 mg kg -1 respectively for Sc-EDTA. 46 ScCl 3 was extensively deposited in the liver and the spleen. 46 Sc-EDTA was rapidly taken up by the kidney with subsequent elimation via the urine. While-body desaturation kinetics for 46 Sc-EDTA were found to fit a three compartmental model. The fast elimination phase (T1/2 = 12.75 min; K = 0.05540 min -1 ) accounted for 74.6% of the dose; the intermediate phase (T1/2 = 40.2 min; K = 0.01722 min -1 ) for 21.8%, and the slow (T1/2 = 5351 min; K = 0.00013 min -1 ) for 3.6% of the dose. (author)

  3. Progress on photonic crystals

    CERN Document Server

    Lecoq, P; Gundacker, S; Hillemanns, H; Jarron, P; Knapitsch, A; Leclercq, J L; Letartre, X; Meyer, T; Pauwels, K; Powolny, F; Seassal, C

    2010-01-01

    The renewal of interest for Time of Flight Positron Emission Tomography (TOF PET) has highlighted the need for increasing the light output of scintillating crystals and in particular for improving the light extraction from materials with a high index of refraction. One possible solution to overcome the problem of total internal reflection and light losses resulting from multiple bouncing within the crystal is to improve the light extraction efficiency at the crystal/photodetector interface by means of photonic crystals, i.e. media with a periodic modulation of the dielectric constant at the wavelength scale. After a short reminder of the underlying principles this contribution proposes to present the very encouraging results we have recently obtained on LYSO pixels and the perspectives on other crystals such as BGO, LuYAP and LuAG. These results confirm the impressive predictions from our previously published Monte Carlo simulations. A detailed description of the sample preparation procedure is given as well ...

  4. Cyclotron production of {sup 44}Sc for clinical application

    Energy Technology Data Exchange (ETDEWEB)

    Krajewski, S.; Bilewicz, A. [Institute of Nuclear Chemistry and Technology, Warsaw (Poland); Cydzik, I. [Institute of Nuclear Chemistry and Technology, Warsaw (Poland); European Commission Joint Research Center, Ispra (Italy). Inst. for Health and Consumer Protection; Warsaw Univ. (Poland). Heavy Ion Lab.; Abbas, K. [European Commission Joint Research Center, Ispra (Italy). Institute for Transuranium Elements; Bulgheroni, A.; Simonelli, F.; Holzwarth, U. [European Commission Joint Research Center, Ispra (Italy). Inst. for Health and Consumer Protection

    2013-08-01

    {sup 44} is a promising {beta}{sup +}-emitter for molecular imaging with intermediate half-life of 4 h. Due to the chemical similarity of Sc{sup 3+} to the Lu{sup 3+} and Y{sup 3+} cations, {sup 44}Sc-DOTA bioconjugates are expected to demonstrate similar properties in vivo as the {sup 177}Lu- and {sup 90}Y-bioconjugates, what is important in planning the radionuclide therapy. {sup 44}Sc can be obtained from the {sup 44}Ti/{sup 44}Sc generator. An alternative method for {sup 44}Sc production can be the irradiation of {sup 44}Ca target at small cyclotrons. The aim of our work was to optimize the parameters of {sup 44}CaCO{sub 3} irradiation and to develop a simple procedure for {sup 44}Sc separation from the calcium target. For optimization study, {sup 44}CaCO{sub 3} targets were irradiated by protons in the energy range of 5.6-17.5 MeV with 9 MeV being found to be the best energy for {sup 44}Ca irradiations. A simple and fast separation procedure of {sup 44}Sc from calcium target was developed using chelating resin Chelex 100. DOTATATE conjugate was successfully radiolabelled with high yield at elevated temperature using the produced {sup 44}Sc. While {sup 44}CaCO{sub 3} is relatively expensive, the cost of {sup 44}Sc-DOTATATE production can be reduced by target recovery. Due to low proton energy required to produce GBq activity level of {sup 44}Sc, the availability of {sup 44}Sc radioisotope could be enhanced to open new opportunities for applications in medical imaging. (orig.)

  5. The monoclinic superstructure of the M2Pt6Al15 series (M=Ca, Sc, Y, La, Lu)

    International Nuclear Information System (INIS)

    Radzieowski, Mathis; Stegemann, Frank; Hoffmann, Rolf-Dieter; Janka, Oliver; Oldenburg Univ.

    2017-01-01

    The five ternary intermetallic compounds M 2 Pt 6 Al 15 (M=Ca, Sc, Y, La, Lu) were prepared from the elements by arc-melting. The crystal structure was determined via single crystal X-ray diffraction. The title compounds crystallize in a superstructure of the RE 0.67 Pt 2 Al 5 type structure (P6 3 /mmc) in the monoclinic crystal system with space group P12 1 /m1 (Sc 2 Pt 6 Al 15 : a=734.19(2), b=1628.96(10), c=734.19(2) pm, β=119.999(3) ; wR=0.0356, 3034 F 2 values, 68 variables). The superstructure can be derived by the superspace formalism using (3+2)D or (3+1)D interpretations of the diffraction data. The structural relation to the subcell structure is discussed on the basis of a group-subgroup scheme. In the crystal structure strongly bonded [Pt 2 Al 4 ] δ- slabs are alternatingly stacked with ordered layers containing M atoms and Al 3 triangles.

  6. 1-Butyl-3-Methylimidazolium Tetrafluoroborate Film as a Highly Selective Sensing Material for Non-Invasive Detection of Acetone Using a Quartz Crystal Microbalance

    Directory of Open Access Journals (Sweden)

    Wenyan Tao

    2017-01-01

    Full Text Available Breath acetone serves as a biomarker for diabetes. This article reports 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4], a type of room temperature ionic liquid (RTIL, as a selective sensing material for acetone. The RTIL sensing layer was coated on a quartz crystal microbalance (QCM for detection. The sensing mechanism is based on a decrease in viscosity and density of the [bmim][BF4] film due to the solubilization of acetone leading to a positive frequency shift in the QCM. Acetone was detected with a linear range from 7.05 to 750 ppmv. Sensitivity and limit of detection were found to be 3.49 Hz/ppmv and 5.0 ppmv, respectively. The [bmim][BF4]-modified QCM sensor demonstrated anti-interference ability to commonly found volatile organic compounds in breath, e.g., isoprene, 1,2-pentadiene, d-limonene, and dl-limonene. This technology is useful for applications in non-invasive early diabetic diagnosis.

  7. Quantum incommensurate skyrmion crystals and commensurate to in-commensurate transitions in cold atoms and materials with spin-orbit couplings in a Zeeman field

    Science.gov (United States)

    Sun, Fadi; Ye, Jinwu; Liu, Wu-Ming

    2017-08-01

    In this work, we study strongly interacting spinor atoms in a lattice subject to a two dimensional (2d) anisotropic Rashba type of spin orbital coupling (SOC) and an Zeeman field. We find the interplay between the Zeeman field and the SOC provides a new platform to host rich and novel classes of quantum commensurate and in-commensurate phases, excitations and phase transitions. These commensurate phases include two collinear states at low and high Zeeman field, two co-planar canted states at mirror reflected SOC parameters respectively. Most importantly, there are non-coplanar incommensurate Skyrmion (IC-SkX) crystal phases surrounded by the four commensurate phases. New excitation spectra above all the five phases, especially on the IC-SKX phase are computed. Three different classes of quantum commensurate to in-commensurate transitions from the IC-SKX to its four neighboring commensurate phases are identified. Finite temperature behaviors and transitions are discussed. The critical temperatures of all the phases can be raised above that reachable by current cold atom cooling techniques simply by tuning the number of atoms N per site. In view of recent impressive experimental advances in generating 2d SOC for cold atoms in optical lattices, these new many-body phenomena can be explored in the current and near future cold atom experiments. Applications to various materials such as MnSi, {Fe}}0.5 {Co}}0.5Si, especially the complex incommensurate magnetic ordering in Li2IrO3 are given.

  8. Enrichment of Sc{sub 2}O{sub 3} and TiO{sub 2} from bauxite ore residues

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Bona; Li, Guanghui, E-mail: liguangh@csu.edu.cn; Luo, Jun; Ye, Qing; Liu, Mingxia; Peng, Zhiwei; Jiang, Tao

    2017-06-05

    Highlights: • Sc{sub 2}O{sub 3} and TiO{sub 2} from bauxite ore residue were successfully enriched. • H{sub 3}PO{sub 4} and NaOH were efficient for enriching Sc{sub 2}O{sub 3} and TiO{sub 2} by removing SiO{sub 2}, Al{sub 2}O{sub 3}, and partial Fe{sub 2}O{sub 3} and CaO. • Enriching mechanism of Sc{sub 2}O{sub 3} and TiO{sub 2} was explicitly explained. - Abstract: As a major byproduct generated in the alumina industry, bauxite ore residue is an important reserve of scandium and titanium. In this study, the feasibility and mechanism of enriching Sc{sub 2}O{sub 3} and TiO{sub 2} from a non-magnetic material, which was obtained from carbothermal reductive roasting and magnetic separation of bauxite ore residue, were investigated based on a two-step (acidic and alkali) leaching process. It was revealed that approximately 78% SiO{sub 2} and 30–40% of CaO, FeO and Al{sub 2}O{sub 3} were removed from a non-magnetic material with 0.0134 wt.% Sc{sub 2}O{sub 3} and 7.64 wt.% TiO{sub 2} by phosphoric acidic leaching, while about 95% Al{sub 2}O{sub 3} and P{sub 2}O{sub 5} were further leached by subsequent sodium hydroxide leaching of the upper-stream leach residue. A Sc{sub 2}O{sub 3}-, TiO{sub 2}- rich material containing 0.044 wt.% Sc{sub 2}O{sub 3} and 25.5 wt.% TiO{sub 2} was obtained, the recovery and the enrichment factor of Sc{sub 2}O{sub 3} and TiO{sub 2} were about 85% and 5, respectively. The enrichment of Sc{sub 2}O{sub 3} was attributed to higher pH (>3.3) of phosphoric acid solution than its dissolution pH{sup 0}, and the enrichment of TiO{sub 2} was mainly associated with the insoluble perovskite (CaTiO{sub 3}) in the acidic solution at ambient temperature. As Sc{sub 2}O{sub 3} and TiO{sub 2} cannot be dissolved in the alkali solution, they were further enriched in the leach residue.

  9. Self-assembled hybrid materials based on conjugated polymers and semiconductors nano-crystals for plastic solar cells; Architectures hybrides auto-assemblees a base de systemes polyconjugues et de nanocristaux de semi-conducteurs pour le photovoltaique plastique

    Energy Technology Data Exchange (ETDEWEB)

    Girolamo, J. de

    2007-11-15

    This work is devoted to the elaboration of self-assembled hybrid materials based on poly(3- hexyl-thiophene) and CdSe nano-crystals for photovoltaic applications. For that, complementary molecular recognition units were introduced as side chain groups on the polymer and at the nano-crystals' surface. Diamino-pyrimidine groups were introduced by post-functionalization of a precursor copolymer, namely poly(3-hexyl-thiophene-co-3- bromo-hexyl-thiophene) whereas thymine groups were introduced at the nano-crystals' surface by a ligand exchange reaction with 1-(6-mercapto-hexyl)thymine. However, due to their different solubility, the mixing of the two components by solution processes is difficult. A 'one-pot' procedure was developed, but this method led to insoluble aggregates without control of the hybrid composition. To overcome the solubility problem, the layer-by-layer method was used to prepare the films. This method allows a precise control of the deposition process. Experimental parameters were tested in order to evaluate their impact on the resulting film. The films morphology was investigated by microscopy and X-Ray diffraction techniques. These analyses reveal an interpenetrated structure of nano-crystals within the polymer matrix rather than a multilayered structure. Electrochemical and spectro electrochemical studies were performed on the hybrid material deposited by the LBL process. Finally the materials were tested in a solar cell configuration and the I=f(V) curves reveals a clear photovoltaic behaviour. (author)

  10. Design and realization of one-dimensional double hetero-structure photonic crystals for infrared-radar stealth-compatible materials applications

    International Nuclear Information System (INIS)

    Wang, Zhixun; Cheng, Yongzhi; Nie, Yan; Wang, Xian; Gong, Rongzhou

    2014-01-01

    In this paper, a new type one-dimensional (1D) double hetero-structure composite photonic crystal (CPC) for infrared-radar stealth-compatible materials applications was proposed and studied numerically and experimentally. First, based on transfer matrix method of thin-film optical theory, the propagation characteristics of the proposed structure comprising a stack of different alternating micrometer-thick layers of germanium and zinc sulfide were investigated numerically. Calculation results exhibit that this 1D single hetero-structure PC could achieve a flat high reflectivity gradually with increasing the number of the alternating media layers in a single broadband range. Then, based on principles of distributed Bragg reflector micro-cavity, a 1D double hetero-structure CPC comprising four PCs with thickness of 0.797 μm, 0.592 μm, 1.480 μm, and 2.114 μm, respectively, was proposed. Calculation results exhibit that this CPC could achieve a high reflectance of greater than 0.99 in the wavelength ranges of 3–5 μm and 8–14 μm and agreed well with experiment. Further experiments exhibit that the infrared emissivity of the proposed CPC is as low as 0.073 and 0.042 in the wavelength ranges of 3–5 μm and 8–12 μm, respectively. In addition, the proposed CPC can be used to construct infrared-radar stealth-compatible materials due to its high transmittance in radar wave band

  11. Design and realization of one-dimensional double hetero-structure photonic crystals for infrared-radar stealth-compatible materials applications

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhixun; Cheng, Yongzhi, E-mail: cyz0715@126.com; Nie, Yan; Wang, Xian; Gong, Rongzhou, E-mail: rzhgong@mail.hust.edu.cn [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2014-08-07

    In this paper, a new type one-dimensional (1D) double hetero-structure composite photonic crystal (CPC) for infrared-radar stealth-compatible materials applications was proposed and studied numerically and experimentally. First, based on transfer matrix method of thin-film optical theory, the propagation characteristics of the proposed structure comprising a stack of different alternating micrometer-thick layers of germanium and zinc sulfide were investigated numerically. Calculation results exhibit that this 1D single hetero-structure PC could achieve a flat high reflectivity gradually with increasing the number of the alternating media layers in a single broadband range. Then, based on principles of distributed Bragg reflector micro-cavity, a 1D double hetero-structure CPC comprising four PCs with thickness of 0.797 μm, 0.592 μm, 1.480 μm, and 2.114 μm, respectively, was proposed. Calculation results exhibit that this CPC could achieve a high reflectance of greater than 0.99 in the wavelength ranges of 3–5 μm and 8–14 μm and agreed well with experiment. Further experiments exhibit that the infrared emissivity of the proposed CPC is as low as 0.073 and 0.042 in the wavelength ranges of 3–5 μm and 8–12 μm, respectively. In addition, the proposed CPC can be used to construct infrared-radar stealth-compatible materials due to its high transmittance in radar wave band.

  12. Liquid Crystal Colloids

    Science.gov (United States)

    Smalyukh, Ivan I.

    2018-03-01

    Colloids are abundant in nature, science, and technology, with examples ranging from milk to quantum dots and the colloidal atom paradigm. Similarly, liquid crystal ordering is important in contexts ranging from biological membranes to laboratory models of cosmic strings and liquid crystal displays in consumer devices. Some of the most exciting recent developments in both of these soft matter fields emerge at their interface, in the fast-growing research arena of liquid crystal colloids. Mesoscale self-assembly in such systems may lead to artificial materials and to structures with emergent physical behavior arising from patterning of molecular order and nano- or microparticles into precisely controlled configurations. Liquid crystal colloids show exceptional promise for new discovery that may impinge on composite material fabrication, low-dimensional topology, photonics, and so on. Starting from physical underpinnings, I review the state of the art in this fast-growing field, with a focus on its scientific and technological potential.

  13. Gamma induced atom displacements in LYSO and LuYAP crystals as used in medical imaging applications

    Energy Technology Data Exchange (ETDEWEB)

    Piñera, Ibrahin, E-mail: ipinera@ceaden.edu.cu [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Cruz, Carlos M.; Abreu, Yamiel; Leyva, Antonio [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Van Espen, Piet [University of Antwerp, CGB, Groenenborgerlaan 171, 2020 Antwerpen (Belgium); Díaz, Angelina; Cabal, Ana E. [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Van Remortel, Nick [University of Antwerp, CGB, Groenenborgerlaan 171, 2020 Antwerpen (Belgium)

    2015-08-01

    The radiation damage, in terms of atom displacements, induced by gamma irradiation in LYSO and LuYAP crystals is presented. {sup 44}Sc, {sup 22}Na and {sup 48}V are used as gamma sources for this study. The energy of gammas from the electron–positron annihilation processes (511 keV) is also included in the study. The atom displacements distributions inside each material are calculated following the Monte Carlo assisted Classical Method introduced by the authors. This procedure also allows to study the atom displacements in-depth distributions inside each crystal. The atom displacements damage in LYSO crystals is found to be higher than in LuYAP crystals, mainly provoked by the displacements of silicon and oxygen atoms. But the difference between atom displacements produced in LYSO and LuYAP decreases when more energetic sources are used. On the other hand, the correlation between the atom displacements and energy deposition in-depth distributions is excellent. The atom displacements to energy deposition ratio is found to increases with more energetic photon sources. LYSO crystals are then more liable to the atom displacements damage than LuYAP crystals.

  14. Material modifications in lithium niobate and lithium tantalate crystals by ion irradiation; Materialmodifikationen in Lithiumniobat- und Lithiumtantalat-Kristallen durch Ionenbestrahlung

    Energy Technology Data Exchange (ETDEWEB)

    Raeth, Niels Lennart

    2017-02-17

    The artificially produced crystals lithium niobate (LiNbO{sub 3}) and the closely related lithium tantalate (LiTaO{sub 3}) are proven starting materials for producing active and passive devices that can guide, amplify, switch and process light. For this purpose, it is often necessary to be able to influence the refractive index of the substrate targeted, which is possible in addition to other methods by irradiation of the materials with fast light ions. In this work, lithium niobate and lithium tantalate crystals are irradiated with alpha particles, {sup 3}He ions, deuterons, and protons at projectile energies of up to 14 MeV / nucleon. Energy and crystal thickness are chosen so that the projectiles penetrate the entire sample and are not implanted. All isotopes responsible for the unwanted nuclear activation of the crystals due to the irradiation are relatively short-lived and overall the activation decreases fast enough to allow the safe handling of the irradiated samples after a storage period of a few days to a few weeks. The refractive index changes produced in lithium niobate and lithium tantalate by irradiation with the different projectiles are determined interferometrically and can also be measured by suitable choice of the sample geometry as a function of the ion penetration depth: In LiNbO{sub 3} the ordinary refractive index decreases, the extraordinary increases equally. In LiTaO{sub 3}, both the ordinary and the extraordinary refractive indices decrease as a result of the irradiation; the ordinary refractive index change is many times stronger than the extraordinary one. There is an enormous long-term stability at room temperature for both crystal systems: Even after eleven (LiNbO{sub 3}) or three (LiTaO{sub 3}) years, no decrease in the ion beam-induced refractive index change can be observed. The ion beam-induced refractive index changes are probably the result of atomic displacements such as vacancies, defect clusters or ''latent tracks

  15. Electronic structure and physical properties of ScN in pressure: density-functional theory calculations

    International Nuclear Information System (INIS)

    Guan Pengfei; Wang Chongyu; Yu Tao

    2008-01-01

    Local density functional is investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method for ScN in the hexagonal structure and the rocksalt structure and for hexagonal structures linking a layered hexagonal phase with wurtzite structure along a homogeneous strain transition path. It is found that the wurtzite ScN is unstable and the layered hexagonal phase, labelled as h o , in which atoms are approximately fivefold coordinated, is metastable, and the rocksalt ScN is stable. The electronic structure, the physical properties of the intermediate structures and the energy band structure along the transition are presented. It is found that the band gaps change from 4.0 to 1.0 eV continuously when c/a value varies from 1.68 to 1.26. It is noticeable that the study of ScN provides an opportunity to apply this kind of material (in wurtzite[h]-derived phase). (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  16. Natural moisturizing factors (NMF) in the stratum corneum (SC). I. Effects of lipid extraction and soaking.

    Science.gov (United States)

    Robinson, Marisa; Visscher, Marty; Laruffa, Angela; Wickett, Randy

    2010-01-01

    Natural moisturizing factor (NMF) is essential for appropriate stratum corneum hydration, barrier homeostasis, desquamation, and plasticity. It is formed from filaggrin proteolysis to small, hygroscopic molecules including amino acids. We hypothesized that common lipid extraction and soaking in water would alter the level of NMF in the upper SC and its biophysical properties. A novel method of measuring and quantifying the amino acid components of NMF is presented. Adhesive tapes were used to collect samples of the stratum corneum (SC) and were extracted with 6mM perchloric acid for analysis by reverse-phase HPLC. HPLC results were standardized to the amount of protein removed by the tapes. An increase in NMF was found with increased SC depth. Also, the combination of extraction and soaking was found to increase NMF loss relative to control or to extraction or soaking alone. Our results indicate that common skin care practices significantly influence the water binding materials in the upper SC. The findings have implications for the evaluation and formulation of skin care products.

  17. Methods for production of UNK SC-dipoles magnetic measurements

    International Nuclear Information System (INIS)

    Smirnov, N.L.

    1991-01-01

    Many SC-dipoles for UNK will require from the chosen magnetic measurement methods high accuracy and efficiency. The brief of using methods, their possibilities and analysis of their errors are given. The measurements results for a full-scale model of SC-dipole SPDM1 are presented. 5 refs.; 4 figs.; 4 tabs

  18. Piezoelectric characterization of Sc0.26Al0.74N layers on Si (001) substrates

    Science.gov (United States)

    Sinusía Lozano, M.; Pérez-Campos, A.; Reusch, M.; Kirste, L.; Fuchs, Th; Žukauskaitė, A.; Chen, Z.; Iriarte, G. F.

    2018-03-01

    Scandium aluminum nitride (ScAlN) films have been synthesized by pulsed-DC reactive magnetron sputtering. The degree of c-axis orientation as well as piezoelectric characteristics of the Sc0.26Al0.74N thin films grown on Si (001) at various discharge powers and processing pressures values have been investigated. According to x-ray diffraction (XRD) measurements, the texture of the as-grown Sc0.26Al0.74N thin films becomes more prominent in the [0001]-direction at the highest target power (700 W) and at the lowest processing pressure (4 mTorr). The piezoelectric response, as determined by measuring the d33 piezoelectric constant, shows a maximum value of -12 pC/N also at 4 mTorr and 700 W, confirming a direct correlation between the d33 piezoelectric constant and the degree of orientation in the [0001]-direction. The atomic concentration of Sc and Al in the synthesized ScAlN thin film, determined by secondary ion mass spectroscopy (SIMS), reveals a Sc concentration lower than in the ScAl alloy target. The piezoresponse force microscopy (PFM) shows homogeneous polarity distribution with no inversion domains. The piezoelectric layers have been used to fabricate and measure surface acoustic wave (SAW) resonators on a Sc0.26Al0.74N/Si (001) bilayer system with resonance frequency of 1.4 GHz and coupling coefficient of 0.567. Such characteristic in the frequency response reveals the potential of these materials for advanced SAW devices in applications such as next generation (5 G) wireless communication systems.

  19. single crystals

    Indian Academy of Sciences (India)

    2018-05-18

    May 18, 2018 ... Abstract. 4-Nitrobenzoic acid (4-NBA) single crystals were studied for their linear and nonlinear optical ... studies on the proper growth, linear and nonlinear optical ..... between the optic axes and optic sign of the biaxial crystal.

  20. Crystal Systems.

    Science.gov (United States)

    Schomaker, Verner; Lingafelter, E. C.

    1985-01-01

    Discusses characteristics of crystal systems, comparing (in table format) crystal systems with lattice types, number of restrictions, nature of the restrictions, and other lattices that can accidently show the same metrical symmetry. (JN)

  1. Structural, electrical and magnetic properties of Sc{sup 3+} doped Mn-Zn ferrite nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Angadi, V. Jagdeesha [Department of Physics, Bangalore University, Bangalore 560056 (India); Choudhury, Leema [Department of Physics, K.G. Reddy College of Engineering & Technology, Moinabad, 501504 Ranga Reddy, Telangana (India); Sadhana, K. [Department of Physics, University College of Science, Osmania University, Saifabad, Hyderabad 500004 (India); Liu, Hsiang-Lin [Department of Physics, National Taiwan Normal University, Taipei 11677, Taiwan (China); Sandhya, R. [Department of Physics, University College of Science, Osmania University, Hyderabad 500007 (India); Matteppanavar, Shidaling; Rudraswamy, B.; Pattar, Vinayak; Anavekar, R.V. [Department of Physics, Bangalore University, Bangalore 560056 (India); Praveena, K., E-mail: praveenaou@gmail.com [Department of Physics, National Taiwan Normal University, Taipei 11677, Taiwan (China)

    2017-02-15

    Sc{sup 3+} doped Mn{sub 0.5}Zn{sub 0.5}Sc{sub y}Fe{sub 2−y}O{sub 4} (y=0.00, 0.01, 0.03 and 0.05) nanoparticles were synthesized by solution combustion method using mixture of fuels were reported for the first time. The mixture of fuels plays an important role in obtaining nano crystalline, single phase present without any heat treatment. X-ray diffraction (XRD) results confirm the formation of the single-phase ferrites which crystallize in cubic spinel structure. The Fourier transform infrared spectra (FTIR) exhibit two prominent bands around 360 cm{sup −1} and 540 cm{sup −1} which are characteristic feature of spinel ferrite. The transmission electron microscope (TEM) micrographs revealed the nanoparticles to be nearly spherical in shape and of fairly uniform size. The room temperature impedance spectra (IS) and vibrating sample magnetometry (VSM) measurements were carried out in order to study the effect of doping (Sc{sup 3+}) on the characteristic properties of Mn-Zn ferrites. Further, the frequency dependent dielectric constant and dielectric loss were found to decrease with increasing multiple Sc{sup 3+} concentration. Nyquist plot in the complex impedance spectra suggest the existence of multiple electrical responses. Magnetic measurements reveals that saturation magnetization (M{sub s}), remnant magnetization (M{sub r}), magnetic moment (η{sub B}) and magnetic particle size (D{sub m}) increase with Sc{sup 3+} ion concentration up to x=0.03 and then decrease. The values of spin canting angle (α{sub Y-K}) and the magnetic particle size (D{sub m}) are found to be in the range of 68–75° and 10–19 nm respectively with Sc{sup 3+} concentration. The room temperature Mössbauer spectra were fitted with two sextets corresponding to ions at tetrahedral (A-) and octahedral (B-) sites confirms the spinel lattice. The ferromagnetic resonance (FMR) spectra's has shown that high concentration of scandium doping leads to an increase in dipolar interaction

  2. Dataset on the structure and thermodynamic and dynamic stability of Mo2ScAlC2 from experiments and first-principles calculations

    Directory of Open Access Journals (Sweden)

    Martin Dahlqvist

    2017-02-01

    Full Text Available The data presented in this paper are related to the research article entitled “Theoretical stability and materials synthesis of a chemically ordered MAX phase, Mo2ScAlC2, and its two-dimensional derivate Mo2ScC” (Meshkian et al. 2017 [1]. This paper describes theoretical phase stability calculations of the MAX phase alloy MoxSc3-xAlC2 (x=0, 1, 2, 3, including chemical disorder and out-of-plane order of Mo and Sc along with related phonon dispersion and Bader charges, and Rietveld refinement of Mo2ScAlC2. The data is made publicly available to enable critical or extended analyzes.

  3. Local structure of perovskites ReO3 and ScF3 with negative thermal expansion: interpretation beyond the quasiharmonic approximation

    International Nuclear Information System (INIS)

    Purans, Juris; Piskunov, Sergei; Bocharov, Dmitry; Kalinko, Aleksandr; Kuzmin, Alexei; Ali, Shehab E.; Rocca, Francesco

    2016-01-01

    We propose an approach beyond the quasiharmonic approximation for interpretation of EXAFS and XRD data and for ab initio calculations of electronic and vibration properties of materials with negative thermal expansion. Ab initio electronic structure and lattice dynamics calculations for cubic and distorted ScF 3 were performed using the linear combination of atomic orbitals (LCAO) method. The band gap obtained in calculations for ScF 3 is equal to 10.54 eV and agree well with the expected value. The calculated infrared spectra of F displaced (FD) cubic ScF 3 allow us to predict that its mean Sc-F-Sc angle within NTE deviates from 180 degree. (paper)

  4. Design, Discovery and Growth of Novel Materials For Basic Research: An Urgent U.S. Need Report on the DOE/BES Workshop: “Future Directions of Design, Discovery and Growth of Single Crystals for Basic Research”

    Energy Technology Data Exchange (ETDEWEB)

    Canfield, Paul [Iowa State Univ., Ames, IA (United States); Ames Lab., Ames, IA (United States)

    2003-10-10

    The design, discovery and growth of novel materials, especially in single crystal form, represents a national core competency that is essential for scientific progress and long-term economic growth. Indeed, many of the major discoveries of condensed matter science during the last fifty years have been made possible by the discovery of new materials. Recently revealed phenomena such as high Tc superconductivity and the quantum Hall effect, for example, represent new states of matter that emerge from the collective behavior of large numbers of electronic, magnetic and lattice degrees of freedom. Such materials challenge our fundamental understanding of matter and provide novel materials functionality. New materials also lie at the core of many new and existing technologies, such as semiconductor electronics, solid state lasers, radiation detectors, compact disk storage, both cellular and optical communications, solar cells, fuel cells and catalysts. Such materials further hold the promise for new technologies ranging from efficient indoor and traffic lighting, to multi-component data storage, integrated bioelectronic sensors, and thermoelectric power generation. Single crystals are often required to achieve a materials’ full functionality as well as to completely elucidate its properties. A Department-of-Energy-sponsored workshop was held on Oct. 10-12, 2003 in Ames, Iowa with the purpose of assessing the state of novel materials and crystal growth in the U.S. Leaders of broad areas of synthesis and condensed matter science reviewed present U.S. strengths, levels of support, and competition from abroad. The principal finding of the workshop is that the current U.S. infrastructure and personnel levels are insufficient to meet the growing demand for high quality, specialized samples, and to maintain international competitiveness in an area vital to the nation’s condensed matter science enterprise. We further risk being unable to fully exploit the nation’s world

  5. Sc-Decorated WS_2 Nanoribbons as Hydrogen Storage Media

    International Nuclear Information System (INIS)

    Xu Bin; Wang Yu-Sheng; Zhang Jing; Song Na-Hong; Li Meng; Yi Lin

    2016-01-01

    The hydrogen storage behavior of Sc-decorated WS_2 monolayer and WS_2 nanoribbons is systematically studied by using first principles calculations based on the density functional theory. The present results indicate that an Sc-decorated WS_2 monolayer is not suitable for storing hydrogen due to the weak interaction between the monolayer WS_2 sheet and the Sc atoms. It is found that both the hybridization mechanism and the Coulomb attraction make the Sc atoms stably adsorb on the edges of WS_2 nanoribbons without clustering. The 2Sc/WS_2 NRs system can adsorb at most eight H_2 molecules with average adsorption energy of 0.20 eV/H_2. The results show that the desorption of H_2 is possible by lowering the pressure or by increasing the temperature. (paper)

  6. Perylene bisimide hydrogels and lyotropic liquid crystals with temperature-responsive color change† †Electronic supplementary information (ESI) available: Detailed procedures and results for all reported experiments, along with synthetic details for PBI 1. See DOI: 10.1039/c6sc02249a Click here for additional data file.

    Science.gov (United States)

    Görl, Daniel; Soberats, Bartolome; Herbst, Stefanie; Stepanenko, Vladimir

    2016-01-01

    The self-assembly of perylene bisimide (PBI) dyes bearing oligo ethylene glycol (OEG) units in water affords responsive functional nanostructures characterized by their lower critical solution temperature (LCST). Tuning of the LCST is realized by a supramolecular approach that relies on two structurally closely related PBI–OEG molecules. The two PBIs socially co-assemble in water and the resulting nanostructures exhibit a single LCST in between the transition temperatures of the aggregates formed by single components. This permits to precisely tune the transition from a hydrogel to a lyotropic liquid crystal state at temperatures between 26 and 51 °C by adjusting the molar fraction of the two PBIs. Owing to concomitant changes in PBI–PBI interactions this phase transition affords a pronounced color change with “fluorescence-on” response that can be utilized as a smart temperature sensory system. PMID:28451124

  7. Design and Structural Analysis for the Vacuum Vessel of Superconducting Tokamak JT-60SC

    International Nuclear Information System (INIS)

    Kudo, Y.; Sakurai, S.; Masaki, K.; Urata, K.; Sasajima, T.; Matsukawa, M.; Sakasai, A.; Ishida, S.

    2003-01-01

    A modification of the JT-60 is planned to be a superconducting tokamak (JT-60SC) in order to establish steady-state operation of high beta plasma for 100 s, and to ensure the applicability of ferritic steel as a reduced activation material for reactor relevant break-even class plasmas. This paper describes the detailed design of the vacuum vessel, which has a unique structure for cost effective manufacturing, as well as structural analysis results for a feasibility study

  8. Biomimetic and Aggregation-Driven Crystallization Route for Room-Temperature Material Synthesis: Growth of β-Ga2O3 Nanoparticles Using Peptide Assemblies as Nanoreactors

    Science.gov (United States)

    Lee, Sang-Yup; Gao, Xueyun; Matsui, Hiroshi

    2008-01-01

    The room temperature synthesis of β-Ga2O3 nanocrystal was examined by coupling two biomimetic crystallization techniques, the enzymatic peptide nano-assembly templating and the aggregation-driven crystallization. The catalytic template of peptide assembly nucleated and mineralized primary β-Ga2O3 crystals, and then fused them to grow single-crystalline and monodisperse nanoparticles in the cavity of the peptide assembly at room temperature. In this work, the peptide assembly was exploited as a nano-reactor with an enzymatic functionality catalyzing the hydrolysis of gallium precursors. In addition, the characteristic ring-structure of peptide assembly is expected to provide an efficient dehydration pathway and the crystallization control over the surface tension, which are advantageous for the β-Ga2O3 crystal growth. This multifunctional peptide assembly could be applied for syntheses of a variety of nanomaterials that are kinetically difficult to grow at room temperature. PMID:17302413

  9. Crystal Fields in Dilute Rare-Earth Metals Obtained from Magnetization Measurements on Dilute Rare-Earth Alloys

    DEFF Research Database (Denmark)

    Touborg, P.; Høg, J.

    1974-01-01

    Crystal field parameters of Tb, Dy, and Er in Sc, Y, and Lu are summarized. These parameters are obtained from magnetization measurements on dilute single crystals, and successfully checked by a number of different methods. The crystal field parameters vary unpredictably with the rare-earth solute....... B40, B60, and B66 are similar in Y and Lu. Crystal field parameters for the pure metals Tb, Dy, and Er are estimated from the crystal fields in Y and Lu....

  10. Process of DC-SC photoinjector

    International Nuclear Information System (INIS)

    Xiang Rong; Zhao Kui; Quan Shengwen; Ding Yuantao; Zhang Baocheng; Lu Xiangyang; Lin Lin; Wang Lifang; Chen Jiaer

    2004-01-01

    The DC-SC photoinjector at Beijing University is designed to provide an electron beam of average current 1 mA with the energy of 2-3 MeV and normalized rms transverse emittance of 3πmm-mrad at an 81.25 MHz repetition rate. The test facility has been completely installed in our lab. In this paper some of the ongoing experimental activities are summarized. First results from the cold test of superconducting cavity have been presented. According to the results, authors have improved the main coupler to repress the multipacting. The beam test of 100 μA on the DC gun has been done, photocathode preparation chamber can produce Cs 2 Te cathodes, and the laser system can provide laser pulse with 266 nm wavelength. The time synchronization between laser and RF power has been achieved by a timing stabilizer. A new method using 'due image pattern' of Cherenkov radiation will be commissioned to measure beam emittance. The next step is under way, to prepare all the equipment for the beam tests. (authors)

  11. Effective single chain antibody (scFv) concentrations in vivo via adenoviral vector mediated expression of secretory scFv

    NARCIS (Netherlands)

    Arafat, WO; Gomez-Navarro, J; Buchsbaum, DJ; Xiang, J; Casado, E; Barker, SD; Mahasreshti, PJ; Haisma, HJ; Barnes, MN; Siegal, GP; Alvarez, RD; Hemminki, A; Nettelbeck, DM; Curiel, DT

    Single chain antibodies (scFv) represent powerful interventional agents for the achievement of targeted therapeutics. The practical utility of these agents have been limited, however, by difficulties related to production of recombinant scFv and the achievement of effective and sustained levels of

  12. Fiscal 2000 research achievement report on the development of super-advanced liquid crystal technology for energy use rationalization. Development promotion project for super-advanced electronic technology - Design, control, analysis, etc., of electronic materials having novel functions; 2000 nendo energy shiyo gorika chosentan ekisho gijutsu kaihatsu seika hokokusho. Chosentan denshi gijutsu kaihatsu sokushin jigyo (shinkino denshi zairyo sekkei seigyo bunseki nado gijutsu)

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-04-01

    Efforts are focused on the verification of target devices under the respective subjects, and activities are conducted with the development system reinforced. Three newly proposed reflection type liquid crystal devices achieve the target specifications of a reflection factor of 60% or higher and a contrast ratio of 15:1 or higher. Studies are conducted involving the five fields of (1) multilayer reflection devices, (2) memory retention liquid crystal devices, (3) single pixel color devices, (4) directional reflection devices, and (5) joint research. Research and development in field (1) covers ultra-anisotropic optical materials, ultrahigh reliability host liquid crystal materials for guest-host liquid crystals - mixed system, low voltage driven/high load holding liquid crystal compound systems, and new liquid crystal molecule orientation control technology; in field (2), low temperature fabrication of ferroelectric thin film, and ultrahigh purity high reliability liquid crystal compounds; in field (3), materials capable of controlling optical interference and higher order light scattering, photoregulation devices, highly birefringent liquid crystal materials - mixed system, and ultrahigh efficiency light scattering liquid crystal compounds; and, in field (4), multi-dimensional anisotropic structure fabrication technology and ultra-anisotropic optical materials. (NEDO)

  13. Investigation of Sc(3) state in nonaqueous solutions by the 45Sc NMR method of high permission

    International Nuclear Information System (INIS)

    Buslaev, Yu.A.; Kirakosyan, G.A.; Tarasov, V.P.

    1980-01-01

    The ScCl 3 + CH 3 CN and ScCl 3 + KNCS + CH 3 CN solutions have been studied by a high-resolution NMR 45 Sc method. It has been estimated that in acetonitrile solutions, with competing ligands of Cl - and NCS - being available, hexacoordination Sc(3) complexes of various compositions are formed, and solvent molecules also take part in formation of the coordination sphere of scandium. Chemical shifts in NMR 45 Sc signals depend linearly on the number of chlor- or NCS - ions bound to scandium(3). This made it possible to determine the value of chemical shifts in signals of all 28 potential complexes formed in a system with three competing ligands

  14. Cyclotron production of {sup 43}Sc for PET imaging

    Energy Technology Data Exchange (ETDEWEB)

    Walczak, Rafał [Institute of Nuclear Chemistry and Technology, Dorodna 16, 03-195 Warsaw (Poland); Krajewski, Seweryn [Synektik S.A., Research and Development Center, Warsaw (Poland); Szkliniarz, Katarzyna [Department of Nuclear Physics, University of Silesia, Katowice (Poland); Sitarz, Mateusz [Heavy Ion Laboratory, University of Warsaw, Warsaw (Poland); Abbas, Kamel [Nuclear Security Unit, Joint Research Centre, Institute for Transuranium Elements, European Commission, Ispra (Italy); Choiński, Jarosław; Jakubowski, Andrzej; Jastrzębski, Jerzy [Heavy Ion Laboratory, University of Warsaw, Warsaw (Poland); Majkowska, Agnieszka [Institute of Nuclear Chemistry and Technology, Dorodna 16, 03-195 Warsaw (Poland); Simonelli, Federica [Nuclear Decommissioning Unit, Joint Research Centre, Ispra Site Management Directorate, European Commission, Ispra (Italy); Stolarz, Anna; Trzcińska, Agnieszka [Heavy Ion Laboratory, University of Warsaw, Warsaw (Poland); Zipper, Wiktor [Department of Nuclear Physics, University of Silesia, Katowice (Poland); Bilewicz, Aleksander [Institute of Nuclear Chemistry and Technology, Dorodna 16, 03-195 Warsaw (Poland)

    2015-12-04

    Recently, significant interest in {sup 44}Sc as a tracer for positron emission tomography (PET) imaging has been observed. Unfortunately, the co-emission by {sup 44}Sc of high-energy γ rays (E{sub γ} = 1157, 1499 keV) causes a dangerous increase of the radiation dose to the patients and clinical staff. However, it is possible to produce another radionuclide of scandium—{sup 43}Sc—having properties similar to {sup 44}Sc but is characterized by much lower energy of the concurrent gamma emissions. This work presents the production route of {sup 43}Sc by α irradiation of natural calcium, its separation and purification processes, and the labeling of [DOTA,Tyr3] octreotate (DOTATATE) bioconjugate. Natural CaCO{sub 3} and enriched [{sup 40}Ca]CaCO{sub 3} were irradiated with alpha particles for 1 h in an energy range of 14.8–30 MeV at a beam current of 0.5 or 0.25 μA. In order to find the optimum method for the separation of {sup 43}Sc from irradiated calcium targets, three processes previously developed for {sup 44}Sc were tested. Radiolabeling experiments were performed with DOTATATE radiobioconjugate, and the stability of the obtained {sup 43}Sc-DOTATATE was tested in human serum. Studies of {sup nat}CaCO{sub 3} target irradiation by alpha particles show that the optimum alpha particle energies are in the range of 24–27 MeV, giving 102 MBq/μA/h of {sup 43}Sc radioactivity which creates the opportunity to produce several GBq of {sup 43}Sc. The separation experiments performed indicate that, as with {sup 44}Sc, due to the simplicity of the operations and because of the chemical purity of the {sup 43}Sc obtained, the best separation process is when UTEVA resin is used. The DOTATATE conjugate was labeled by the obtained {sup 43}Sc with a yield >98 % at elevated temperature. Tens of GBq activities of {sup 43}Sc of high radionuclidic purity can be obtainable for clinical applications by irradiation of natural calcium with an alpha beam.

  15. Monomial Crystals and Partition Crystals

    Science.gov (United States)

    Tingley, Peter

    2010-04-01

    Recently Fayers introduced a large family of combinatorial realizations of the fundamental crystal B(Λ0) for ^sln, where the vertices are indexed by certain partitions. He showed that special cases of this construction agree with the Misra-Miwa realization and with Berg's ladder crystal. Here we show that another special case is naturally isomorphic to a realization using Nakajima's monomial crystal.

  16. Ultimate internal pressure capacity assessment of SC structure

    International Nuclear Information System (INIS)

    Park, Hyungkui; Choi, Inkil

    2013-01-01

    An SC structure applied to a containment building can be quite effective. However, an SC structure cannot be applied to a containment building, because its internal pressure resistance performance has not been verified. The containment building, which undergoes ultimate internal pressure, resists the internal pressure through a pre-stress tendon. It is hard to apply a tendon to an SC structure because of its structural characteristics. Therefore, the internal pressure resistance performance of the SC structure itself should be ensured to apply it to a structure with internal pressure resistance. In this study, the suitability of an SC structure as a substitution for the tendon of a pressure resistant structure was evaluated. A containment structure model was used in this study, because it was representative structures that resistance of ultimate internal pressure be required. In this study, a nonlinear analysis was performed to evaluate and compare the behaviors of tendon model and SC structure model. By comparing the internal pressure-displacement according to the structure type, the stability of SC structure model was assessed

  17. Dissolution kinetics of metal coating in HNO3-scCO2 micro-emulsion using QCM

    International Nuclear Information System (INIS)

    Ju, Min Su; Koh, Moon Sung; Park, Kwang Heon; Kim, Hak Won; Kim, Hong Doo

    2005-01-01

    Radioactive contamination is rising because of an increasing number of nuclear facilities. Among the decontamination methods, the surface decontamination method is especially important. Conventional chemical decontamination methods for surface decontamination cause not only secondary radioactive wastes, but also corrosion and defects on the surface of equipment. Therefore, we require a new surface decontamination method. If CO 2 is used as a solvent for decontamination of radioactive contaminants, the wastes can be effectively reduced by recycling the CO 2 . Supercritical fluid has many good points as a process solvent, including low viscosity, negligible surface tension, and variable selectivity. And supercritical fluids have physical properties of both liquid and gas, such as good penetration with a high dissolution capability. A number of workers applied supercritical CO 2 solvent for cleaning precision devices and waste treatments. Since supercritical CO 2 has its mild critical point at 31 .deg. C and 73.8bar as well as low surface tension, it is a potentially suitable cleaning substance. The operational costs of CO 2 cleaning were estimated to be lower than other cleaning processes. However supercritical CO 2 has limited solubility about contaminated material. To tackle these problem, we researched various aspects of surfactants. Quartz Crystal Microbalance (QCM) is a thickness-shear mode resonator in which the acoustic wave propagates in a direction perpendicular to the crystal surface. The use of QCM as a chemical sensor has its origins in the work of Sauerbrey and King who carried out micro-gravimetric measurements in the gas phase. It was assumed in their work that a thin film applied to a thickness-shear-mode device could be treated in sensor measurements, and a shift in the resonance frequency of an oscillating AT-cut crystal could be correlated quantitatively with a change in mass added to or removed from the surface of the device. Now, the QCM

  18. Effects of hydroxyurea treatment for patients with hemoglobin SC disease.

    Science.gov (United States)

    Luchtman-Jones, Lori; Pressel, Sara; Hilliard, Lee; Brown, R Clark; Smith, Mary G; Thompson, Alexis A; Lee, Margaret T; Rothman, Jennifer; Rogers, Zora R; Owen, William; Imran, Hamayun; Thornburg, Courtney; Kwiatkowski, Janet L; Aygun, Banu; Nelson, Stephen; Roberts, Carla; Gauger, Cynthia; Piccone, Connie; Kalfa, Theodosia; Alvarez, Ofelia; Hassell, Kathryn; Davis, Barry R; Ware, Russell E

    2016-02-01

    Although hemoglobin SC (HbSC) disease is usually considered less severe than sickle cell anemia (SCA), which includes HbSS and HbS/β(0) -thalassemia genotypes, many patients with HbSC experience severe disease complications, including vaso-occlusive pain, acute chest syndrome, avascular necrosis, retinopathy, and poor quality of life. Fully 20 years after the clinical and laboratory efficacy of hydroxyurea was proven in adult SCA patients, the safety and utility of hydroxyurea treatment for HbSC patients remain unclear. Recent NHLBI evidence-based guidelines highlight this as a critical knowledge gap, noting HbSC accounts for ∼30% of sickle cell patients within the United States. To date, only 5 publications have reported short-term, incomplete, or conflicting laboratory and clinical outcomes of hydroxyurea treatment in a total of 71 adults and children with HbSC. We now report on a cohort of 133 adult and pediatric HbSC patients who received hydroxyurea, typically for recurrent vaso-occlusive pain. Hydroxyurea treatment was associated with a stable hemoglobin concentration; increased fetal hemoglobin (HbF) and mean corpuscular volume (MCV); and reduced white blood cell count (WBC), absolute neutrophil count (ANC), and absolute reticulocyte count (ARC). Reversible cytopenias occurred in 22% of patients, primarily neutropenia and thrombocytopenia. Painful events were reduced with hydroxyurea, more in patients >15 years old. These multicenter data support the safety and potentially salutary effects of hydroxyurea treatment for HbSC disease; however, a multicenter, placebo-controlled, Phase 3 clinical trial is needed to determine if hydroxyurea therapy has efficacy for patients with HbSC disease. © 2015 Wiley Periodicals, Inc.

  19. Pascal-SC a computer language for scientific computation

    CERN Document Server

    Bohlender, Gerd; von Gudenberg, Jürgen Wolff; Rheinboldt, Werner; Siewiorek, Daniel

    1987-01-01

    Perspectives in Computing, Vol. 17: Pascal-SC: A Computer Language for Scientific Computation focuses on the application of Pascal-SC, a programming language developed as an extension of standard Pascal, in scientific computation. The publication first elaborates on the introduction to Pascal-SC, a review of standard Pascal, and real floating-point arithmetic. Discussions focus on optimal scalar product, standard functions, real expressions, program structure, simple extensions, real floating-point arithmetic, vector and matrix arithmetic, and dynamic arrays. The text then examines functions a

  20. Synthesis and structure of a new layered oxyfluoride Sr{sub 2}ScO{sub 3}F with photocatalytic property

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yongkun; Tang, Kaibin, E-mail: kbtang@ustc.edu.cn; Zhu, Baichuan; Wang, Dake; Hao, Qiaoyan; Wang, Yan

    2015-05-15

    Highlights: • A new oxyfluoride compound Sr{sub 2}ScO{sub 3}F was prepared by a solid state route. • The structure of this compound was determined by GSAS program based on XRD data. • The photocatalytic property was investigated under UV irradiation. - Abstract: A new Ruddlesden–Popper type scandium oxyfluoride, Sr{sub 2}ScO{sub 3}F, was synthesized by a conventional solid state reaction route. The detailed structure of Sr{sub 2}ScO{sub 3}F was investigated using X-ray diffraction (XRD) and selected area electron diffraction (SAED). The disorder distribution pattern of fluorine anions was determined by the {sup 19}F nuclear magnetic resonance (NMR) spectrum. The compound crystallizes in a K{sub 2}NiF{sub 4}-type tetragonal structure (space group I4/mmm) with O/F anions disordered over the apical sites of the perovskite-type Sc(O,F){sub 6} octahedron layers interleaved with strontium cations. Ultraviolet–visible (UV–vis) diffuse reflection spectrum of the prepared Sr{sub 2}ScO{sub 3}F indicates that it has an absorption in the UV–vis region. The photocatalytic activity of Sr{sub 2}ScO{sub 3}F was further investigated, showing an effective photodegradation of Rhodamine-B (RB) within 2 h under UV light irradiation.

  1. Isothermal cross-sections of Hf-Sc-Ga(800 deg C) and Hf-Ti-Ga (750 deg C) phase diagrams

    International Nuclear Information System (INIS)

    Markiv, V.Ya.; Belyavina, N.N.

    1981-01-01

    Isothermal cross sections of Hf-Sc-Ga (800 deg C) and Hf-Ti-Ga (750 deg C) state diagrams are plotted. The existence of two ternary Hfsub(0.1-0.8)Scsub(0.9)-sub(0.2)Ga and Hfsub(0.8)Scsub(0.2)Gasub(3) phases is stated in the Hf-Sc-Ga system. The crystal structure of these compounds investigated by the powder method belongs to the structural α-MoB and ZrAl 3 types respectively. Continuous rows of (Hf, Sc 5 Ga 5 , (Hf, Ti)Ga 3 and (Hf, Ti)Ga 2 solid solutions are formed in the investigated systems. Essential quantity of the third component dissolve binary Sc 5 Ga 4 , Sc 2 Ga 3 (15 and 30 at % Hf respectively), Hf 5 Ga 4 , HfGa 2 (20, 10 at. % Sc), Hf 5 Ga 4 , HfGa, Hf 5 Ga 3 , Hf 2 Ga 3 (48, 30, 46, 20 at. % Ti) gallides [ru

  2. Phononic crystals fundamentals and applications

    CERN Document Server

    Adibi, Ali

    2016-01-01

    This book provides an in-depth analysis as well as an overview of phononic crystals. This book discusses numerous techniques for the analysis of phononic crystals and covers, among other material, sonic and ultrasonic structures, hypersonic planar structures and their characterization, and novel applications of phononic crystals. This is an ideal book for those working with micro and nanotechnology, MEMS (microelectromechanical systems), and acoustic devices. This book also: Presents an introduction to the fundamentals and properties of phononic crystals Covers simulation techniques for the analysis of phononic crystals Discusses sonic and ultrasonic, hypersonic and planar, and three-dimensional phononic crystal structures Illustrates how phononic crystal structures are being deployed in communication systems and sensing systems.

  3. Issues associated with the metalorganic chemical vapor deposition of ScGaN and YGaN alloys.

    Energy Technology Data Exchange (ETDEWEB)

    Koleske, Daniel David; Knapp, James Arthur; Lee, Stephen Roger; Crawford, Mary Hagerott; Creighton, James Randall; Cross, Karen Charlene; Thaler, Gerald

    2009-07-01

    The most energy efficient solid state white light source will likely be a combination of individually efficient red, green, and blue LED. For any multi-color approach to be successful the efficiency of deep green LEDs must be significantly improved. While traditional approaches to improve InGaN materials have yielded incremental success, we proposed a novel approach using group IIIA and IIIB nitride semiconductors to produce efficient green and high wavelength LEDs. To obtain longer wavelength LEDs in the nitrides, we attempted to combine scandium (Sc) and yttrium (Y) with gallium (Ga) to produce ScGaN and YGaN for the quantum well (QW) active regions. Based on linear extrapolation of the proposed bandgaps of ScN (2.15 eV), YN (0.8 eV) and GaN (3.4 eV), we expected that LEDs could be fabricated from the UV (410 nm) to the IR (1600 nm), and therefore cover all visible wavelengths. The growth of these novel alloys potentially provided several advantages over the more traditional InGaN QW regions including: higher growth temperatures more compatible with GaN growth, closer lattice matching to GaN, and reduced phase separation than is commonly observed in InGaN growth. One drawback to using ScGaN and YGaN films as the active regions in LEDs is that little research has been conducted on their growth, specifically, are there metalorganic precursors that are suitable for growth, are the bandgaps direct or indirect, can the materials be grown directly on GaN with a minimal defect formation, as well as other issues related to growth. The major impediment to the growth of ScGaN and YGaN alloys was the low volatility of metalorganic precursors. Despite this impediment some progress was made in incorporation of Sc and Y into GaN which is detailed in this report. Primarily, we were able to incorporate up to 5 x 10{sup 18} cm{sup -3} Y atoms into a GaN film, which are far below the alloy concentrations needed to evaluate the YGaN optical properties. After a no-cost extension was

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-06-15

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

  5. Infectivity-associated PrP(Sc) and disease duration-associated PrP(Sc) of mouse BSE prions.

    Science.gov (United States)

    Miyazawa, Kohtaro; Okada, Hiroyuki; Masujin, Kentaro; Iwamaru, Yoshifumi; Yokoyama, Takashi

    2015-01-01

    Disease-related prion protein (PrP(Sc)), which is a structural isoform of the host-encoded cellular prion protein, is thought to be a causative agent of transmissible spongiform encephalopathies. However, the specific role of PrP(Sc) in prion pathogenesis and its relationship to infectivity remain controversial. A time-course study of prion-affected mice was conducted, which showed that the prion infectivity was not simply proportional to the amount of PrP(Sc) in the brain. Centrifugation (20,000 ×g) of the brain homogenate showed that most of the PrP(Sc) was precipitated into the pellet, and the supernatant contained only a slight amount of PrP(Sc). Interestingly, mice inoculated with the obtained supernatant showed incubation periods that were approximately 15 d longer than those of mice inoculated with the crude homogenate even though both inocula contained almost the same infectivity. Our results suggest that a small population of fine PrP(Sc) may be responsible for prion infectivity and that large, aggregated PrP(Sc) may contribute to determining prion disease duration.

  6. Solid-State NMR Spectroscopy Proves the Presence of Penta-coordinated Sc Sites in MIL-100(Sc).

    Science.gov (United States)

    Giovine, Raynald; Volkringer, Christophe; Ashbrook, Sharon E; Trébosc, Julien; McKay, David; Loiseau, Thierry; Amoureux, Jean-Paul; Lafon, Olivier; Pourpoint, Frédérique

    2017-07-18

    Advanced solid-state NMR methods and first-principles calculations demonstrate for the first time the formation of penta-coordinated scandium sites. These coordinatively unsaturated sites were shown during the thermal activation of scandium-based metal-organic frameworks (MOFs). A 45 Sc NMR experiment allows their specific observation in activated Sc 3 BTB 2 (H 3 BTB=1,3,5-tris(4-carboxyphenyl)benzene) and MIL-100(Sc) MOFs. The assignment of the ScO 5 groups is supported by the DFT calculations of NMR parameters. The presence of ScO 5 Lewis acid sites in MIL-100(Sc) explains furthermore its catalytic activity. The first NMR experiment to probe 13 C- 45 Sc distances is also introduced. This advanced solid-state NMR pulse sequence allows the demonstration of the shrinkage of the MIL-100(Sc) network when the activation temperature is raised. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. RNA Crystallization

    Science.gov (United States)

    Golden, Barbara L.; Kundrot, Craig E.

    2003-01-01

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

  8. Precipitation in cold-rolled Al-Sc-Zr and Al-Mn-Sc-Zr alloys prepared by powder metallurgy

    KAUST Repository

    Vlach, Martin

    2013-12-01

    The effects of cold-rolling on thermal, mechanical and electrical properties, microstructure and recrystallization behaviour of the AlScZr and AlMnScZr alloys prepared by powder metallurgy were studied. The powder was produced by atomising in argon with 1% oxygen and then consolidated by hot extrusion at 350 C. The electrical resistometry and microhardness together with differential scanning calorimetry measurements were compared with microstructure development observed by transmission and scanning electron microscopy, X-ray diffraction and electron backscatter diffraction. Fine (sub)grain structure developed and fine coherent Al3Sc and/or Al3(Sc,Zr) particles precipitated during extrusion at 350 C in the alloys studied. Additional precipitation of the Al3Sc and/or Al3(Sc,Zr) particles and/or their coarsening was slightly facilitated by the previous cold rolling. The presence of Sc,Zr-containing particles has a significant antirecrystallization effect that prevents recrystallization at temperatures minimally up to 420 C. The precipitation of the Al6Mn- and/or Al 6(Mn,Fe) particles of a size ~ 1.0 μm at subgrain boundaries has also an essential antirecrystallization effect and totally suppresses recrystallization during 32 h long annealing at 550 C. The texture development of the alloys seems to be affected by high solid solution strengthening by Mn. The precipitation of the Mn-containing alloy is highly enhanced by a cold rolling. The apparent activation energy of the Al3Sc particles formation and/or coarsening and that of the Al6Mn and/or Al 6(Mn,Fe) particle precipitation in the powder and in the compacted alloys were determined. The cold deformation has no effect on the apparent activation energy values of the Al3Sc-phase and the Al 6Mn-phase precipitation. © 2013 Elsevier Inc.

  9. Precipitation in cold-rolled Al-Sc-Zr and Al-Mn-Sc-Zr alloys prepared by powder metallurgy

    KAUST Repository

    Vlach, Martin; Stulí ková , Ivana; Smola, Bohumil; Kekule, Tomá š; Kudrnová , Hana; Daniš, Stanislav; Gemma, Ryota; Očená šek, Vladivoj; Má lek, Jaroslav; Tanprayoon, Dhritti; Neubert, Volkmar

    2013-01-01

    The effects of cold-rolling on thermal, mechanical and electrical properties, microstructure and recrystallization behaviour of the AlScZr and AlMnScZr alloys prepared by powder metallurgy were studied. The powder was produced by atomising in argon with 1% oxygen and then consolidated by hot extrusion at 350 C. The electrical resistometry and microhardness together with differential scanning calorimetry measurements were compared with microstructure development observed by transmission and scanning electron microscopy, X-ray diffraction and electron backscatter diffraction. Fine (sub)grain structure developed and fine coherent Al3Sc and/or Al3(Sc,Zr) particles precipitated during extrusion at 350 C in the alloys studied. Additional precipitation of the Al3Sc and/or Al3(Sc,Zr) particles and/or their coarsening was slightly facilitated by the previous cold rolling. The presence of Sc,Zr-containing particles has a significant antirecrystallization effect that prevents recrystallization at temperatures minimally up to 420 C. The precipitation of the Al6Mn- and/or Al 6(Mn,Fe) particles of a size ~ 1.0 μm at subgrain boundaries has also an essential antirecrystallization effect and totally suppresses recrystallization during 32 h long annealing at 550 C. The texture development of the alloys seems to be affected by high solid solution strengthening by Mn. The precipitation of the Mn-containing alloy is highly enhanced by a cold rolling. The apparent activation energy of the Al3Sc particles formation and/or coarsening and that of the Al6Mn and/or Al 6(Mn,Fe) particle precipitation in the powder and in the compacted alloys were determined. The cold deformation has no effect on the apparent activation energy values of the Al3Sc-phase and the Al 6Mn-phase precipitation. © 2013 Elsevier Inc.

  10. Electronically- and crystal-structure-driven magnetic structures and physical properties of RScSb (R = rare earth) compounds. A neutron diffraction, magnetization and heat capacity study

    Energy Technology Data Exchange (ETDEWEB)

    Ritter, C [Institut Lauer-Langevin, Grenoble (France); Dhar, S K [TIFR, Mumbai (India); Kulkarni, R [TIFR, Mumbai (India); Provino, A [Inst. SPIN-CNR, Genova (Italy); Univ. of Genova (Italy); Ames Lab., Ames, IA (United States); Paudyal, Durga [Ames Lab., Ames, IA (United States); Manfrinetti, Pietro [Inst. SPIN-CNR, Genova (Italy); Univ. of Genova (Italy); Ames Lab., Ames, IA (United States); Gschneidner, Karl A [Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

    2014-08-14

    The synthesis of the new equiatomic RScSb ( R = La-Nd, Sm, Gd-Tm, Lu, Y) compounds has been recently reported. These rare earth compounds crystallize in two different crystal structures, adopting the CeScSi-type ( I 4/ mmm) for the lighter R (La-Nd, Sm) and the CeFeSi-type (P4 /nmm) structure for the heavier R ( R = Gd-Tm, Lu, Y). Here we report the results of neutron diffraction, magnetization and heat capacity measurements on some of these compounds ( R = Ce, Pr, Nd, Gd and Tb). Band structure calculations have also been performed on CeScSb and GdScGe (CeScSi-type), and on GdScSb and TbScSb (CeFeSi-type) to compare and understand the exchange interactions in CeScSi and CeFeSi structure types. The neutron diffraction investigation shows that all five compounds order magnetically, with the highest transition temperature of 66 K in TbScSb and the lowest of about 9 K in CeScSb. The magnetic ground state is simple ferromagnetic (τ = [0 0 0]) in CeScSb, as well in NdScSb for 32 >T > 22 K. Below 22 K a second magnetic transition, with propagation vector τ = [¼ ¼ 0], appears in NdScSb. PrScSb has a magnetic structure within, determined by mostly ferromagnetic interactions and antiferromagnetic alignment of the Pr-sites connected through the I-centering ( τ = [1 0 0]). A cycloidal spiral structure with a temperature dependent propagation vector τ = [δ δ ½] is found in TbScSb. The results of magnetization and heat capacity lend support to the main conclusions derived from neutron diffraction. As inferred from a sharp peak in magnetization, GdScSb orders antiferromagnetically at 56 K. First principles calculations show lateral shift of spin split bands towards lower energy from the Fermi level as the CeScSi-type structure changes to the CeFeSi-type structure. This rigid shift may force the system to transform from exchange split ferromagnetic state to the antiferromagnetic state in RScSb compounds (as seen for example in GdScSb and TbScSb) and is proposed to

  11. Determination of Hf, Sc and Y in geological samples together with the rare-earth elements

    International Nuclear Information System (INIS)

    Lihareva, N.; Delaloye, M.

    1997-01-01

    A method is described for the determination of Hf, Sc and Y simultaneously with the REE in geological materials. An earlier method for REE separation from major elements was studied with the aim to apply it also to the determination of Hf, Sc and Y. Sample decomposition was carried out by melting with LiBO 2 . The method involves separation and concentration stages, using the cation-exchange resin DOWEX AG 50W-X8. Matrix elements were eluted with 2 mol/l HCl, whereas 6 mol/l HNO 3 with oxalic acid and 8 mol/l HNO 3 were used to elute the elements to be determined. Some of the matrix elements could not be completely removed. This effect as well as the recovery rates of the determined elements were investigated. The measurements were performed by ICP-AES. Spectral interferences were also tested. (orig.). With 1 tab

  12. A continuum model for the anisotropic creep of single crystal nickel-based superalloys

    International Nuclear Information System (INIS)

    Prasad, Sharat C.; Rajagopal, K.R.; Rao, I.J.

    2006-01-01

    In this paper, we extend the constitutive theory developed by Prasad et al. [Prasad SC, Rao IJ, Rajagopal KR. A continuum model for the creep of single crystal nickel-base superalloys. Acta Mater 2005;53(3):669-79], to describe the creep anisotropy associated with crystallographic orientation in single crystal nickel-based superalloys. The constitutive theory is cast within a general thermodynamic framework that has been developed to describe the response of materials capable of existing in multiple stress free configurations ('natural configurations'). Central to the theory is the prescription of the forms for the stored energy and rate of dissipation functions. The stored energy reflects the fact that the elastic response exhibits cubic symmetry. The model takes into account the fact that the symmetry of single crystals does not change with inelastic deformation. The rate of dissipation function is also chosen to be anisotropic, in that it reflects invariance to transformations that belong to the cubic symmetry group. The model is used to simulate uniaxial creep of single crystal nickel-based superalloy CMSX-4 for loading along the , and orientations. The predictions of the theory agree well with the experimental data

  13. Lifetime and g-factor measurements in 44Sc

    International Nuclear Information System (INIS)

    Chevallier, A.; Chavallier, J.; Gross, J.L.; Haas, B.; Schulz, N.; Styczen, J.; Toulemonde, M.

    1975-01-01

    The lifetimes of the 235 keV, 2 - state and 350 keV, 4 + state in 44 Sc have been measured via the 44 Ca(p, n) 44 Sc reaction with a pulsed proton beam. The time integral perturbed angular distribution technique with an external field was used to measure the precession angles of the 2 - and 4 + states populated by the 30 Si( 16 O, pnγ) 44 Sc reaction. The following values for the mean-lives and g-factors were obtained: π(2 - ) = 8.83(33) ns, g(2 - ) = 0.30(13) and π(4 + ) = 4.52(27)ns, g(4 + ) = 0.90(12). The results for the 2 - state support a rotational description of the negative parity states in 44 Sc. The magnetic moment of the 4 + state is compared to shell model predictions. (orig.) [de

  14. Design of SC walls and slabs for impulsive loading

    Energy Technology Data Exchange (ETDEWEB)

    Varma, Amit H. [Purdue Univ., West Lafayette, IN (United States)

    2015-11-11

    Reinforced concrete (RC) structures have historically been the preferred choice for blast resistant structures because of their mass and the ductility provided by steel reinforcement. Steel-plate composite (SC) walls are a viable alternative to RC for protecting the infrastructure against explosive threats. SC structures consist of two steel faceplates with a plain concrete core between them. The steel faceplates are anchored to the concrete using stud anchors and connected to each other using tie bars. SC structures provide mass from the concrete infill and ductility from the continuous external steel faceplates. This dissertation presents findings and recommendations from experimental and analytical investigations of the performance of SC walls subjected to far-field blast loads.

  15. The data acquisition system (DAS) for the improved CERN SC

    CERN Document Server

    Beger, H; Fiebig, A; Schroot, H

    1975-01-01

    A digital data acquisition system (DAS) based on a minicomputer is described which registers the failure sequences in various equipment areas of the CERN synchrocyclotron (henceforward referred to as the SC). The avalanches of failure signals which occur from time to time are tapped from the alarm/security systems, time-resolved to 10 msec and recorded on a printer in order to aid SC failure diagnosis. The mechanisms of the DAS and its relation to the SC equipment are explained in some detail. All programs were constructed at assembler language level for speed and for ease of on-line program maintenance. The alarm sequences recorded have been of considerable help during the running in of the new radiofrequency system. Now that the new SC is operational, the DAS furnishes useful data from several equipment areas to the operators and engineers.

  16. Cytogenetic diagnosis of Roberts SC phocomelia syndrome: First ...

    African Journals Online (AJOL)

    Tahir M. Malla

    2015-07-14

    /licenses/by-nc-nd/4.0/). 1. Introduction. Roberts SC phocomelia syndrome is an autosomal recessive developmental disorder characterized by pre and postnatal growth retardation, microcephaly, craniofacial anomalies,.

  17. Crystallization mechanisms of acicular crystals

    Science.gov (United States)

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

    2008-01-01

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

  18. Modeling liquid crystal polymeric devices

    Science.gov (United States)

    Gimenez Pinto, Vianney Karina

    The main focus of this work is the theoretical and numerical study of materials that combine liquid crystal and polymer. Liquid crystal elastomers are polymeric materials that exhibit both the ordered properties of the liquid crystals and the elastic properties of rubbers. Changing the order of the liquid crystal molecules within the polymer network can induce shape change. These materials are very valuable for applications such as actuators, sensors, artificial muscles, haptic displays, etc. In this work we apply finite element elastodynamics simulations to study the temperature induced shape deformation in nematic elastomers with complex director microstructure. In another topic, we propose a novel numerical method to model the director dynamics and microstructural evolution of three dimensional nematic and cholesteric liquid crystals. Numerical studies presented in this work are in agreement with experimental observations and provide insight into the design of application devices.

  19. Development of SC structure modularization in Nuclear Power Plant

    International Nuclear Information System (INIS)

    Mun, Taeyoup

    2008-01-01

    New Focus on NPP are Rising Concerns on Global Warming, Potential energy crisis (geo-political), Improved reliability and safety of nuclear power plant, Advent of Generation 3+ NPP technology and Economical Energy Resource. New NPPs are 6 units in Korea and 23 in Asia being built, 32 units being planned in China by 2020 (150 by 2050), 10 units being planned in US by 2020 and IAEA expects $200 billions on NPP construction next 25 years (up to 30% of total world energy). □ SC(Steel Plate Concrete) structure · Steel Plate is used as a Structural Element instead of Reinforcing Bars in RC · SC structure consists of Steel Plate with Headed Studs. Connected by Tie-bars - The Primary Purpose of Tie-bars is to Stiffen and Hold Together the Plates during Construction Process - Headed Studs are Welded to the Inside of Steel Plate for composite action □ Benefits of SC Structure · Shorten Construction Duration for Re bar, Forming and Scaffolding Works · Minimize Site Labors · Improve the Construction Quality · Enable Construction Sites to be kept Clean □ SC Modularization · Fit for Modular Construction for Structural Features · Fit for Modular Construction for Structural Features · Inattentively Effective for Integrated Modules · Pre-fabrication, Pre-assembly and Modularization □ Project Overview · Project Name: Development of SC structure for Modularization in NPP · Project Type: Electric Power Industry R and D (Ministry of Knowledge Economy) · Duration: Sep. 2005 ∼ Aug. 2008 (36 Months) · Research Team and Scopes - Project Management: Korea Hydro and Nuclear Power Company (KHNP) - Development of Code and Standards for SC Structure: Korea Society of Steel Construction (KSSC) Korea Electric Power Research Institute (KEPRI) - Development of SC Structural Analysis and Design: Korea Power Engineering Company (KOPEC) - Development of Construction Techniques for SC Modularization: KHNP, Korea Institute of Nuclear Safety(KINS), KOPEC □ Performance

  20. Ionic conductivity of Ca and Mg doped NdGdZr1.95Sc0.05O7

    International Nuclear Information System (INIS)

    Anithakumari, P.; Mandal, B.P.; Grover, V.; Tyagi, A.K.; Mishra, A.K.

    2014-01-01

    The ionic conductivity of pyrochlore based materials makes them promising candidates for fuel-cell applications where high ionic conductivity and low activation energy are desired. Earlier it has been reported that 5%Sc doped GdNdZr 2 O 7 shows highest ionic conductivity. In this present work, an attempt has been made to further increase the oxygen vacancy concentration by the incorporation of Ca 2+ and Mg 2+ ions at A site of NdGdZr 1.95 Sc 0.05 O 7 (NGZS)

  1. Growth, spectral and optical characterization of a novel nonlinear optical organic material: D-Alanine DL-Mandelic acid single crystal

    Science.gov (United States)

    Jayaprakash, P.; Mohamed, M. Peer; Caroline, M. Lydia

    2017-04-01

    An organic nonlinear optical single crystal, D-alanine DL-mandelic acid was synthesized and successfully grown by slow evaporation solution growth technique at ambient temperature using solvent of aqueous solution. The unit cell parameters were assessed from single crystal X-ray diffraction analysis. The presence of diverse functional groups and vibrational modes were identified using Fourier Transform Infra Red and Fourier Transform Raman spectral analyses. The chemical structure of grown crystal has been identified by Nuclear Magnetic Resonance spectroscopic study. Ultraviolet-visible spectral analysis reveal that the crystal has lower cut-off wavelength down to 259 nm, is a key factor to exhibit second harmonic generation signal. The electronic optical band gap and Urbach energy is calculated as 5.31 eV and 0.2425 eV respectively from the UV absorption profile. The diverse optical properties such as, extinction coefficient, reflectance, linear refractive index, optical conductivity was calculated using UV-visible data. The relative second harmonic efficiency of the compound is found to be 0.81 times greater than that of KH2PO4 (KDP). The thermal stability of the grown crystal was studied by thermogravimetric analysis and differential thermal analysis techniques. The luminescence spectrum exhibited two peaks (520 nm, 564 nm) due to the donation of protons from carboxylic acid to amino group. The Vickers microhardness test was carried out employing one of the as-grown hard crystal and there by hardness number (Hv), Meyer's index (n), yield strength (σy), elastic stiffness constant (C11) and Knoop hardness number (HK) were assessed. The dielectric behaviour of the as-grown crystal was analyzed for different temperatures (313 K, 333 K, 353 K, and 373 K) at different frequencies.

  2. Electrochemical Characterization of Ni/(Sc)YSZ Electrodes

    DEFF Research Database (Denmark)

    Ramos, Tania; Thydén, Karl Tor Sune; Mogensen, Mogens Bjerg

    2010-01-01

    Investigations of Ni/(Sc)YSZ cermets for solid oxide cells (SOCs) were performed by electrochemical impedance spectroscopy (EIS), under varying experimental conditions and upon redox cycling, using three different designs of symmetric cells. The deconvolution and fitting of the obtained impedance...... parameters. Initial degradation results for both Ni/ScYSZ and Ni/YSZ based anodes under very high steam content are also reported. ©2010 COPYRIGHT ECS - The Electrochemical Society...

  3. Mathematical models of some geomagnetic storms with SC

    International Nuclear Information System (INIS)

    Ivanova, P.K.

    1990-01-01

    Regressive equations for H horizontal component of three geomagnetic storms with Sc:0.1.03.82, 24.01.74 and 23.03.69 -are calculated using step-by-step regression analysis. These equations relate H with parameters of solar wind and interplanetary magnetic field. Nonlinear, square, logarithmic and trigonometric dependences are considered, as well. Most essential parameters, which contribute mostly into Sc, are determined from multiplicity (46 factors) of independent parameters

  4. Photonic-crystal fibers gyroscope

    Directory of Open Access Journals (Sweden)

    Ali Muse Haider

    2015-01-01

    Full Text Available In this paper we proposed to use of a photonic crystal fiber with an inner hollow defect. The use of such fibers is not affected by a material medium on the propagation of optical radiation. Photonic crystal fibers present special properties and capabilities that lead to an outstanding potential for sensing applications

  5. Chromatic dispersion of liquid crystal infiltrated capillary tubes and photonic crystal fibers

    DEFF Research Database (Denmark)

    Rasmussen, Per Dalgaard; Lægsgaard, Jesper; Bang, Ole

    2006-01-01

    We consider chromatic dispersion of capillary tubes and photonic crystal fibers infiltrated with liquid crystals. A perturbative scheme for inclusion of material dispersion of both liquid crystal and the surrounding waveguide material is derived. The method is used to calculate the chromatic...

  6. Liquid crystal display

    International Nuclear Information System (INIS)

    Takami, K.

    1981-01-01

    An improved liquid crystal display device is described which can display letters, numerals and other necessary patterns in the night time using a minimized amount of radioactive material. To achieve this a self-luminous light source is placed in a limited region corresponding to a specific display area. (U.K.)

  7. WORKSHOP: Scintillating crystals

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1992-12-15

    Scintillating crystals are one of the big spinoff success stories of particle physics, and from 22-26 September an international workshop in Chamonix in the French Alps looked at the increasing role of these materials in pure and applied science and in industry.

  8. Positrons in ionic crystals

    International Nuclear Information System (INIS)

    Pareja, R.

    1988-01-01

    Positron annihilation experiments in ionic crystals are reviewed and their results are arranged. A discussion about the positron states in these materials is made in the light of these results and the different proposed models. The positronium in alkali halides is specially considered. (Author)

  9. WORKSHOP: Scintillating crystals

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    Scintillating crystals are one of the big spinoff success stories of particle physics, and from 22-26 September an international workshop in Chamonix in the French Alps looked at the increasing role of these materials in pure and applied science and in industry

  10. Superconductivity in ternary rare earth transition metal silicides and germanides with the Sc5Co4Si10-type structure

    International Nuclear Information System (INIS)

    Berg, L.S.

    1986-01-01

    A systematic study of the superconducting and normal state properties of some ternary rare earth transition metal silicides and germanides of the Sc 5 Co 4 Si 10 0-type is reported. Low temperature heat capacity measurements indicate the presence of a complicated phonon density of states in these structurally complex compounds. A better description of the phonon spectrum of the high T/sub c/ materials Sc 5 Rh 4 Si 10 , Sc 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10 , given by a model proposed by Junod et al., is presented and discussed. The large values of ΔC/γ/sub n/T/sub c/ and the electron-phonon coupling constant for these high T/sub c/ compounds indicate that they are strong-coupled superconductors. Relative to other ternary superconductors, many of these materials have large Debye temperatures. DC electrical resistivity measurements on these compounds show resistivity behavior deviating from those exhibited by simple metals. The rho(T) data for Y 5 Ir 4 Si 10 , Lu 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10 , indicate the presence of anomalies. Static molar magnetic susceptibility measurements performed on these compounds indicate (1) a small effective magnetic moment of 0.26μ/sub B/ on the Co atom and (2) anomalous behaviors in the Lu 5 Rh 4 Si 10 , Lu 5 Ir 4 Si 10 , Y 5 Ir 4 Si 10 , Lu 5 Ir 4 Ge 10 , and Y 5 Rh 4 Ge 10 data. Lastly, upper critical magnetic field measurements were performed on Sc 5 Co 4 Si 10 , Sc 5 Rh 4 Si 10 , Sc 5 Ir 4 Si 10 , Lu 5 Rh 4 Si 10 , Lu 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10

  11. Theoretical studies of the dependence of EPR parameters on local structure for the tetragonal Er(3+) centres in YVO4 and ScVO4.

    Science.gov (United States)

    Chai, Rui-Peng; Hao, Dan-Hui; Kuang, Xiao-Yu; Liang, Liang

    2015-11-05

    The dependences of the EPR parameters on the local distortion parameters Δθ and ΔR as well as the crystal-field parameters have been studied by diagonalizing the 364×364 complete energy matrices for a tetragonal Er(3+) centre in the YVO4 and ScVO4 crystals. The results show that the local distortion angle Δθ and the fourth-order crystal-field parameter Ā4 are most sensitive to the EPR g-factors g// and g⊥, whereas the local distortion length ΔR and the second-order parameter Ā2 are less sensitive to the g-factors. Furthermore, we found that the abnormal EPR g-factors for the Er(3+) ion in the ScVO4 may be ascribed to the stronger nephelauxetic effect and covalent bonding effect, as a result of an expanded local distortion for the Er(3+) centre in the ScVO4 crystal. Simultaneously, the contributions of the J-J mixing effects from the terms of excited states to the EPR parameters have been evaluated quantitatively. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Hydroxyurea decreases hospitalizations in pediatric patients with Hb SC and Hb SB+ thalassemia

    Directory of Open Access Journals (Sweden)

    Lebensburger JD

    2015-12-01

    Full Text Available Jeffrey D Lebensburger, Rakeshkumar J Patel, Prasannalaxmi Palabindela, Christina J Bemrich-Stolz, Thomas H Howard, Lee M HilliardDivision of Pediatric Hematology Oncology, University of Alabama at Birmingham, Birmingham, AL, USAPurpose: Patients with hemoglobin SC (Hb SC and hemoglobin SB+ (Hb SB+ thalassemia suffer from frequent hospitalizations yet strong evidence of a clinical benefit of hydroxyurea (HU in this population is lacking. Patients with recurrent hospitalizations for pain crisis are offered HU at our institution based on small cohort data and anecdotal benefit. This study identifies outcomes from a large cohort of patients with Hb SC and SB+ thalassemia who were treated with HU for 2 years.Materials and methods: A retrospective review was conducted of 32 patients with Hb SC and SB+ thalassemia who were treated with HU. We reviewed the number, and reasons for hospitalization in the 2 years prior to, and 2 years post-HU treatment as well as laboratory changes from baseline, over 1 year.Results: Patients with Hb SC and SB+ thalassemia started on HU for frequent pain, had a significant reduction in hospitalizations over 2 years as compared to the 2 years prior to HU initiation (mean total hospitalizations/year: pre-HU: 1.6 vs post-HU 0.4 hospitalizations, P<0.001; mean pain hospitalizations/year: pre-HU 1.5 vs post-HU 0.3 hospitalizations, P<0.001. Patients demonstrated hematologic changes including an increase in percent fetal hemoglobin (%HbF pre–post HU (4.5% to 7.7%, P=0.002, mean corpuscular volume (74 to 86 fL, P<0,0001, and decrease in absolute neutrophil count (5.0 to 3.2×109/L, P=0.007. Patients with higher doses of HU demonstrated the greatest reduction in hospitalizations but this was unrelated to absolute neutrophil count.Conclusion: This cohort of patients with Hb SC and SB+ thalassemia provides additional support for using HU in patients with recurrent hospitalizations for pain. A large randomized multicenter trial of

  13. SYNTHESIS, CHARACTERIZATION, AND CRYSTAL STRUCTURE ...

    African Journals Online (AJOL)

    a

    KEY WORDS: Barium, Crystal structure, 2,6-Pyridinedicarboxylic acid .... The rational design of novel metal-organic frameworks has attracted great ..... Bond, A.D.; Jones, W. Supramolecular Organization and Materials Design, Jones, W.; Rao,.

  14. New Ce{sup 3+} doped Ca{sub 2}YMgScSi{sub 3}O{sub 12} garnet ceramic phosphor for white LED converters

    Energy Technology Data Exchange (ETDEWEB)

    Khaidukov, N. [Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow (Russian Federation); Zorenko, Yu.; Zorenko, T.; Iskaliyeva, A.; Paprocki, K. [Institute of Physics, Kazimierz Wielki University Bydgoszcz (Poland); Zhydachevskii, Y.; Suchocki, A. [Institute of Physics, Polish Academy of Sciences, Warsaw (Poland); Deun, R. van [L3 - Luminescent Lanthanide Lab, Department of Inorganic and Physical Chemistry, Ghent University (Belgium); Batentschuk, M. [Department of Materials Science and Engineering VI, Institute of Materials for Energy and Electronic Technology (i-IMEET), University of Erlangen-Nuremberg, Erlangen (Germany)

    2017-05-15

    The results on crystallization and investigation of the luminescent properties of a new prospective ceramic phosphor based on the Ce{sup 3+} doped Ca{sub 2}YMgScSi{sub 3}O{sub 12} silicate garnet are presented for the first time in this work. The luminescent properties of Ca{sub 2}YMgScSi{sub 3}O{sub 12}:Ce were compared with the properties of the reference Ca{sub 3}Sc{sub 2}Si{sub 3}O{sub 12}:Ce ceramic sample. Without any doubt, the results of this research can be suitable for the development of a new generation of white converters based on the Ca{sup 2+}-Si{sup 4+} garnet compounds. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Investigating the large degeneracy Kondo lattice metamagnet CeTiGe: Crystal growth and doping studies

    Energy Technology Data Exchange (ETDEWEB)

    Gruner, T.; Caroca-Canales, N.; Deppe, M.; Geibel, C. [MPI fuer Chemische Physik fester Stoffe, 01187, Dresden (Germany); Sereni, J. [Centro Atomico Bariloche, 8400, S. C. de Bariloche (Argentina)

    2011-07-01

    CeTiGe is a paramagnetic Kondo lattice system with a large orbital degeneracy involved in the formation of the heavy Fermion ground state. Recently we discovered that this compound presents a huge metamagnetic transition at B{sub MMT} {approx} 13 T, with much larger anomalies in magnetization, magnetoresistance and magnetostriction than in the archetypical Kondo lattice metamagnet CeRu{sub 2}Si{sub 2}. Since CeTiGe forms in a pronounced peritectic reaction the growth of single crystals is difficult. We therefore studied the Ce-Ti-Ge ternary metallographic phase diagram to get a sound basis for future crystal growth attempts. Preliminary results of growth experiments based on these studies are promising and shall be discussed. Furthermore, Ti-rich CeTiGe was recently reported to present a high temperature phase crystallizing in the closely related CeScSi structure type. In order to study this structural instability and the effect on the physical properties, we studied the effect of substituting Sc for Ti, since pure CeScGe crystallizes in the CeScSi structure type. In well annealed samples we observed a two phase region in the range 10% - 25%-Sc-substitution. Preliminary investigations of the CeSc{sub x}Ti{sub 1-x}Ge alloy suggest it is a promising candidate for the observation of a ferromagnetic quantum critical point in a large degeneracy Kondo lattice system.

  16. EMP Attachment 3 DOE-SC PNNL Site Dose Assessment Guidance

    Energy Technology Data Exchange (ETDEWEB)

    Snyder, Sandra F.

    2011-12-21

    This Dose Assessment Guidance (DAG) describes methods to use to determine the Maximally-Exposed Individual (MEI) location and to estimate dose impact to that individual under the U.S. Department of Energy Office of Science (DOE-SC) Pacific Northwest National Laboratory (PNNL) Site Environmental Monitoring Plan (EMP). This guidance applies to public dose from radioactive material releases to the air from PNNL Site operations. This document is an attachment to the Pacific Northwest National Laboratory (PNNL) Environmental Monitoring Plan (EMP) and describes dose assessment guidance for radiological air emissions. The impact of radiological air emissions from the U.S. Department of Energy Office of Science (DOE-SC) PNNL Site is indicated by dose estimates to a maximally exposed member of the public, referred to as the maximally exposed individual (MEI). Reporting requirements associated with dose to members of the public from radiological air emissions are in 40 CFR Part 61.94, WAC 246-247-080, and DOE Order 458.1. The DOE Order and state standards for dose from radioactive air emissions are consistent with U.S. Environmental Protection Agency (EPA) dose standards in 40 CFR 61.92 (i.e., 10 mrem/yr to a MEI). Despite the fact that the current Contract Requirements Document (CRD) for the DOE-SC PNNL Site operations does not include the requirement to meet DOE CRD 458.1, paragraph 2.b, public dose limits, the DOE dose limits would be met when EPA limits are met.

  17. Localized Symmetry Breaking for Tuning Thermal Expansion in ScF 3 Nanoscale Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Lei [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States; Qin, Feiyu [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Sanson, Andrea [Department of Physics and Astronomy, University of Padova, Padova I-35131, Italy; Huang, Liang-Feng [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States; Pan, Zhao [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Li, Qiang [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Sun, Qiang [International Laboratory for Quantum Functional Materials of Henan, School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001, China; Wang, Lu [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Guo, Fangmin [X-Ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States; Aydemir, Umut [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States; Department of Chemistry, Koc University, Sariyer, Istanbul 34450, Turkey; Ren, Yang [X-Ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States; Sun, Chengjun [X-Ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States; Deng, Jinxia [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Aquilanti, Giuliana [Elettra Sincrotrone Trieste, Basovizza, Trieste I-34149, Italy; Rondinelli, James M. [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States; Chen, Jun [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Xing, Xianran [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China

    2018-03-15

    The local symmetry, beyond the averaged crystallographic structure, tends to bring unu-sual performances. Negative thermal expansion is a peculiar physical property of solids. Here, we report the delicate design of the localized symmetry breaking to achieve the controllable thermal expansion in ScF3 nano-scale frameworks. Intriguingly, an isotropic zero thermal expansion is concurrently engi-neered by localized symmetry breaking, with a remarkably low coefficient of thermal expansion of about +4.0×10-8/K up to 675K. This mechanism is investigated by the joint analysis of atomic pair dis-tribution function of synchrotron X-ray total scattering and extended X-ray absorption fine structure spectra. A localized rhombohedral distortion presumably plays a critical role in stiffening ScF3 nano-scale frameworks and concomitantly suppressing transverse thermal vibrations of fluorine atoms. This physical scenario is also theoretically corroborated by the extinction of phonon modes with negative Grüneisen parameters in the rhombohedral ScF3. The present work opens an untraditional chemical modification to achieve controllable thermal expansion by breaking local symmetries of materials.

  18. Radiation Damage in Scintillating Crystals

    CERN Document Server

    Zhu Ren Yuan

    1998-01-01

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

  19. Order-disorder reactions in the ferroelectric perovskites Pb(Sc/sub 1/2/Nb/sub 1/2/)O/sub 3/ and Pb(Sc/sub 1/2/Ta/sub 1/2/)O/sub 3/. 2. Relation between ordering and properties

    Energy Technology Data Exchange (ETDEWEB)

    Stenger, C G.F.; Burggraaf, A J [Technische Hogeschool Twente, Enschede (Netherlands)

    1980-10-16

    The ordering of the trivalent and pentavalent cations in the pervoskites Pb(Sc/sub 1/2/Nb/sub 1/2/)O/sub 3/ and Pb(Sc/sub 1/2/Ta/sub 1/2/)O/sub 3/ can be varied by suitable heat treatments. The degree as well as the kind of order strongly affects the character of the FE ..-->.. PE phase transition. A spatially homogeneous disorder leads to a diffuse phase transition whereas a hybrid crystal with a nonhomogeneous disorder shows a sequence of two FE ..-->.. PE transitions.

  20. On new ternary equiatomic scandium transition metal aluminum compounds ScTAl with T = Cr, Ru, Ag, Re, Pt, and Au

    Energy Technology Data Exchange (ETDEWEB)

    Radzieowski, Mathis; Janka, Oliver [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Benndorf, Christopher [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Haverkamp, Sandra [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; University of Sao Paulo, Sao Carlos, SP (Brazil). Inst. of Physics

    2016-08-01

    The new equiatomic scandium transition metal aluminides ScTAl for T = Cr, Ru, Ag, Re, Pt, and Au were obtained by arc-melting of the elements followed by subsequent annealing for crystal growth. The samples were studied by powder and single crystal X-ray diffraction. The structures of three compounds were refined from single crystal X-ray diffractometer data: ScCrAl, MgZn{sub 2} type, P6{sub 3}/mmc, a = 525.77(3), c = 858.68(5) pm, R{sub 1} = 0.0188, wR{sub 2} = 0.0485, 204 F{sup 2} values, 13 variables, ScPtAl, TiNiSi type, Pnma, a = 642.83(4), b = 428.96(2), c = 754.54(5) pm, R{sub 1} = 0.0326, wR{sub 2} = 0.0458, 448 F{sup 2} values, 20 variables and ScAuAl, HfRhSn type, P anti 62c, a = 722.88(4), c = 724.15(4) pm, R{sub 1} = 0.0316, wR{sub 2} = 0.0653, 512 F{sup 2} values, 18 variables. Phase pure samples of all compounds were furthermore investigated by magnetic susceptibility measurements, and Pauli-paramagnetism but no superconductivity was observed down to 2.1 K for all of them. The local structural features and disordering phenomena have been characterized by {sup 27}Al and {sup 45}Sc magic angle spinning (MAS) and static NMR spectroscopic investigations.